Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:26:29 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BiF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 26 7 1013 503 81 Max 43 27 8 1016 520 85 Sum 1345 847 253 32455 16361 2685 bravais-lattice index = 14 lattice parameter (alat) = 7.8317 a.u. unit-cell volume = 339.6657 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 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)= 7.831691 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: /home/autes/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 Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Bi 5.00 208.98040 Bi( 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 0.0000000 0.1018519), wk = 0.0028090 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 -0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518518), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 0.0000000 0.3981482), wk = 0.0028090 k( 45) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0028090 k( 46) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0028090 k( 47) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0028090 k( 48) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0028090 k( 49) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0028090 k( 50) = ( 0.4537037 0.0000000 0.4537037), wk = 0.0028090 k( 51) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0028090 k( 52) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0028090 k( 53) = ( 0.4814815 0.0000000 0.4814815), wk = 0.0028090 k( 54) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0028090 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028090 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028090 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028090 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028090 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028090 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028090 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028090 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028090 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028090 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028090 k( 67) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028090 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028090 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028090 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028090 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028090 k( 72) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434211 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315789), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340426 0.2340426), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553192 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659575 0.2659575), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015152 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795454), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934211 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015152 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028090 k( 347) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028090 k( 348) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028090 k( 349) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028090 k( 350) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028090 k( 351) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028090 k( 352) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028090 k( 353) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028090 k( 354) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028090 k( 355) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028090 k( 356) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 Dense grid: 32455 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 146, 34) NL pseudopotentials 0.06 Mb ( 73, 58) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1015) G-vector shells 0.00 Mb ( 270) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 146, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 58, 2, 34) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./BiF3.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.8 secs Computing kpt #: 30 total cpu time spent up to now is 14.1 secs Computing kpt #: 31 total cpu time spent up to now is 14.4 secs Computing kpt #: 32 total cpu time spent up to now is 14.8 secs Computing kpt #: 33 total cpu time spent up to now is 15.1 secs Computing kpt #: 34 total cpu time spent up to now is 15.4 secs Computing kpt #: 35 total cpu time spent up to now is 15.7 secs Computing kpt #: 36 total cpu time spent up to now is 16.0 secs Computing kpt #: 37 total cpu time spent up to now is 16.3 secs Computing kpt #: 38 total cpu time spent up to now is 16.6 secs Computing kpt #: 39 total cpu time spent up to now is 16.9 secs Computing kpt #: 40 total cpu time spent up to now is 17.2 secs Computing kpt #: 41 total cpu time spent up to now is 17.5 secs Computing kpt #: 42 total cpu time spent up to now is 17.8 secs Computing kpt #: 43 total cpu time spent up to now is 18.1 secs Computing kpt #: 44 total cpu time spent up to now is 18.4 secs Computing kpt #: 45 total cpu time spent up to now is 18.7 secs Computing kpt #: 46 total cpu time spent up to now is 19.0 secs Computing kpt #: 47 total cpu time spent up to now is 19.3 secs Computing kpt #: 48 total cpu time spent up to now is 19.6 secs Computing kpt #: 49 total cpu time spent up to now is 19.9 secs Computing kpt #: 50 total cpu time spent up to now is 20.2 secs Computing kpt #: 51 total cpu time spent up to now is 20.5 secs Computing kpt #: 52 total cpu time spent up to now is 20.8 secs Computing kpt #: 53 total cpu time spent up to now is 21.1 secs Computing kpt #: 54 total cpu time spent up to now is 21.4 secs Computing kpt #: 55 total cpu time spent up to now is 21.7 secs Computing kpt #: 56 total cpu time spent up to now is 22.0 secs Computing kpt #: 57 total cpu time spent up to now is 22.3 secs Computing kpt #: 58 total cpu time spent up to now is 22.6 secs Computing kpt #: 59 total cpu time spent up to now is 22.9 secs Computing kpt #: 60 total cpu time spent up to now is 23.2 secs Computing kpt #: 61 total cpu time spent up to now is 23.5 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.5 secs Computing kpt #: 65 total cpu time spent up to now is 24.8 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.4 secs Computing kpt #: 68 total cpu 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Computing kpt #: 84 total cpu time spent up to now is 30.4 secs Computing kpt #: 85 total cpu time spent up to now is 30.7 secs Computing kpt #: 86 total cpu time spent up to now is 31.0 secs Computing kpt #: 87 total cpu time spent up to now is 31.3 secs Computing kpt #: 88 total cpu time spent up to now is 31.6 secs Computing kpt #: 89 total cpu time spent up to now is 31.9 secs Computing kpt #: 90 total cpu time spent up to now is 32.2 secs Computing kpt #: 91 total cpu time spent up to now is 32.5 secs Computing kpt #: 92 total cpu time spent up to now is 32.8 secs Computing kpt #: 93 total cpu time spent up to now is 33.1 secs Computing kpt #: 94 total cpu time spent up to now is 33.4 secs Computing kpt #: 95 total cpu time spent up to now is 33.7 secs Computing kpt #: 96 total cpu time spent up to now is 34.0 secs Computing kpt #: 97 total cpu time spent up to now is 34.3 secs Computing kpt #: 98 total cpu time spent up to now is 34.6 secs Computing kpt #: 99 total cpu time spent up to now is 34.9 secs Computing kpt #: 100 total cpu time spent up to now is 35.2 secs Computing kpt #: 101 total cpu time spent up to now is 35.5 secs Computing kpt #: 102 total cpu time spent up to now is 35.7 secs Computing kpt #: 103 total cpu time spent up to now is 36.0 secs Computing kpt #: 104 total cpu time spent up to now is 36.3 secs Computing kpt #: 105 total cpu time spent up to now is 36.6 secs Computing kpt #: 106 total cpu time spent up to now is 36.9 secs Computing kpt #: 107 total cpu time spent up to now is 37.2 secs Computing kpt #: 108 total cpu time spent up to now is 37.5 secs Computing kpt #: 109 total cpu time spent up to now is 37.8 secs Computing kpt #: 110 total cpu time spent up to now is 38.1 secs Computing kpt #: 111 total cpu time spent up to now is 38.4 secs Computing kpt #: 112 total cpu time spent up to now is 38.7 secs Computing kpt #: 113 total cpu time spent up to now is 39.0 secs Computing kpt #: 114 total cpu time spent up to now is 39.3 secs Computing kpt #: 115 total cpu time spent up to now is 39.6 secs Computing kpt #: 116 total cpu time spent up to now is 39.9 secs Computing kpt #: 117 total cpu time spent up to now is 40.2 secs Computing kpt #: 118 total cpu time spent up to now is 40.5 secs Computing kpt #: 119 total cpu time spent up to now is 40.8 secs Computing kpt #: 120 total cpu time spent up to now is 41.0 secs Computing kpt #: 121 total cpu time spent up to now is 41.4 secs Computing kpt #: 122 total cpu time spent up to now is 41.7 secs Computing kpt #: 123 total cpu time spent up to now is 42.0 secs Computing kpt #: 124 total cpu time spent up to now is 42.3 secs Computing kpt #: 125 total cpu time spent up to now is 42.6 secs Computing kpt #: 126 total cpu time spent up to now is 42.9 secs Computing kpt #: 127 total cpu time spent up to now is 43.2 secs Computing kpt #: 128 total cpu time spent up to now is 43.5 secs Computing kpt #: 129 total cpu time spent up to now is 43.9 secs Computing kpt #: 130 total cpu time spent up to now is 44.2 secs Computing kpt #: 131 total cpu time spent up to now is 44.6 secs Computing kpt #: 132 total cpu time spent up to now is 45.0 secs Computing kpt #: 133 total cpu time spent up to now is 45.3 secs Computing kpt #: 134 total cpu time spent up to now is 45.7 secs Computing kpt #: 135 total cpu time spent up to now is 46.1 secs Computing kpt #: 136 total cpu time spent up to now is 46.5 secs Computing kpt #: 137 total cpu time spent up to now is 46.8 secs Computing kpt #: 138 total cpu time spent up to now is 47.2 secs Computing kpt #: 139 total cpu time spent up to now is 47.6 secs Computing kpt #: 140 total cpu time spent up to now is 47.9 secs Computing kpt #: 141 total cpu time spent up to now is 48.3 secs Computing kpt #: 142 total cpu time spent up to now is 48.7 secs Computing kpt #: 143 total cpu time spent up to now is 49.0 secs Computing kpt #: 144 total cpu time spent up to now is 49.4 secs Computing kpt #: 145 total cpu time spent up to now is 49.7 secs Computing kpt #: 146 total cpu time spent up to now is 50.1 secs Computing kpt #: 147 total cpu time spent up to now is 50.5 secs Computing kpt #: 148 total cpu time spent up to now is 50.8 secs Computing kpt #: 149 total cpu time spent up to now is 51.2 secs Computing kpt #: 150 total cpu time spent up to now is 51.6 secs Computing kpt #: 151 total cpu time spent up to now is 51.9 secs Computing kpt #: 152 total cpu time spent up to now is 52.3 secs Computing kpt #: 153 total cpu time spent up to now is 52.7 secs Computing kpt #: 154 total cpu time spent up to now is 53.1 secs Computing kpt #: 155 total cpu time spent up to now is 53.5 secs Computing kpt #: 156 total cpu time spent up to now is 54.0 secs Computing kpt #: 157 total cpu time spent up to now is 54.5 secs Computing kpt #: 158 total cpu time spent up to now is 55.0 secs Computing kpt #: 159 total cpu time spent up to now is 55.5 secs Computing kpt #: 160 total cpu time spent up to now is 55.9 secs Computing kpt #: 161 total cpu time spent up to now is 56.3 secs Computing kpt #: 162 total cpu time spent up to now is 56.6 secs Computing kpt #: 163 total cpu time spent up to now is 56.9 secs Computing kpt #: 164 total cpu time spent up to now is 57.2 secs Computing kpt #: 165 total cpu time spent up to now is 57.7 secs Computing kpt #: 166 total cpu time spent up to now is 58.2 secs Computing kpt #: 167 total cpu time spent up to now is 58.8 secs Computing kpt #: 168 total cpu time spent up to now is 59.3 secs Computing kpt #: 169 total cpu time spent up to now is 60.0 secs Computing kpt #: 170 total cpu time spent up to now is 60.5 secs Computing kpt #: 171 total cpu time spent up to now is 61.1 secs Computing kpt #: 172 total cpu time spent up to now is 61.6 secs Computing kpt #: 173 total cpu time spent up to now is 62.2 secs Computing kpt #: 174 total cpu time spent up to now is 62.8 secs Computing kpt #: 175 total cpu time spent up to now is 63.4 secs Computing kpt #: 176 total cpu time spent up to now is 63.9 secs Computing kpt #: 177 total cpu time spent up to now is 64.4 secs Computing kpt #: 178 total cpu time spent up to now is 64.9 secs Computing kpt #: 179 total cpu time spent up to now is 65.5 secs Computing kpt #: 180 total cpu time spent up to now is 66.0 secs Computing kpt #: 181 total cpu time spent up to now is 66.7 secs Computing kpt #: 182 total cpu time spent up to now is 67.4 secs Computing kpt #: 183 total cpu time spent up to now is 68.0 secs Computing kpt #: 184 total cpu time spent up to now is 68.6 secs Computing kpt #: 185 total cpu time spent up to now is 69.3 secs Computing kpt #: 186 total cpu time spent up to now is 70.0 secs Computing kpt #: 187 total cpu time spent up to now is 70.7 secs Computing kpt #: 188 total cpu time spent up to now is 71.3 secs Computing kpt #: 189 total cpu time spent up to now is 71.9 secs Computing kpt #: 190 total cpu time spent up to now is 72.4 secs Computing kpt #: 191 total cpu time spent up to now is 72.9 secs Computing kpt #: 192 total cpu time spent up to now is 73.3 secs Computing kpt #: 193 total cpu time spent up to now is 73.8 secs Computing kpt #: 194 total cpu time spent up to now is 74.3 secs Computing kpt #: 195 total cpu time spent up to now is 74.9 secs Computing kpt #: 196 total cpu time spent up to now is 75.5 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.4 secs Computing kpt #: 198 total cpu time spent up to now is 77.1 secs Computing kpt #: 199 total cpu time spent up to now is 77.7 secs Computing kpt #: 200 total cpu time spent up to now is 78.1 secs Computing kpt #: 201 total cpu time spent up to now is 78.6 secs Computing kpt #: 202 total cpu time spent up to now is 79.1 secs Computing kpt #: 203 total cpu time spent up to now is 79.5 secs Computing kpt #: 204 total cpu time spent up to now is 80.1 secs Computing kpt #: 205 total cpu time spent up to now is 80.5 secs Computing kpt #: 206 total cpu time spent up to now is 80.9 secs Computing kpt #: 207 total cpu time spent up to now is 81.3 secs Computing kpt #: 208 total cpu time spent up to now is 81.7 secs Computing kpt #: 209 total cpu time spent up to now is 82.1 secs Computing kpt #: 210 total cpu time spent up to now is 82.5 secs Computing kpt #: 211 total cpu time spent up to now is 82.9 secs Computing kpt #: 212 total cpu time spent up to now is 83.3 secs Computing kpt #: 213 total cpu time spent up to now is 83.7 secs Computing kpt #: 214 total cpu time spent up to now is 84.1 secs Computing kpt #: 215 total cpu time spent up to now is 84.5 secs Computing kpt #: 216 total cpu time spent up to now is 84.8 secs Computing kpt #: 217 total cpu time spent up to now is 85.2 secs Computing kpt #: 218 total cpu time spent up to now is 85.6 secs Computing kpt #: 219 total cpu time spent up to now is 86.0 secs Computing kpt #: 220 total cpu time spent up to now is 86.3 secs Computing kpt #: 221 total cpu time spent up to now is 86.6 secs Computing kpt #: 222 total cpu time spent up to now is 86.9 secs Computing kpt #: 223 total cpu time spent up to now is 87.2 secs Computing kpt #: 224 total cpu time spent up to now is 87.6 secs Computing kpt #: 225 total cpu time spent up to now is 87.9 secs Computing kpt #: 226 total cpu time spent up to now is 88.2 secs Computing kpt #: 227 total cpu time spent up to now is 88.5 secs Computing kpt #: 228 total cpu time spent up to now is 88.8 secs Computing kpt #: 229 total cpu time spent up to now is 89.0 secs Computing kpt #: 230 total cpu time spent up to now is 89.3 secs Computing kpt #: 231 total cpu time spent up to now is 89.6 secs Computing kpt #: 232 total cpu time spent up to now is 89.9 secs Computing kpt #: 233 total cpu time spent up to now is 90.2 secs Computing kpt #: 234 total cpu time spent up to now is 90.5 secs Computing kpt #: 235 total cpu time spent up to now is 90.7 secs Computing kpt #: 236 total cpu time spent up to now is 91.0 secs Computing kpt #: 237 total cpu time spent up to now is 91.3 secs Computing kpt #: 238 total cpu time spent up to now is 91.6 secs Computing kpt #: 239 total cpu time spent up to now is 91.9 secs Computing kpt #: 240 total cpu time spent up to now is 92.2 secs Computing kpt #: 241 total cpu time spent up to now is 92.4 secs Computing kpt #: 242 total cpu time spent up to now is 92.7 secs Computing kpt #: 243 total cpu time spent up to now is 93.0 secs Computing kpt #: 244 total cpu time spent up to now is 93.3 secs Computing kpt #: 245 total cpu time spent up to now is 93.6 secs Computing kpt #: 246 total cpu time spent up to now is 93.9 secs Computing kpt #: 247 total cpu time spent up to now is 94.2 secs Computing kpt #: 248 total cpu time spent up to now is 94.5 secs Computing kpt #: 249 total cpu time spent up to now is 94.7 secs Computing kpt #: 250 total cpu time spent up to now is 95.0 secs Computing kpt #: 251 total cpu time spent up to now is 95.3 secs Computing kpt #: 252 total cpu time spent up to now is 95.6 secs Computing kpt #: 253 total cpu time spent up to now is 95.9 secs Computing kpt #: 254 total cpu time spent up to now is 96.2 secs Computing kpt #: 255 total cpu time spent up to now is 96.5 secs Computing kpt #: 256 total cpu time spent up to now is 96.7 secs Computing kpt #: 257 total cpu time spent up to now is 97.0 secs Computing kpt #: 258 total cpu time spent up to now is 97.3 secs Computing kpt #: 259 total cpu time spent up to now is 97.6 secs Computing kpt #: 260 total cpu time spent up to now is 97.8 secs Computing kpt #: 261 total cpu time spent up to now is 98.1 secs Computing kpt #: 262 total cpu time spent up to now is 98.4 secs Computing kpt #: 263 total cpu time spent up to now is 98.7 secs Computing kpt #: 264 total cpu time spent up to now is 98.9 secs Computing kpt #: 265 total cpu time spent up to now is 99.2 secs Computing kpt #: 266 total cpu time spent up to now is 99.5 secs Computing kpt #: 267 total cpu time spent up to now is 99.8 secs Computing kpt #: 268 total cpu time spent up to now is 100.1 secs Computing kpt #: 269 total cpu time spent up to now is 100.3 secs Computing kpt #: 270 total cpu time spent up to now is 100.6 secs Computing kpt #: 271 total cpu time spent up to now is 100.9 secs Computing kpt #: 272 total cpu time spent up to now is 101.2 secs Computing kpt #: 273 total cpu time spent up to now is 101.5 secs Computing kpt #: 274 total cpu time spent up to now is 101.7 secs Computing kpt #: 275 total cpu time spent up to now is 102.0 secs Computing kpt #: 276 total cpu time spent up to now is 102.3 secs Computing kpt #: 277 total cpu time spent up to now is 102.6 secs Computing kpt #: 278 total cpu time spent up to now is 102.9 secs Computing kpt #: 279 total cpu time spent up to now is 103.2 secs Computing kpt #: 280 total cpu time spent up to now is 103.5 secs Computing kpt #: 281 total cpu time spent up to now is 103.8 secs Computing kpt #: 282 total cpu time spent up to now is 104.0 secs Computing kpt #: 283 total cpu time spent up to now is 104.3 secs Computing kpt #: 284 total cpu time spent up to now is 104.7 secs Computing kpt #: 285 total cpu time spent up to now is 105.0 secs Computing kpt #: 286 total cpu time spent up to now is 105.3 secs Computing kpt #: 287 total cpu time spent up to now is 105.6 secs Computing kpt #: 288 total cpu time spent up to now is 105.9 secs Computing kpt #: 289 total cpu time spent up to now is 106.3 secs Computing kpt #: 290 total cpu time spent up to now is 106.6 secs Computing kpt #: 291 total cpu time spent up to now is 107.0 secs Computing kpt #: 292 total cpu time spent up to now is 107.3 secs Computing kpt #: 293 total cpu time spent up to now is 107.7 secs Computing kpt #: 294 total cpu time spent up to now is 108.0 secs Computing kpt #: 295 total cpu time spent up to now is 108.4 secs Computing kpt #: 296 total cpu time spent up to now is 108.8 secs Computing kpt #: 297 total cpu time spent up to now is 109.2 secs Computing kpt #: 298 total cpu time spent up to now is 109.6 secs Computing kpt #: 299 total cpu time spent up to now is 109.9 secs Computing kpt #: 300 total cpu time spent up to now is 110.3 secs Computing kpt #: 301 total cpu time spent up to now is 110.7 secs Computing kpt #: 302 total cpu time spent up to now is 111.1 secs Computing kpt #: 303 total cpu time spent up to now is 111.5 secs Computing kpt #: 304 total cpu time spent up to now is 111.9 secs Computing kpt #: 305 total cpu time spent up to now is 112.3 secs Computing kpt #: 306 total cpu time spent up to now is 112.7 secs Computing kpt #: 307 total cpu time spent up to now is 113.1 secs Computing kpt #: 308 total cpu time spent up to now is 113.5 secs Computing kpt #: 309 total cpu time spent up to now is 113.9 secs Computing kpt #: 310 total cpu time spent up to now is 114.3 secs Computing kpt #: 311 total cpu time spent up to now is 114.7 secs Computing kpt #: 312 total cpu time spent up to now is 115.0 secs Computing kpt #: 313 total cpu time spent up to now is 115.4 secs Computing kpt #: 314 total cpu time spent up to now is 115.8 secs Computing kpt #: 315 total cpu time spent up to now is 116.2 secs Computing kpt #: 316 total cpu time spent up to now is 116.5 secs Computing kpt #: 317 total cpu time spent up to now is 116.8 secs Computing kpt #: 318 total cpu time spent up to now is 117.1 secs Computing kpt #: 319 total cpu time spent up to now is 117.4 secs Computing kpt #: 320 total cpu time spent up to now is 117.8 secs Computing kpt #: 321 total cpu time spent up to now is 118.1 secs Computing kpt #: 322 total cpu time spent up to now is 118.4 secs Computing kpt #: 323 total cpu time spent up to now is 118.7 secs Computing kpt #: 324 total cpu time spent up to now is 119.0 secs Computing kpt #: 325 total cpu time spent up to now is 119.3 secs Computing kpt #: 326 total cpu time spent up to now is 119.6 secs Computing kpt #: 327 total cpu time spent up to now is 119.9 secs Computing kpt #: 328 total cpu time spent up to now is 120.1 secs Computing kpt #: 329 total cpu time spent up to now is 120.4 secs Computing kpt #: 330 total cpu time spent up to now is 120.7 secs Computing kpt #: 331 total cpu time spent up to now is 121.0 secs Computing kpt #: 332 total cpu time spent up to now is 121.3 secs Computing kpt #: 333 total cpu time spent up to now is 121.5 secs Computing kpt #: 334 total cpu time spent up to now is 121.8 secs Computing kpt #: 335 total cpu time spent up to now is 122.1 secs Computing kpt #: 336 total cpu time spent up to now is 122.4 secs Computing kpt #: 337 total cpu time spent up to now is 122.7 secs Computing kpt #: 338 total cpu time spent up to now is 123.0 secs Computing kpt #: 339 total cpu time spent up to now is 123.2 secs Computing kpt #: 340 total cpu time spent up to now is 123.5 secs Computing kpt #: 341 total cpu time spent up to now is 123.8 secs Computing kpt #: 342 total cpu time spent up to now is 124.1 secs Computing kpt #: 343 total cpu time spent up to now is 124.4 secs Computing kpt #: 344 total cpu time spent up to now is 124.7 secs Computing kpt #: 345 total cpu time spent up to now is 125.0 secs Computing kpt #: 346 total cpu time spent up to now is 125.3 secs Computing kpt #: 347 total cpu time spent up to now is 125.6 secs Computing kpt #: 348 total cpu time spent up to now is 125.9 secs Computing kpt #: 349 total cpu time spent up to now is 126.2 secs Computing kpt #: 350 total cpu time spent up to now is 126.5 secs Computing kpt #: 351 total cpu time spent up to now is 126.8 secs Computing kpt #: 352 total cpu time spent up to now is 127.1 secs Computing kpt #: 353 total cpu time spent up to now is 127.4 secs Computing kpt #: 354 total cpu time spent up to now is 127.7 secs Computing kpt #: 355 total cpu time spent up to now is 128.0 secs Computing kpt #: 356 total cpu time spent up to now is 128.2 secs ethr = 3.85E-11, avg # of iterations = 26.1 total cpu time spent up to now is 128.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -17.1025 -17.1025 -16.1732 -16.1732 -14.2500 -14.2500 -2.8968 -2.8968 1.5802 1.5802 1.6017 1.6017 1.6017 1.6017 1.9300 1.9300 2.1311 2.1311 2.1311 2.1311 3.4901 3.4901 3.8695 3.8695 3.8695 3.8695 8.3627 8.3627 11.2192 11.2192 11.2192 11.2192 18.3802 18.3802 k = 0.0093-0.0053 0.0076 ( 2077 PWs) bands (ev): -17.1021 -17.1021 -16.1733 -16.1733 -14.2501 -14.2501 -2.8983 -2.8983 1.5790 1.5790 1.5984 1.5984 1.6017 1.6017 1.9310 1.9310 2.1314 2.1314 2.1316 2.1316 3.4926 3.4926 3.8711 3.8711 3.8714 3.8714 8.3618 8.3618 11.2157 11.2157 11.2199 11.2199 18.3814 18.3831 k = 0.0185-0.0107 0.0151 ( 2045 PWs) bands (ev): -17.1009 -17.1009 -16.1735 -16.1735 -14.2506 -14.2506 -2.9026 -2.9026 1.5748 1.5748 1.5889 1.5889 1.6027 1.6027 1.9338 1.9338 2.1322 2.1322 2.1329 2.1329 3.5001 3.5001 3.8757 3.8757 3.8768 3.8768 8.3589 8.3589 11.2054 11.2054 11.2220 11.2220 18.3848 18.3848 k = 0.0278-0.0160 0.0227 ( 2045 PWs) bands (ev): -17.0989 -17.0989 -16.1740 -16.1740 -14.2515 -14.2515 -2.9100 -2.9100 1.5662 1.5662 1.5732 1.5732 1.6056 1.6056 1.9382 1.9382 2.1334 2.1334 2.1351 2.1351 3.5125 3.5125 3.8834 3.8834 3.8858 3.8858 8.3540 8.3540 11.1885 11.1885 11.2255 11.2255 18.3906 18.3906 k = 0.0370-0.0214 0.0302 ( 2037 PWs) bands (ev): -17.0962 -17.0962 -16.1748 -16.1748 -14.2527 -14.2527 -2.9204 -2.9204 1.5519 1.5519 1.5530 1.5530 1.6109 1.6109 1.9439 1.9439 2.1352 2.1352 2.1382 2.1382 3.5295 3.5295 3.8938 3.8938 3.8982 3.8982 8.3471 8.3471 11.1654 11.1654 11.2304 11.2304 18.3987 18.3987 k = 0.0463-0.0267 0.0378 ( 2037 PWs) bands (ev): -17.0926 -17.0926 -16.1758 -16.1758 -14.2542 -14.2542 -2.9336 -2.9336 1.5257 1.5257 1.5358 1.5358 1.6184 1.6184 1.9507 1.9507 2.1375 2.1375 2.1421 2.1421 3.5508 3.5508 3.9070 3.9070 3.9139 3.9139 8.3380 8.3380 11.1367 11.1367 11.2367 11.2367 18.4090 18.4090 k = 0.0556-0.0321 0.0454 ( 2037 PWs) bands (ev): -17.0883 -17.0883 -16.1770 -16.1770 -14.2561 -14.2561 -2.9495 -2.9495 1.4950 1.4950 1.5148 1.5148 1.6279 1.6279 1.9584 1.9584 2.1403 2.1403 2.1469 2.1469 3.5763 3.5763 3.9227 3.9227 3.9328 3.9328 8.3268 8.3268 11.1030 11.1030 11.2443 11.2443 18.4217 18.4217 k = 0.0648-0.0374 0.0529 ( 2037 PWs) bands (ev): -17.0832 -17.0832 -16.1784 -16.1784 -14.2583 -14.2583 -2.9681 -2.9681 1.4604 1.4604 1.4903 1.4903 1.6392 1.6392 1.9667 1.9667 2.1436 2.1436 2.1526 2.1526 3.6055 3.6055 3.9407 3.9407 3.9546 3.9546 8.3133 8.3133 11.0650 11.0650 11.2532 11.2532 18.4367 18.4367 k = 0.0741-0.0428 0.0605 ( 2033 PWs) bands (ev): -17.0774 -17.0774 -16.1800 -16.1800 -14.2609 -14.2609 -2.9893 -2.9893 1.4224 1.4224 1.4628 1.4628 1.6523 1.6523 1.9756 1.9756 2.1473 2.1473 2.1591 2.1591 3.6380 3.6380 3.9607 3.9607 3.9793 3.9793 8.2974 8.2974 11.0236 11.0236 11.2635 11.2635 18.4540 18.4540 k = 0.0833-0.0481 0.0680 ( 2033 PWs) bands (ev): -17.0709 -17.0709 -16.1817 -16.1817 -14.2638 -14.2638 -3.0129 -3.0129 1.3815 1.3815 1.4324 1.4324 1.6671 1.6671 1.9850 1.9850 2.1516 2.1516 2.1664 2.1664 3.6734 3.6734 3.9825 3.9825 4.0066 4.0066 8.2790 8.2790 10.9797 10.9797 11.2749 11.2749 18.4736 18.4736 k = 0.0926-0.0535 0.0756 ( 2025 PWs) bands (ev): -17.0636 -17.0636 -16.1837 -16.1837 -14.2669 -14.2669 -3.0387 -3.0387 1.3380 1.3380 1.3995 1.3995 1.6835 1.6835 1.9947 1.9947 2.1565 2.1565 2.1745 2.1745 3.7114 3.7114 4.0058 4.0058 4.0362 4.0362 8.2580 8.2580 10.9342 10.9342 11.2876 11.2876 18.4955 18.4955 k = 0.1019-0.0588 0.0832 ( 2029 PWs) bands (ev): -17.0556 -17.0556 -16.1859 -16.1859 -14.2704 -14.2704 -3.0668 -3.0668 1.2924 1.2924 1.3643 1.3643 1.7015 1.7015 2.0047 2.0047 2.1619 2.1619 2.1833 2.1833 3.7515 3.7515 4.0304 4.0304 4.0679 4.0679 8.2343 8.2343 10.8878 10.8878 11.3014 11.3014 18.5197 18.5197 k = 0.1111-0.0642 0.0907 ( 2029 PWs) bands (ev): -17.0470 -17.0470 -16.1882 -16.1882 -14.2742 -14.2742 -3.0968 -3.0968 1.2449 1.2449 1.3272 1.3272 1.7211 1.7211 2.0151 2.0151 2.1679 2.1679 2.1929 2.1929 3.7933 3.7933 4.0561 4.0561 4.1016 4.1016 8.2080 8.2080 10.8415 10.8415 11.3164 11.3164 18.5463 18.5463 k = 0.1204-0.0695 0.0983 ( 2029 PWs) bands (ev): -17.0377 -17.0377 -16.1907 -16.1907 -14.2783 -14.2783 -3.1287 -3.1287 1.1960 1.1960 1.2884 1.2884 1.7422 1.7422 2.0257 2.0257 2.1746 2.1746 2.2033 2.2033 3.8363 3.8363 4.0825 4.0825 4.1369 4.1369 8.1791 8.1791 10.7961 10.7961 11.3324 11.3324 18.5751 18.5751 k = 0.1296-0.0748 0.1058 ( 2029 PWs) bands (ev): -17.0278 -17.0278 -16.1934 -16.1934 -14.2827 -14.2827 -3.1622 -3.1622 1.1460 1.1460 1.2481 1.2481 1.7647 1.7647 2.0366 2.0366 2.1819 2.1819 2.2144 2.2144 3.8801 3.8801 4.1095 4.1095 4.1736 4.1736 8.1476 8.1476 10.7522 10.7522 11.3494 11.3494 18.6062 18.6062 k = 0.1389-0.0802 0.1134 ( 2021 PWs) bands (ev): -17.0172 -17.0172 -16.1962 -16.1962 -14.2873 -14.2873 -3.1972 -3.1972 1.0950 1.0950 1.2065 1.2065 1.7885 1.7885 2.0476 2.0476 2.1900 2.1900 2.2261 2.2261 3.9242 3.9242 4.1370 4.1370 4.2115 4.2115 8.1137 8.1137 10.7106 10.7106 11.3674 11.3674 18.6396 18.6396 k = 0.1481-0.0855 0.1210 ( 2021 PWs) bands (ev): -17.0061 -17.0061 -16.1991 -16.1991 -14.2922 -14.2922 -3.2337 -3.2337 1.0433 1.0433 1.1640 1.1640 1.8137 1.8137 2.0589 2.0589 2.1989 2.1989 2.2385 2.2385 3.9683 3.9683 4.1645 4.1645 4.2502 4.2502 8.0776 8.0776 10.6717 10.6717 11.3862 11.3862 18.6753 18.6753 k = 0.1574-0.0909 0.1285 ( 2017 PWs) bands (ev): -16.9944 -16.9944 -16.2022 -16.2022 -14.2974 -14.2974 -3.2713 -3.2713 0.9912 0.9912 1.1207 1.1207 1.8401 1.8401 2.0703 2.0703 2.2087 2.2087 2.2515 2.2515 4.0120 4.0120 4.1921 4.1921 4.2895 4.2895 8.0398 8.0398 10.6360 10.6360 11.4058 11.4058 18.7133 18.7133 k = 0.1667-0.0962 0.1361 ( 2017 PWs) bands (ev): -16.9822 -16.9822 -16.2054 -16.2054 -14.3028 -14.3028 -3.3100 -3.3100 0.9389 0.9389 1.0768 1.0768 1.8676 1.8676 2.0820 2.0820 2.2193 2.2193 2.2651 2.2651 4.0548 4.0548 4.2196 4.2196 4.3288 4.3288 8.0005 8.0005 10.6039 10.6039 11.4261 11.4261 18.7312 18.7312 k = 0.1759-0.1016 0.1436 ( 2017 PWs) bands (ev): -16.9695 -16.9695 -16.2087 -16.2087 -14.3084 -14.3084 -3.3496 -3.3496 0.8865 0.8865 1.0325 1.0325 1.8962 1.8962 2.0938 2.0938 2.2308 2.2308 2.2792 2.2792 4.0965 4.0965 4.2467 4.2467 4.3678 4.3678 7.9605 7.9605 10.5756 10.5756 11.4471 11.4471 18.7410 18.7410 k = 0.1852-0.1069 0.1512 ( 2025 PWs) bands (ev): -16.9564 -16.9564 -16.2121 -16.2121 -14.3142 -14.3142 -3.3900 -3.3900 0.8342 0.8342 0.9880 0.9880 1.9258 1.9258 2.1059 2.1059 2.2431 2.2431 2.2939 2.2939 4.1369 4.1369 4.2734 4.2734 4.4060 4.4060 7.9202 7.9202 10.5513 10.5513 11.4686 11.4686 18.7476 18.7476 k = 0.1944-0.1123 0.1588 ( 2017 PWs) bands (ev): -16.9428 -16.9428 -16.2155 -16.2155 -14.3203 -14.3203 -3.4309 -3.4309 0.7822 0.7822 0.9434 0.9434 1.9564 1.9564 2.1183 2.1183 2.2562 2.2562 2.3090 2.3090 4.1757 4.1757 4.2995 4.2995 4.4426 4.4426 7.8804 7.8804 10.5309 10.5309 11.4907 11.4907 18.7507 18.7507 k = 0.2037-0.1176 0.1663 ( 2009 PWs) bands (ev): -16.9289 -16.9289 -16.2191 -16.2191 -14.3265 -14.3265 -3.4722 -3.4722 0.7306 0.7306 0.8989 0.8989 1.9878 1.9878 2.1311 2.1311 2.2702 2.2702 2.3245 2.3245 4.2128 4.2128 4.3251 4.3251 4.4770 4.4770 7.8418 7.8418 10.5144 10.5144 11.5131 11.5131 18.7501 18.7501 k = 0.2130-0.1230 0.1739 ( 2009 PWs) bands (ev): -16.9146 -16.9146 -16.2227 -16.2227 -14.3328 -14.3328 -3.5138 -3.5138 0.6796 0.6796 0.8546 0.8546 2.0198 2.0198 2.1444 2.1444 2.2850 2.2850 2.3404 2.3404 4.2482 4.2482 4.3498 4.3498 4.5085 4.5085 7.8054 7.8054 10.5019 10.5019 11.5359 11.5359 18.7456 18.7456 k = 0.2222-0.1283 0.1814 ( 2021 PWs) bands (ev): -16.9000 -16.9000 -16.2263 -16.2263 -14.3394 -14.3394 -3.5557 -3.5557 0.6293 0.6293 0.8107 0.8107 2.0525 2.0525 2.1583 2.1583 2.3004 2.3004 2.3567 2.3567 4.2817 4.2817 4.3738 4.3738 4.5363 4.5363 7.7718 7.7718 10.4931 10.4931 11.5589 11.5589 18.7370 18.7370 k = 0.2315-0.1336 0.1890 ( 2021 PWs) bands (ev): -16.8852 -16.8852 -16.2300 -16.2300 -14.3460 -14.3460 -3.5975 -3.5975 0.5797 0.5797 0.7673 0.7673 2.0857 2.0857 2.1729 2.1729 2.3165 2.3165 2.3732 2.3732 4.3134 4.3134 4.3969 4.3969 4.5596 4.5596 7.7419 7.7419 10.4879 10.4879 11.5821 11.5821 18.7241 18.7241 k = 0.2407-0.1390 0.1966 ( 2020 PWs) bands (ev): -16.8701 -16.8701 -16.2337 -16.2337 -14.3528 -14.3528 -3.6392 -3.6392 0.5311 0.5311 0.7245 0.7245 2.1193 2.1193 2.1882 2.1882 2.3331 2.3331 2.3900 2.3900 4.3433 4.3433 4.4191 4.4191 4.5778 4.5778 7.7165 7.7165 10.4860 10.4860 11.6054 11.6054 18.7069 18.7069 k = 0.2500-0.1443 0.2041 ( 2020 PWs) bands (ev): -16.8549 -16.8549 -16.2374 -16.2374 -14.3596 -14.3596 -3.6806 -3.6806 0.4834 0.4834 0.6824 0.6824 2.1533 2.1533 2.2044 2.2044 2.3502 2.3502 2.4069 2.4069 4.3713 4.3713 4.4403 4.4403 4.5903 4.5903 7.6961 7.6961 10.4873 10.4873 11.6286 11.6286 18.6854 18.6854 k = 0.2593-0.1497 0.2117 ( 2020 PWs) bands (ev): -16.8396 -16.8396 -16.2411 -16.2411 -14.3665 -14.3665 -3.7217 -3.7217 0.4369 0.4369 0.6411 0.6411 2.1875 2.1875 2.2216 2.2216 2.3677 2.3677 2.4240 2.4240 4.3976 4.3976 4.4605 4.4605 4.5965 4.5965 7.6815 7.6815 10.4915 10.4915 11.6518 11.6518 18.6595 18.6595 k = 0.2685-0.1550 0.2192 ( 2020 PWs) bands (ev): -16.8242 -16.8242 -16.2448 -16.2448 -14.3735 -14.3735 -3.7622 -3.7622 0.3915 0.3915 0.6007 0.6007 2.2217 2.2217 2.2398 2.2398 2.3855 2.3855 2.4411 2.4411 4.4220 4.4220 4.4798 4.4798 4.5960 4.5960 7.6728 7.6728 10.4983 10.4983 11.6748 11.6748 18.6295 18.6295 k = 0.2778-0.1604 0.2268 ( 2020 PWs) bands (ev): -16.8088 -16.8088 -16.2485 -16.2485 -14.3805 -14.3805 -3.8022 -3.8022 0.3473 0.3473 0.5612 0.5612 2.2559 2.2559 2.2592 2.2592 2.4036 2.4036 2.4583 2.4583 4.4446 4.4446 4.4979 4.4979 4.5888 4.5888 7.6705 7.6705 10.5076 10.5076 11.6976 11.6976 18.5954 18.5954 k = 0.2870-0.1657 0.2344 ( 2028 PWs) bands (ev): -16.7934 -16.7934 -16.2521 -16.2521 -14.3875 -14.3875 -3.8415 -3.8415 0.3045 0.3045 0.5229 0.5229 2.2797 2.2797 2.2900 2.2900 2.4219 2.4219 2.4754 2.4754 4.4653 4.4653 4.5151 4.5151 4.5749 4.5749 7.6745 7.6745 10.5191 10.5191 11.7200 11.7200 18.5575 18.5575 k = 0.2963-0.1711 0.2419 ( 2028 PWs) bands (ev): -16.7782 -16.7782 -16.2556 -16.2556 -14.3945 -14.3945 -3.8800 -3.8800 0.2631 0.2631 0.4857 0.4857 2.3015 2.3015 2.3238 2.3238 2.4403 2.4403 2.4924 2.4924 4.4833 4.4833 4.5312 4.5312 4.5551 4.5551 7.6846 7.6846 10.5325 10.5325 11.7420 11.7420 18.5161 18.5161 k = 0.3056-0.1764 0.2495 ( 2028 PWs) bands (ev): -16.7630 -16.7630 -16.2591 -16.2591 -14.4014 -14.4014 -3.9175 -3.9175 0.2231 0.2231 0.4497 0.4497 2.3246 2.3246 2.3572 2.3572 2.4589 2.4589 2.5093 2.5093 4.4948 4.4948 4.5337 4.5337 4.5463 4.5463 7.7005 7.7005 10.5476 10.5476 11.7635 11.7635 18.4715 18.4715 k = 0.3148-0.1818 0.2570 ( 2036 PWs) bands (ev): -16.7481 -16.7481 -16.2625 -16.2625 -14.4083 -14.4083 -3.9539 -3.9539 0.1847 0.1847 0.4150 0.4150 2.3490 2.3490 2.3901 2.3901 2.4776 2.4776 2.5259 2.5259 4.4802 4.4802 4.5306 4.5306 4.5604 4.5604 7.7218 7.7218 10.5643 10.5643 11.7845 11.7845 18.4241 18.4241 k = 0.3241-0.1871 0.2646 ( 2036 PWs) bands (ev): -16.7335 -16.7335 -16.2659 -16.2659 -14.4151 -14.4151 -3.9893 -3.9893 0.1478 0.1478 0.3816 0.3816 2.3746 2.3746 2.4224 2.4224 2.4963 2.4963 2.5423 2.5423 4.4439 4.4439 4.5420 4.5420 4.5735 4.5735 7.7478 7.7478 10.5822 10.5822 11.8049 11.8049 18.3743 18.3743 k = 0.3333-0.1925 0.2722 ( 2044 PWs) bands (ev): -16.7191 -16.7191 -16.2691 -16.2691 -14.4217 -14.4217 -4.0234 -4.0234 0.1125 0.1125 0.3496 0.3496 2.4015 2.4015 2.4540 2.4540 2.5153 2.5153 2.5583 2.5583 4.3995 4.3995 4.5549 4.5549 4.5856 4.5856 7.7780 7.7780 10.6011 10.6011 11.8246 11.8246 18.3227 18.3227 k = 0.3426-0.1978 0.2797 ( 2036 PWs) bands (ev): -16.7051 -16.7051 -16.2722 -16.2722 -14.4282 -14.4282 -4.0561 -4.0561 0.0788 0.0788 0.3191 0.3191 2.4293 2.4293 2.4846 2.4846 2.5345 2.5345 2.5740 2.5740 4.3498 4.3498 4.5671 4.5671 4.5967 4.5967 7.8115 7.8115 10.6209 10.6209 11.8436 11.8436 18.2696 18.2696 k = 0.3519-0.2031 0.2873 ( 2036 PWs) bands (ev): -16.6915 -16.6915 -16.2752 -16.2752 -14.4345 -14.4345 -4.0875 -4.0875 0.0469 0.0469 0.2900 0.2900 2.4579 2.4579 2.5143 2.5143 2.5544 2.5544 2.5891 2.5891 4.2957 4.2957 4.5784 4.5784 4.6070 4.6070 7.8476 7.8476 10.6414 10.6414 11.8617 11.8617 18.2157 18.2157 k = 0.3611-0.2085 0.2948 ( 2024 PWs) bands (ev): -16.6784 -16.6784 -16.2781 -16.2781 -14.4406 -14.4406 -4.1173 -4.1173 0.0168 0.0168 0.2625 0.2625 2.4865 2.4865 2.5429 2.5429 2.5754 2.5754 2.6038 2.6038 4.2380 4.2380 4.5887 4.5887 4.6164 4.6164 7.8856 7.8856 10.6622 10.6622 11.8791 11.8791 18.1613 18.1613 k = 0.3704-0.2138 0.3024 ( 2036 PWs) bands (ev): -16.6659 -16.6659 -16.2808 -16.2808 -14.4465 -14.4465 -4.1457 -4.1457 -0.0116 -0.0116 0.2366 0.2366 2.5143 2.5143 2.5702 2.5702 2.5985 2.5985 2.6178 2.6178 4.1774 4.1774 4.5979 4.5979 4.6249 4.6249 7.9247 7.9247 10.6832 10.6832 11.8955 11.8955 18.1071 18.1071 k = 0.3796-0.2192 0.3100 ( 2028 PWs) bands (ev): -16.6539 -16.6539 -16.2834 -16.2834 -14.4522 -14.4522 -4.1724 -4.1724 -0.0382 -0.0382 0.2123 0.2123 2.5402 2.5402 2.5962 2.5962 2.6247 2.6247 2.6313 2.6313 4.1143 4.1143 4.6062 4.6062 4.6326 4.6326 7.9642 7.9642 10.7041 10.7041 11.9110 11.9110 18.0536 18.0536 k = 0.3889-0.2245 0.3175 ( 2024 PWs) bands (ev): -16.6426 -16.6426 -16.2858 -16.2858 -14.4575 -14.4575 -4.1974 -4.1974 -0.0629 -0.0629 0.1898 0.1898 2.5631 2.5631 2.6206 2.6206 2.6440 2.6440 2.6550 2.6550 4.0493 4.0493 4.6136 4.6136 4.6396 4.6396 8.0034 8.0034 10.7248 10.7248 11.9255 11.9255 18.0013 18.0013 k = 0.3981-0.2299 0.3251 ( 2024 PWs) bands (ev): -16.6320 -16.6320 -16.2881 -16.2881 -14.4625 -14.4625 -4.2207 -4.2207 -0.0858 -0.0858 0.1688 0.1688 2.5828 2.5828 2.6433 2.6433 2.6563 2.6563 2.6895 2.6895 3.9828 3.9828 4.6201 4.6201 4.6458 4.6458 8.0418 8.0418 10.7451 10.7451 11.9390 11.9390 17.9508 17.9508 k = 0.4074-0.2352 0.3326 ( 2024 PWs) bands (ev): -16.6221 -16.6221 -16.2902 -16.2902 -14.4672 -14.4672 -4.2421 -4.2421 -0.1067 -0.1067 0.1496 0.1496 2.5995 2.5995 2.6629 2.6629 2.6691 2.6691 2.7280 2.7280 3.9154 3.9154 4.6259 4.6259 4.6514 4.6514 8.0787 8.0787 10.7645 10.7645 11.9514 11.9514 17.9026 17.9026 k = 0.4167-0.2406 0.3402 ( 2032 PWs) bands (ev): -16.6130 -16.6130 -16.2921 -16.2921 -14.4716 -14.4716 -4.2617 -4.2617 -0.1257 -0.1257 0.1322 0.1322 2.6139 2.6139 2.6756 2.6756 2.6862 2.6862 2.7697 2.7697 3.8473 3.8473 4.6308 4.6308 4.6562 4.6562 8.1136 8.1136 10.7831 10.7831 11.9627 11.9627 17.8572 17.8572 k = 0.4259-0.2459 0.3478 ( 2032 PWs) bands (ev): -16.6047 -16.6047 -16.2938 -16.2938 -14.4755 -14.4755 -4.2794 -4.2794 -0.1428 -0.1428 0.1165 0.1165 2.6264 2.6264 2.6853 2.6853 2.7036 2.7036 2.8142 2.8142 3.7789 3.7789 4.6351 4.6351 4.6605 4.6605 8.1460 8.1460 10.8004 10.8004 11.9729 11.9729 17.8151 17.8151 k = 0.4352-0.2513 0.3553 ( 2028 PWs) bands (ev): -16.5973 -16.5973 -16.2953 -16.2953 -14.4790 -14.4790 -4.2950 -4.2950 -0.1579 -0.1579 0.1026 0.1026 2.6371 2.6371 2.6937 2.6937 2.7194 2.7194 2.8612 2.8612 3.7106 3.7106 4.6388 4.6388 4.6641 4.6641 8.1756 8.1756 10.8164 10.8164 11.9820 11.9820 17.7767 17.7767 k = 0.4444-0.2566 0.3629 ( 2028 PWs) bands (ev): -16.5909 -16.5909 -16.2967 -16.2967 -14.4822 -14.4822 -4.3087 -4.3087 -0.1710 -0.1710 0.0905 0.0905 2.6463 2.6463 2.7011 2.7011 2.7333 2.7333 2.9105 2.9105 3.6427 3.6427 4.6418 4.6418 4.6672 4.6672 8.2020 8.2020 10.8307 10.8307 11.9899 11.9899 17.7425 17.7425 k = 0.4537-0.2619 0.3704 ( 2032 PWs) bands (ev): -16.5853 -16.5853 -16.2978 -16.2978 -14.4848 -14.4848 -4.3203 -4.3203 -0.1822 -0.1822 0.0803 0.0803 2.6541 2.6541 2.7073 2.7073 2.7452 2.7452 2.9618 2.9618 3.5753 3.5753 4.6443 4.6443 4.6698 4.6698 8.2248 8.2248 10.8432 10.8432 11.9966 11.9966 17.7129 17.7129 k = 0.4630-0.2673 0.3780 ( 2036 PWs) bands (ev): -16.5807 -16.5807 -16.2988 -16.2988 -14.4870 -14.4870 -4.3299 -4.3299 -0.1913 -0.1913 0.0719 0.0719 2.6604 2.6604 2.7124 2.7124 2.7550 2.7550 3.0150 3.0150 3.5088 3.5088 4.6463 4.6463 4.6719 4.6719 8.2438 8.2438 10.8537 10.8537 12.0021 12.0021 17.6882 17.6882 k = 0.4722-0.2726 0.3856 ( 2044 PWs) bands (ev): -16.5772 -16.5772 -16.2995 -16.2995 -14.4888 -14.4888 -4.3374 -4.3374 -0.1984 -0.1984 0.0654 0.0654 2.6652 2.6652 2.7165 2.7165 2.7626 2.7626 3.0697 3.0697 3.4436 3.4436 4.6478 4.6478 4.6734 4.6734 8.2588 8.2588 10.8620 10.8620 12.0064 12.0064 17.6687 17.6687 k = 0.4815-0.2780 0.3931 ( 2044 PWs) bands (ev): -16.5746 -16.5746 -16.3001 -16.3001 -14.4900 -14.4900 -4.3427 -4.3427 -0.2035 -0.2035 0.0607 0.0607 2.6687 2.6687 2.7193 2.7193 2.7681 2.7681 3.1256 3.1256 3.3802 3.3802 4.6489 4.6489 4.6746 4.6746 8.2696 8.2696 10.8681 10.8681 12.0095 12.0095 17.6545 17.6545 k = 0.4907-0.2833 0.4007 ( 2044 PWs) bands (ev): -16.5730 -16.5730 -16.3004 -16.3004 -14.4908 -14.4908 -4.3459 -4.3459 -0.2065 -0.2065 0.0579 0.0579 2.6708 2.6708 2.7211 2.7211 2.7714 2.7714 3.1807 3.1807 3.3207 3.3207 4.6495 4.6495 4.6752 4.6752 8.2762 8.2762 10.8717 10.8717 12.0113 12.0113 17.6460 17.6460 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -16.5725 -16.5725 -16.3005 -16.3005 -14.4910 -14.4910 -4.3470 -4.3470 -0.2075 -0.2075 0.0569 0.0569 2.6715 2.6715 2.7217 2.7217 2.7725 2.7725 3.2164 3.2164 3.2834 3.2834 4.6497 4.6497 4.6755 4.6755 8.2784 8.2784 10.8730 10.8730 12.0120 12.0120 17.6431 17.6431 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -16.5725 -16.5725 -16.3005 -16.3005 -14.4910 -14.4910 -4.3470 -4.3470 -0.2075 -0.2075 0.0569 0.0569 2.6715 2.6715 2.7217 2.7217 2.7725 2.7725 3.2164 3.2164 3.2834 3.2834 4.6497 4.6497 4.6755 4.6755 8.2784 8.2784 10.8730 10.8730 12.0120 12.0120 17.6431 17.6431 k = 0.5000-0.2780 0.4158 ( 2044 PWs) bands (ev): -16.5723 -16.5723 -16.3007 -16.3007 -14.4910 -14.4910 -4.3475 -4.3475 -0.2060 -0.2060 0.0585 0.0585 2.6661 2.6661 2.7168 2.7168 2.7725 2.7725 3.2255 3.2255 3.2822 3.2822 4.6498 4.6498 4.6755 4.6755 8.2788 8.2788 10.8721 10.8721 12.0098 12.0098 17.6450 17.6450 k = 0.5000-0.2673 0.4234 ( 2044 PWs) bands (ev): -16.5716 -16.5716 -16.3014 -16.3014 -14.4910 -14.4910 -4.3490 -4.3490 -0.2014 -0.2014 0.0631 0.0631 2.6457 2.6457 2.7081 2.7081 2.7725 2.7725 3.2503 3.2503 3.2794 3.2794 4.6498 4.6498 4.6756 4.6756 8.2799 8.2799 10.8697 10.8697 12.0032 12.0032 17.6504 17.6504 k = 0.5000-0.2566 0.4309 ( 2044 PWs) bands (ev): -16.5705 -16.5705 -16.3026 -16.3026 -14.4910 -14.4910 -4.3514 -4.3514 -0.1937 -0.1937 0.0708 0.0708 2.6076 2.6076 2.7028 2.7028 2.7724 2.7724 3.2680 3.2680 3.2930 3.2930 4.6497 4.6497 4.6759 4.6759 8.2818 8.2818 10.8658 10.8658 11.9923 11.9923 17.6594 17.6594 k = 0.5000-0.2459 0.4385 ( 2048 PWs) bands (ev): -16.5690 -16.5690 -16.3043 -16.3043 -14.4909 -14.4909 -4.3548 -4.3548 -0.1830 -0.1830 0.0816 0.0816 2.5567 2.5567 2.7004 2.7004 2.7722 2.7722 3.2607 3.2607 3.3371 3.3371 4.6490 4.6490 4.6767 4.6767 8.2844 8.2844 10.8604 10.8604 11.9773 11.9773 17.6718 17.6718 k = 0.5000-0.2352 0.4460 ( 2044 PWs) bands (ev): -16.5670 -16.5670 -16.3064 -16.3064 -14.4909 -14.4909 -4.3591 -4.3591 -0.1694 -0.1694 0.0953 0.0953 2.4978 2.4978 2.6993 2.6993 2.7720 2.7720 3.2494 3.2494 3.3874 3.3874 4.6477 4.6477 4.6782 4.6782 8.2878 8.2878 10.8537 10.8537 11.9583 11.9583 17.6875 17.6875 k = 0.5000-0.2245 0.4536 ( 2042 PWs) bands (ev): -16.5646 -16.5646 -16.3090 -16.3090 -14.4908 -14.4908 -4.3641 -4.3641 -0.1529 -0.1529 0.1118 0.1118 2.4336 2.4336 2.6988 2.6988 2.7718 2.7718 3.2356 3.2356 3.4405 3.4405 4.6453 4.6453 4.6806 4.6806 8.2917 8.2917 10.8458 10.8458 11.9357 11.9357 17.7063 17.7063 k = 0.5000-0.2138 0.4612 ( 2042 PWs) bands (ev): -16.5618 -16.5618 -16.3120 -16.3120 -14.4908 -14.4908 -4.3699 -4.3699 -0.1337 -0.1337 0.1312 0.1312 2.3659 2.3659 2.6986 2.6986 2.7715 2.7715 3.2196 3.2196 3.4949 3.4949 4.6419 4.6419 4.6838 4.6838 8.2963 8.2963 10.8369 10.8369 11.9097 11.9097 17.7279 17.7279 k = 0.5000-0.2031 0.4687 ( 2040 PWs) bands (ev): -16.5586 -16.5586 -16.3155 -16.3155 -14.4907 -14.4907 -4.3764 -4.3764 -0.1119 -0.1119 0.1531 0.1531 2.2957 2.2957 2.6986 2.6986 2.7712 2.7712 3.2015 3.2015 3.5496 3.5496 4.6375 4.6375 4.6877 4.6877 8.3014 8.3014 10.8273 10.8273 11.8807 11.8807 17.7521 17.7521 k = 0.5000-0.1925 0.4763 ( 2040 PWs) bands (ev): -16.5549 -16.5549 -16.3194 -16.3194 -14.4907 -14.4907 -4.3833 -4.3833 -0.0877 -0.0877 0.1776 0.1776 2.2237 2.2237 2.6987 2.6987 2.7709 2.7709 3.1816 3.1816 3.6042 3.6042 4.6321 4.6321 4.6922 4.6922 8.3070 8.3070 10.8172 10.8172 11.8490 11.8490 17.7786 17.7786 k = 0.5000-0.1818 0.4838 ( 2040 PWs) bands (ev): -16.5509 -16.5509 -16.3237 -16.3237 -14.4906 -14.4906 -4.3907 -4.3907 -0.0611 -0.0611 0.2044 0.2044 2.1505 2.1505 2.6989 2.6989 2.7706 2.7706 3.1601 3.1601 3.6581 3.6581 4.6258 4.6258 4.6971 4.6971 8.3130 8.3130 10.8067 10.8067 11.8151 11.8151 17.8071 17.8071 k = 0.5000-0.1711 0.4914 ( 2040 PWs) bands (ev): -16.5465 -16.5465 -16.3283 -16.3283 -14.4905 -14.4905 -4.3985 -4.3985 -0.0324 -0.0324 0.2333 0.2333 2.0764 2.0764 2.6991 2.6991 2.7702 2.7702 3.1373 3.1373 3.7110 3.7110 4.6185 4.6185 4.7023 4.7023 8.3193 8.3193 10.7962 10.7962 11.7792 11.7792 17.8371 17.8371 k = 0.5000-0.1604 0.4990 ( 2032 PWs) bands (ev): -16.5417 -16.5417 -16.3334 -16.3334 -14.4904 -14.4904 -4.4064 -4.4064 -0.0017 -0.0017 0.2642 0.2642 2.0017 2.0017 2.6994 2.6994 2.7698 2.7698 3.1133 3.1133 3.7629 3.7629 4.6102 4.6102 4.7077 4.7077 8.3258 8.3258 10.7858 10.7858 11.7420 11.7420 17.8685 17.8685 k = 0.5000-0.1497 0.5065 ( 2036 PWs) bands (ev): -16.5366 -16.5366 -16.3388 -16.3388 -14.4904 -14.4904 -4.4145 -4.4145 0.0307 0.0307 0.2969 0.2969 1.9267 1.9267 2.6997 2.6997 2.7694 2.7694 3.0884 3.0884 3.8134 3.8134 4.6010 4.6010 4.7132 4.7132 8.3325 8.3325 10.7758 10.7758 11.7038 11.7038 17.9006 17.9006 k = 0.5000-0.1390 0.5141 ( 2032 PWs) bands (ev): -16.5312 -16.5312 -16.3445 -16.3445 -14.4903 -14.4903 -4.4225 -4.4225 0.0645 0.0645 0.3313 0.3313 1.8516 1.8516 2.7000 2.7000 2.7690 2.7690 3.0630 3.0630 3.8625 3.8625 4.5909 4.5909 4.7187 4.7187 8.3393 8.3393 10.7664 10.7664 11.6650 11.6650 17.9332 17.9332 k = 0.5000-0.1283 0.5217 ( 2028 PWs) bands (ev): -16.5254 -16.5254 -16.3506 -16.3506 -14.4902 -14.4902 -4.4305 -4.4305 0.0995 0.0995 0.3670 0.3670 1.7766 1.7766 2.7003 2.7003 2.7686 2.7686 3.0374 3.0374 3.9101 3.9101 4.5797 4.5797 4.7241 4.7241 8.3460 8.3460 10.7578 10.7578 11.6262 11.6262 17.9658 17.9658 k = 0.5000-0.1176 0.5292 ( 2028 PWs) bands (ev): -16.5193 -16.5193 -16.3569 -16.3569 -14.4901 -14.4901 -4.4382 -4.4382 0.1352 0.1352 0.4041 0.4041 1.7019 1.7019 2.7006 2.7006 2.7682 2.7682 3.0119 3.0119 3.9562 3.9562 4.5675 4.5675 4.7294 4.7294 8.3526 8.3526 10.7501 10.7501 11.5878 11.5878 17.9981 17.9981 k = 0.5000-0.1069 0.5368 ( 2030 PWs) bands (ev): -16.5130 -16.5130 -16.3635 -16.3635 -14.4901 -14.4901 -4.4456 -4.4456 0.1712 0.1712 0.4424 0.4424 1.6277 1.6277 2.7008 2.7008 2.7678 2.7678 2.9869 2.9869 4.0006 4.0006 4.5542 4.5542 4.7343 4.7343 8.3589 8.3589 10.7435 10.7435 11.5502 11.5502 18.0295 18.0295 k = 0.5000-0.0962 0.5443 ( 2030 PWs) bands (ev): -16.5064 -16.5064 -16.3704 -16.3704 -14.4900 -14.4900 -4.4527 -4.4527 0.2070 0.2070 0.4820 0.4820 1.5541 1.5541 2.7011 2.7011 2.7674 2.7674 2.9626 2.9626 4.0433 4.0433 4.5398 4.5398 4.7390 4.7390 8.3650 8.3650 10.7379 10.7379 11.5140 11.5140 18.0596 18.0596 k = 0.5000-0.0855 0.5519 ( 2030 PWs) bands (ev): -16.4996 -16.4996 -16.3775 -16.3775 -14.4899 -14.4899 -4.4592 -4.4592 0.2419 0.2419 0.5228 0.5228 1.4815 1.4815 2.7014 2.7014 2.7670 2.7670 2.9395 2.9395 4.0844 4.0844 4.5242 4.5242 4.7434 4.7434 8.3706 8.3706 10.7335 10.7335 11.4796 11.4796 18.0880 18.0880 k = 0.5000-0.0748 0.5595 ( 2034 PWs) bands (ev): -16.4925 -16.4925 -16.3848 -16.3848 -14.4899 -14.4899 -4.4652 -4.4652 0.2752 0.2752 0.5651 0.5651 1.4098 1.4098 2.7016 2.7016 2.7667 2.7667 2.9181 2.9181 4.1237 4.1237 4.5075 4.5075 4.7473 4.7473 8.3758 8.3758 10.7302 10.7302 11.4476 11.4476 18.1143 18.1143 k = 0.5000-0.0642 0.5670 ( 2024 PWs) bands (ev): -16.4853 -16.4853 -16.3922 -16.3922 -14.4898 -14.4898 -4.4704 -4.4704 0.3060 0.3060 0.6089 0.6089 1.3396 1.3396 2.7017 2.7017 2.7664 2.7664 2.8985 2.8985 4.1614 4.1614 4.4896 4.4896 4.7509 4.7509 8.3805 8.3805 10.7278 10.7278 11.4185 11.4185 18.1380 18.1380 k = 0.5000-0.0535 0.5746 ( 2024 PWs) bands (ev): -16.4779 -16.4779 -16.3998 -16.3998 -14.4898 -14.4898 -4.4750 -4.4750 0.3337 0.3337 0.6544 0.6544 1.2709 1.2709 2.7019 2.7019 2.7661 2.7661 2.8813 2.8813 4.1973 4.1973 4.4703 4.4703 4.7539 4.7539 8.3845 8.3845 10.7264 10.7264 11.3927 11.3927 18.1589 18.1589 k = 0.5000-0.0428 0.5821 ( 2016 PWs) bands (ev): -16.4703 -16.4703 -16.4075 -16.4075 -14.4897 -14.4897 -4.4788 -4.4788 0.3575 0.3575 0.7015 0.7015 1.2044 1.2044 2.7020 2.7020 2.7659 2.7659 2.8667 2.8667 4.2316 4.2316 4.4498 4.4498 4.7564 4.7564 8.3879 8.3879 10.7256 10.7256 11.3707 11.3707 18.1764 18.1764 k = 0.5000-0.0321 0.5897 ( 2016 PWs) bands (ev): -16.4627 -16.4627 -16.4152 -16.4152 -14.4897 -14.4897 -4.4819 -4.4819 0.3767 0.3767 0.7497 0.7497 1.1407 1.1407 2.7020 2.7020 2.7657 2.7657 2.8550 2.8550 4.2641 4.2641 4.4280 4.4280 4.7584 4.7584 8.3906 8.3906 10.7252 10.7252 11.3531 11.3531 18.1904 18.1904 k = 0.5000-0.0214 0.5973 ( 2020 PWs) bands (ev): -16.4550 -16.4550 -16.4230 -16.4230 -14.4897 -14.4897 -4.4841 -4.4841 0.3907 0.3907 0.7974 0.7974 1.0818 1.0818 2.7020 2.7020 2.7655 2.7655 2.8465 2.8465 4.2949 4.2949 4.4048 4.4048 4.7598 4.7598 8.3926 8.3926 10.7252 10.7252 11.3401 11.3401 18.2006 18.2006 k = 0.5000-0.0107 0.6048 ( 2024 PWs) bands (ev): -16.4473 -16.4473 -16.4308 -16.4308 -14.4897 -14.4897 -4.4854 -4.4854 0.3993 0.3993 0.8396 0.8396 1.0328 1.0328 2.7020 2.7020 2.7655 2.7655 2.8413 2.8413 4.3237 4.3237 4.3807 4.3807 4.7607 4.7607 8.3937 8.3937 10.7252 10.7252 11.3322 11.3322 18.2068 18.2068 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -16.4414 -16.4414 -16.4367 -16.4367 -14.4897 -14.4897 -4.4859 -4.4859 0.4021 0.4021 0.8595 0.8595 1.0105 1.0105 2.7020 2.7020 2.7654 2.7654 2.8395 2.8395 4.3440 4.3440 4.3618 4.3618 4.7609 4.7609 8.3941 8.3941 10.7253 10.7253 11.3296 11.3296 18.2089 18.2089 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -16.4414 -16.4414 -16.4367 -16.4367 -14.4897 -14.4897 -4.4859 -4.4859 0.4021 0.4021 0.8595 0.8595 1.0105 1.0105 2.7020 2.7020 2.7654 2.7654 2.8395 2.8395 4.3440 4.3440 4.3618 4.3618 4.7609 4.7609 8.3941 8.3941 10.7253 10.7253 11.3296 11.3296 18.2089 18.2089 k = 0.4934 0.0114 0.6124 ( 2024 PWs) bands (ev): -16.4451 -16.4451 -16.4331 -16.4331 -14.4896 -14.4896 -4.4854 -4.4854 0.4009 0.4009 0.8491 0.8491 1.0226 1.0226 2.7015 2.7015 2.7649 2.7649 2.8411 2.8411 4.3316 4.3316 4.3736 4.3736 4.7604 4.7604 8.3937 8.3937 10.7250 10.7250 11.3304 11.3304 18.2090 18.2090 k = 0.4868 0.0228 0.6124 ( 2022 PWs) bands (ev): -16.4502 -16.4502 -16.4283 -16.4283 -14.4894 -14.4894 -4.4840 -4.4840 0.3972 0.3972 0.8244 0.8244 1.0520 1.0520 2.7000 2.7000 2.7635 2.7635 2.8457 2.8457 4.3129 4.3129 4.3903 4.3903 4.7586 4.7586 8.3924 8.3924 10.7244 10.7244 11.3327 11.3327 18.2090 18.2090 k = 0.4803 0.0342 0.6124 ( 2016 PWs) bands (ev): -16.4552 -16.4552 -16.4237 -16.4237 -14.4892 -14.4892 -4.4819 -4.4819 0.3907 0.3907 0.7948 0.7948 1.0901 1.0901 2.6973 2.6973 2.7614 2.7614 2.8530 2.8530 4.2935 4.2935 4.4065 4.4065 4.7555 4.7555 8.3906 8.3906 10.7234 10.7234 11.3364 11.3364 18.2088 18.2088 k = 0.4737 0.0456 0.6124 ( 2016 PWs) bands (ev): -16.4600 -16.4600 -16.4194 -16.4194 -14.4888 -14.4888 -4.4791 -4.4791 0.3816 0.3816 0.7648 0.7648 1.1323 1.1323 2.6931 2.6931 2.7587 2.7587 2.8628 2.8628 4.2741 4.2741 4.4219 4.4219 4.7512 4.7512 8.3882 8.3882 10.7223 10.7223 11.3411 11.3411 18.2082 18.2082 k = 0.4671 0.0570 0.6124 ( 2020 PWs) bands (ev): -16.4647 -16.4647 -16.4154 -16.4154 -14.4884 -14.4884 -4.4757 -4.4757 0.3697 0.3697 0.7364 0.7364 1.1766 1.1766 2.6872 2.6872 2.7558 2.7558 2.8746 2.8746 4.2549 4.2549 4.4363 4.4363 4.7456 4.7456 8.3854 8.3854 10.7210 10.7210 11.3467 11.3467 18.2070 18.2070 k = 0.4605 0.0684 0.6124 ( 2024 PWs) bands (ev): -16.4691 -16.4691 -16.4118 -16.4118 -14.4880 -14.4880 -4.4720 -4.4720 0.3553 0.3553 0.7106 0.7106 1.2222 1.2222 2.6794 2.6794 2.7529 2.7529 2.8883 2.8883 4.2360 4.2360 4.4500 4.4500 4.7389 4.7389 8.3824 8.3824 10.7197 10.7197 11.3531 11.3531 18.2050 18.2050 k = 0.4539 0.0798 0.6124 ( 2024 PWs) bands (ev): -16.4732 -16.4732 -16.4085 -16.4085 -14.4875 -14.4875 -4.4678 -4.4678 0.3386 0.3386 0.6878 0.6878 1.2682 1.2682 2.6697 2.6697 2.7502 2.7502 2.9032 2.9032 4.2178 4.2178 4.4629 4.4629 4.7310 4.7310 8.3793 8.3793 10.7185 10.7185 11.3599 11.3599 18.2021 18.2021 k = 0.4474 0.0912 0.6124 ( 2024 PWs) bands (ev): -16.4771 -16.4771 -16.4055 -16.4055 -14.4870 -14.4870 -4.4634 -4.4634 0.3203 0.3203 0.6681 0.6681 1.3143 1.3143 2.6579 2.6579 2.7477 2.7477 2.9192 2.9192 4.2004 4.2004 4.4751 4.4751 4.7221 4.7221 8.3761 8.3761 10.7173 10.7173 11.3671 11.3671 18.1982 18.1982 k = 0.4408 0.1026 0.6124 ( 2032 PWs) bands (ev): -16.4806 -16.4806 -16.4027 -16.4027 -14.4865 -14.4865 -4.4590 -4.4590 0.3008 0.3008 0.6514 0.6514 1.3597 1.3597 2.6444 2.6444 2.7456 2.7456 2.9356 2.9356 4.1838 4.1838 4.4868 4.4868 4.7123 4.7123 8.3729 8.3729 10.7162 10.7162 11.3743 11.3743 18.1933 18.1933 k = 0.4342 0.1140 0.6124 ( 2032 PWs) bands (ev): -16.4839 -16.4839 -16.4003 -16.4003 -14.4860 -14.4860 -4.4545 -4.4545 0.2808 0.2808 0.6374 0.6374 1.4040 1.4040 2.6295 2.6295 2.7437 2.7437 2.9521 2.9521 4.1684 4.1684 4.4980 4.4980 4.7017 4.7017 8.3698 8.3698 10.7152 10.7152 11.3815 11.3815 18.1876 18.1876 k = 0.4276 0.1253 0.6124 ( 2030 PWs) bands (ev): -16.4868 -16.4868 -16.3982 -16.3982 -14.4855 -14.4855 -4.4502 -4.4502 0.2612 0.2612 0.6257 0.6257 1.4467 1.4467 2.6134 2.6134 2.7422 2.7422 2.9684 2.9684 4.1542 4.1542 4.5088 4.5088 4.6904 4.6904 8.3669 8.3669 10.7144 10.7144 11.3884 11.3884 18.1813 18.1813 k = 0.4211 0.1367 0.6124 ( 2043 PWs) bands (ev): -16.4895 -16.4895 -16.3963 -16.3963 -14.4851 -14.4851 -4.4461 -4.4461 0.2424 0.2424 0.6160 0.6160 1.4872 1.4872 2.5968 2.5968 2.7409 2.7409 2.9838 2.9838 4.1414 4.1414 4.5193 4.5193 4.6787 4.6787 8.3643 8.3643 10.7137 10.7137 11.3949 11.3949 18.1745 18.1745 k = 0.4145 0.1481 0.6124 ( 2043 PWs) bands (ev): -16.4917 -16.4917 -16.3947 -16.3947 -14.4847 -14.4847 -4.4423 -4.4423 0.2251 0.2251 0.6081 0.6081 1.5246 1.5246 2.5801 2.5801 2.7398 2.7398 2.9982 2.9982 4.1301 4.1301 4.5296 4.5296 4.6666 4.6666 8.3619 8.3619 10.7131 10.7131 11.4009 11.4009 18.1677 18.1677 k = 0.4079 0.1595 0.6124 ( 2043 PWs) bands (ev): -16.4937 -16.4937 -16.3934 -16.3934 -14.4843 -14.4843 -4.4390 -4.4390 0.2096 0.2096 0.6018 0.6018 1.5584 1.5584 2.5640 2.5640 2.7389 2.7389 3.0111 3.0111 4.1203 4.1203 4.5399 4.5399 4.6543 4.6543 8.3598 8.3598 10.7126 10.7126 11.4062 11.4062 18.1610 18.1610 k = 0.4013 0.1709 0.6124 ( 2043 PWs) bands (ev): -16.4953 -16.4953 -16.3923 -16.3923 -14.4840 -14.4840 -4.4361 -4.4361 0.1965 0.1965 0.5968 0.5968 1.5877 1.5877 2.5494 2.5494 2.7382 2.7382 3.0222 3.0222 4.1123 4.1123 4.5501 4.5501 4.6421 4.6421 8.3580 8.3580 10.7123 10.7123 11.4107 11.4107 18.1550 18.1550 k = 0.3947 0.1823 0.6124 ( 2045 PWs) bands (ev): -16.4966 -16.4966 -16.3915 -16.3915 -14.4838 -14.4838 -4.4338 -4.4338 0.1860 0.1860 0.5931 0.5931 1.6116 1.6116 2.5369 2.5369 2.7376 2.7376 3.0311 3.0311 4.1059 4.1059 4.5604 4.5604 4.6299 4.6299 8.3567 8.3567 10.7120 10.7120 11.4143 11.4143 18.1499 18.1499 k = 0.3882 0.1937 0.6124 ( 2045 PWs) bands (ev): -16.4975 -16.4975 -16.3909 -16.3909 -14.4836 -14.4836 -4.4321 -4.4321 0.1784 0.1784 0.5905 0.5905 1.6294 1.6294 2.5273 2.5273 2.7373 2.7373 3.0376 3.0376 4.1013 4.1013 4.5709 4.5709 4.6181 4.6181 8.3557 8.3557 10.7118 10.7118 11.4169 11.4169 18.1461 18.1461 k = 0.3816 0.2051 0.6124 ( 2045 PWs) bands (ev): -16.4980 -16.4980 -16.3905 -16.3905 -14.4835 -14.4835 -4.4311 -4.4311 0.1737 0.1737 0.5889 0.5889 1.6404 1.6404 2.5212 2.5212 2.7370 2.7370 3.0416 3.0416 4.0986 4.0986 4.5810 4.5810 4.6070 4.6070 8.3551 8.3551 10.7117 10.7117 11.4185 11.4185 18.1437 18.1437 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.3684 0.2127 0.6016 ( 2043 PWs) bands (ev): -16.4909 -16.4909 -16.4003 -16.4003 -14.4820 -14.4820 -4.4309 -4.4309 0.2040 0.2040 0.6310 0.6310 1.5902 1.5902 2.5014 2.5014 2.7318 2.7318 3.0399 3.0399 4.1351 4.1351 4.5756 4.5756 4.5868 4.5868 8.3554 8.3554 10.7060 10.7060 11.3739 11.3739 18.1909 18.1909 k = 0.3618 0.2089 0.5909 ( 2047 PWs) bands (ev): -16.4834 -16.4834 -16.4107 -16.4107 -14.4804 -14.4804 -4.4298 -4.4298 0.2367 0.2367 0.6720 0.6720 1.5382 1.5382 2.4830 2.4830 2.7261 2.7261 3.0402 3.0402 4.1702 4.1702 4.5589 4.5589 4.5758 4.5758 8.3546 8.3546 10.7013 10.7013 11.3296 11.3296 18.2405 18.2405 k = 0.3553 0.2051 0.5801 ( 2041 PWs) bands (ev): -16.4757 -16.4757 -16.4216 -16.4216 -14.4786 -14.4786 -4.4271 -4.4271 0.2702 0.2702 0.7111 0.7111 1.4883 1.4883 2.4641 2.4641 2.7200 2.7200 3.0443 3.0443 4.2031 4.2031 4.5391 4.5391 4.5658 4.5658 8.3522 8.3522 10.6976 10.6976 11.2867 11.2867 18.2912 18.2912 k = 0.3487 0.2013 0.5694 ( 2039 PWs) bands (ev): -16.4678 -16.4678 -16.4330 -16.4330 -14.4766 -14.4766 -4.4229 -4.4229 0.3043 0.3043 0.7479 0.7479 1.4406 1.4406 2.4446 2.4446 2.7133 2.7133 3.0522 3.0522 4.2338 4.2338 4.5173 4.5173 4.5556 4.5556 8.3482 8.3482 10.6945 10.6945 11.2457 11.2457 18.3429 18.3429 k = 0.3421 0.1975 0.5587 ( 2027 PWs) bands (ev): -16.4599 -16.4599 -16.4448 -16.4448 -14.4744 -14.4744 -4.4171 -4.4171 0.3391 0.3391 0.7820 0.7820 1.3953 1.3953 2.4247 2.4247 2.7060 2.7060 3.0641 3.0641 4.2622 4.2622 4.4941 4.4941 4.5451 4.5451 8.3424 8.3424 10.6916 10.6916 11.2072 11.2072 18.3954 18.3954 k = 0.3355 0.1937 0.5479 ( 2015 PWs) bands (ev): -16.4583 -16.4583 -16.4506 -16.4506 -14.4719 -14.4719 -4.4096 -4.4096 0.3745 0.3745 0.8133 0.8133 1.3523 1.3523 2.4042 2.4042 2.6982 2.6982 3.0798 3.0798 4.2884 4.2884 4.4697 4.4697 4.5341 4.5341 8.3348 8.3348 10.6883 10.6883 11.1718 11.1718 18.4483 18.4483 k = 0.3289 0.1899 0.5372 ( 2019 PWs) bands (ev): -16.4707 -16.4707 -16.4427 -16.4427 -14.4693 -14.4693 -4.4004 -4.4004 0.4102 0.4102 0.8415 0.8415 1.3119 1.3119 2.3834 2.3834 2.6898 2.6898 3.0990 3.0990 4.3124 4.3124 4.4444 4.4444 4.5227 4.5227 8.3254 8.3254 10.6840 10.6840 11.1402 11.1402 18.5014 18.5014 k = 0.3224 0.1861 0.5264 ( 2023 PWs) bands (ev): -16.4841 -16.4841 -16.4343 -16.4343 -14.4664 -14.4664 -4.3894 -4.3894 0.4462 0.4462 0.8666 0.8666 1.2741 1.2741 2.3621 2.3621 2.6808 2.6808 3.1214 3.1214 4.3340 4.3340 4.4187 4.4187 4.5109 4.5109 8.3141 8.3141 10.6779 10.6779 11.1134 11.1134 18.5544 18.5544 k = 0.3158 0.1823 0.5157 ( 2027 PWs) bands (ev): -16.4979 -16.4979 -16.4258 -16.4258 -14.4633 -14.4633 -4.3766 -4.3766 0.4823 0.4823 0.8888 0.8888 1.2391 1.2391 2.3405 2.3405 2.6712 2.6712 3.1466 3.1466 4.3531 4.3531 4.3931 4.3931 4.4987 4.4987 8.3011 8.3011 10.6693 10.6693 11.0920 11.0920 18.6068 18.6068 k = 0.3092 0.1785 0.5049 ( 2035 PWs) bands (ev): -16.5122 -16.5122 -16.4172 -16.4172 -14.4600 -14.4600 -4.3619 -4.3619 0.5183 0.5183 0.9082 0.9082 1.2069 1.2069 2.3186 2.3186 2.6610 2.6610 3.1737 3.1737 4.3653 4.3653 4.3725 4.3725 4.4865 4.4865 8.2864 8.2864 10.6576 10.6576 11.0764 11.0764 18.6585 18.6585 k = 0.3026 0.1747 0.4942 ( 2039 PWs) bands (ev): -16.5269 -16.5269 -16.4085 -16.4085 -14.4565 -14.4565 -4.3454 -4.3454 0.5537 0.5537 0.9252 0.9252 1.1777 1.1777 2.2965 2.2965 2.6503 2.6503 3.2020 3.2020 4.3433 4.3433 4.3843 4.3843 4.4746 4.4746 8.2700 8.2700 10.6428 10.6428 11.0668 11.0668 18.7088 18.7088 k = 0.2961 0.1709 0.4835 ( 2039 PWs) bands (ev): -16.5420 -16.5420 -16.3998 -16.3998 -14.4527 -14.4527 -4.3269 -4.3269 0.5884 0.5884 0.9403 0.9403 1.1515 1.1515 2.2741 2.2741 2.6389 2.6389 3.2303 3.2303 4.3214 4.3214 4.3942 4.3942 4.4641 4.4641 8.2522 8.2522 10.6249 10.6249 11.0630 11.0630 18.7576 18.7576 k = 0.2895 0.1671 0.4727 ( 2029 PWs) bands (ev): -16.5574 -16.5574 -16.3911 -16.3911 -14.4486 -14.4486 -4.3066 -4.3066 0.6218 0.6218 0.9542 0.9542 1.1284 1.1284 2.2516 2.2516 2.6269 2.6269 3.2573 3.2573 4.3022 4.3022 4.3985 4.3985 4.4567 4.4567 8.2331 8.2331 10.6046 10.6046 11.0641 11.0641 18.8043 18.8043 k = 0.2829 0.1633 0.4620 ( 2029 PWs) bands (ev): -16.5732 -16.5732 -16.3824 -16.3824 -14.4444 -14.4444 -4.2844 -4.2844 0.6532 0.6532 0.9679 0.9679 1.1084 1.1084 2.2289 2.2289 2.6144 2.6144 3.2818 3.2818 4.2868 4.2868 4.3955 4.3955 4.4543 4.4543 8.2128 8.2128 10.5825 10.5825 11.0695 11.0695 18.8486 18.8486 k = 0.2763 0.1595 0.4512 ( 2033 PWs) bands (ev): -16.5893 -16.5893 -16.3737 -16.3737 -14.4400 -14.4400 -4.2604 -4.2604 0.6820 0.6820 0.9822 0.9822 1.0912 1.0912 2.2062 2.2062 2.6013 2.6013 3.3023 3.3023 4.2761 4.2761 4.3860 4.3860 4.4560 4.4560 8.1916 8.1916 10.5594 10.5594 11.0782 11.0782 18.8900 18.8900 k = 0.2697 0.1557 0.4405 ( 2029 PWs) bands (ev): -16.6057 -16.6057 -16.3651 -16.3651 -14.4353 -14.4353 -4.2346 -4.2346 0.7077 0.7077 0.9983 0.9983 1.0769 1.0769 2.1834 2.1834 2.5877 2.5877 3.3174 3.3174 4.2709 4.2709 4.3726 4.3726 4.4593 4.4593 8.1697 8.1697 10.5361 10.5361 11.0893 11.0893 18.9281 18.9281 k = 0.2632 0.1519 0.4297 ( 2025 PWs) bands (ev): -16.6223 -16.6223 -16.3565 -16.3565 -14.4304 -14.4304 -4.2069 -4.2069 0.7296 0.7296 1.0170 1.0170 1.0653 1.0653 2.1605 2.1605 2.5735 2.5735 3.3261 3.3261 4.2720 4.2720 4.3570 4.3570 4.4625 4.4625 8.1474 8.1474 10.5131 10.5131 11.1021 11.1021 18.9626 18.9626 k = 0.2566 0.1481 0.4190 ( 2025 PWs) bands (ev): -16.6391 -16.6391 -16.3480 -16.3480 -14.4254 -14.4254 -4.1776 -4.1776 0.7476 0.7476 1.0379 1.0379 1.0573 1.0573 2.1377 2.1377 2.5589 2.5589 3.3275 3.3275 4.2793 4.2793 4.3403 4.3403 4.4649 4.4649 8.1249 8.1249 10.4911 10.4911 11.1159 11.1159 18.9931 18.9931 k = 0.2500 0.1443 0.4082 ( 2017 PWs) bands (ev): -16.6562 -16.6562 -16.3396 -16.3396 -14.4201 -14.4201 -4.1465 -4.1465 0.7621 0.7621 1.0449 1.0449 1.0688 1.0688 2.1150 2.1150 2.5438 2.5438 3.3215 3.3215 4.2916 4.2916 4.3238 4.3238 4.4660 4.4660 8.1026 8.1026 10.4705 10.4705 11.1303 11.1303 19.0193 19.0193 k = 0.2434 0.1405 0.3975 ( 2021 PWs) bands (ev): -16.6734 -16.6734 -16.3314 -16.3314 -14.4147 -14.4147 -4.1139 -4.1139 0.7737 0.7737 1.0401 1.0401 1.0973 1.0973 2.0924 2.0924 2.5283 2.5283 3.3081 3.3081 4.2965 4.2965 4.3194 4.3194 4.4658 4.4658 8.0807 8.0807 10.4516 10.4516 11.1447 11.1447 19.0411 19.0411 k = 0.2368 0.1367 0.3868 ( 2021 PWs) bands (ev): -16.6907 -16.6907 -16.3232 -16.3232 -14.4092 -14.4092 -4.0797 -4.0797 0.7834 0.7834 1.0360 1.0360 1.1295 1.1295 2.0699 2.0699 2.5125 2.5125 3.2880 3.2880 4.2806 4.2806 4.3396 4.3396 4.4640 4.4640 8.0596 8.0596 10.4348 10.4348 11.1587 11.1587 19.0581 19.0581 k = 0.2303 0.1329 0.3760 ( 2025 PWs) bands (ev): -16.7081 -16.7081 -16.3152 -16.3152 -14.4035 -14.4035 -4.0441 -4.0441 0.7920 0.7920 1.0331 1.0331 1.1642 1.1642 2.0476 2.0476 2.4962 2.4962 3.2620 3.2620 4.2611 4.2611 4.3659 4.3659 4.4608 4.4608 8.0397 8.0397 10.4203 10.4203 11.1722 11.1722 19.0704 19.0704 k = 0.2237 0.1291 0.3653 ( 2023 PWs) bands (ev): -16.7255 -16.7255 -16.3074 -16.3074 -14.3977 -14.3977 -4.0071 -4.0071 0.8002 0.8002 1.0317 1.0317 1.2007 1.2007 2.0255 2.0255 2.4797 2.4797 3.2309 3.2309 4.2408 4.2408 4.3943 4.3943 4.4561 4.4561 8.0212 8.0212 10.4083 10.4083 11.1847 11.1847 19.0779 19.0779 k = 0.2171 0.1253 0.3545 ( 2017 PWs) bands (ev): -16.7429 -16.7429 -16.2997 -16.2997 -14.3917 -14.3917 -3.9688 -3.9688 0.8087 0.8087 1.0316 1.0316 1.2383 1.2383 2.0037 2.0037 2.4630 2.4630 3.1956 3.1956 4.2199 4.2199 4.4226 4.4226 4.4505 4.4505 8.0046 8.0046 10.3992 10.3992 11.1962 11.1962 19.0807 19.0807 k = 0.2105 0.1215 0.3438 ( 2017 PWs) bands (ev): -16.7603 -16.7603 -16.2922 -16.2922 -14.3857 -14.3857 -3.9293 -3.9293 0.8179 0.8179 1.0329 1.0329 1.2768 1.2768 1.9822 1.9822 2.4460 2.4460 3.1569 3.1569 4.1986 4.1986 4.4379 4.4379 4.4556 4.4556 7.9902 7.9902 10.3929 10.3929 11.2065 11.2065 19.0789 19.0789 k = 0.2039 0.1177 0.3330 ( 2017 PWs) bands (ev): -16.7776 -16.7776 -16.2849 -16.2849 -14.3796 -14.3796 -3.8887 -3.8887 0.8282 0.8282 1.0357 1.0357 1.3157 1.3157 1.9609 1.9609 2.4289 2.4289 3.1154 3.1154 4.1769 4.1769 4.4302 4.4302 4.4801 4.4801 7.9783 7.9783 10.3897 10.3897 11.2155 11.2155 19.0728 19.0728 k = 0.1974 0.1140 0.3223 ( 2017 PWs) bands (ev): -16.7948 -16.7948 -16.2778 -16.2778 -14.3734 -14.3734 -3.8472 -3.8472 0.8398 0.8398 1.0400 1.0400 1.3548 1.3548 1.9400 1.9400 2.4117 2.4117 3.0719 3.0719 4.1549 4.1549 4.4193 4.4193 4.5035 4.5035 7.9691 7.9691 10.3896 10.3896 11.2232 11.2232 19.0625 19.0625 k = 0.1908 0.1102 0.3116 ( 2023 PWs) bands (ev): -16.8119 -16.8119 -16.2708 -16.2708 -14.3673 -14.3673 -3.8049 -3.8049 0.8528 0.8528 1.0458 1.0458 1.3939 1.3939 1.9195 1.9195 2.3944 2.3944 3.0267 3.0267 4.1327 4.1327 4.4065 4.4065 4.5234 4.5234 7.9630 7.9630 10.3928 10.3928 11.2296 11.2296 19.0484 19.0484 k = 0.1842 0.1064 0.3008 ( 2023 PWs) bands (ev): -16.8288 -16.8288 -16.2641 -16.2641 -14.3610 -14.3610 -3.7618 -3.7618 0.8675 0.8675 1.0533 1.0533 1.4327 1.4327 1.8994 1.8994 2.3771 2.3771 2.9804 2.9804 4.1103 4.1103 4.3920 4.3920 4.5391 4.5391 7.9600 7.9600 10.3992 10.3992 11.2346 11.2346 19.0309 19.0309 k = 0.1776 0.1026 0.2901 ( 2021 PWs) bands (ev): -16.8455 -16.8455 -16.2577 -16.2577 -14.3548 -14.3548 -3.7182 -3.7182 0.8838 0.8838 1.0624 1.0624 1.4712 1.4712 1.8798 1.8798 2.3599 2.3599 2.9333 2.9333 4.0877 4.0877 4.3761 4.3761 4.5499 4.5499 7.9604 7.9604 10.4091 10.4091 11.2384 11.2384 19.0103 19.0103 k = 0.1711 0.0988 0.2793 ( 2023 PWs) bands (ev): -16.8619 -16.8619 -16.2514 -16.2514 -14.3486 -14.3486 -3.6742 -3.6742 0.9018 0.9018 1.0733 1.0733 1.5090 1.5090 1.8606 1.8606 2.3427 2.3427 2.8858 2.8858 4.0650 4.0650 4.3585 4.3585 4.5556 4.5556 7.9640 7.9640 10.4222 10.4222 11.2411 11.2411 18.9871 18.9871 k = 0.1645 0.0950 0.2686 ( 2027 PWs) bands (ev): -16.8780 -16.8780 -16.2454 -16.2454 -14.3425 -14.3425 -3.6299 -3.6299 0.9214 0.9214 1.0859 1.0859 1.5462 1.5462 1.8419 1.8419 2.3257 2.3257 2.8381 2.8381 4.0422 4.0422 4.3395 4.3395 4.5558 4.5558 7.9709 7.9709 10.4388 10.4388 11.2426 11.2426 18.9615 18.9615 k = 0.1579 0.0912 0.2578 ( 2027 PWs) bands (ev): -16.8938 -16.8938 -16.2396 -16.2396 -14.3364 -14.3364 -3.5854 -3.5854 0.9428 0.9428 1.1002 1.1002 1.5826 1.5826 1.8237 1.8237 2.3089 2.3089 2.7906 2.7906 4.0193 4.0193 4.3191 4.3191 4.5505 4.5505 7.9810 7.9810 10.4586 10.4586 11.2433 11.2433 18.9341 18.9341 k = 0.1513 0.0874 0.2471 ( 2019 PWs) bands (ev): -16.9092 -16.9092 -16.2341 -16.2341 -14.3303 -14.3303 -3.5409 -3.5409 0.9658 0.9658 1.1162 1.1162 1.6180 1.6180 1.8061 1.8061 2.2924 2.2924 2.7434 2.7434 3.9964 3.9964 4.2973 4.2973 4.5397 4.5397 7.9939 7.9939 10.4817 10.4817 11.2431 11.2431 18.9051 18.9051 k = 0.1447 0.0836 0.2364 ( 2023 PWs) bands (ev): -16.9242 -16.9242 -16.2288 -16.2288 -14.3244 -14.3244 -3.4967 -3.4967 0.9904 0.9904 1.1340 1.1340 1.6524 1.6524 1.7891 1.7891 2.2762 2.2762 2.6968 2.6968 3.9735 3.9735 4.2743 4.2743 4.5237 4.5237 8.0095 8.0095 10.5080 10.5080 11.2422 11.2422 18.8748 18.8748 k = 0.1382 0.0798 0.2256 ( 2023 PWs) bands (ev): -16.9388 -16.9388 -16.2237 -16.2237 -14.3186 -14.3186 -3.4528 -3.4528 1.0166 1.0166 1.1534 1.1534 1.6857 1.6857 1.7727 1.7727 2.2604 2.2604 2.6510 2.6510 3.9504 3.9504 4.2502 4.2502 4.5026 4.5026 8.0274 8.0274 10.5372 10.5372 11.2408 11.2408 18.8438 18.8438 k = 0.1316 0.0760 0.2149 ( 2021 PWs) bands (ev): -16.9530 -16.9530 -16.2189 -16.2189 -14.3129 -14.3129 -3.4094 -3.4094 1.0442 1.0442 1.1743 1.1743 1.7176 1.7176 1.7569 1.7569 2.2449 2.2449 2.6062 2.6062 3.9273 3.9273 4.2250 4.2250 4.4769 4.4769 8.0473 8.0473 10.5694 10.5694 11.2389 11.2389 18.8121 18.8121 k = 0.1250 0.0722 0.2041 ( 2027 PWs) bands (ev): -16.9666 -16.9666 -16.2144 -16.2144 -14.3073 -14.3073 -3.3667 -3.3667 1.0732 1.0732 1.1968 1.1968 1.7409 1.7409 1.7491 1.7491 2.2300 2.2300 2.5625 2.5625 3.9041 3.9041 4.1991 4.1991 4.4470 4.4470 8.0686 8.0686 10.6041 10.6041 11.2368 11.2368 18.7802 18.7802 k = 0.1184 0.0684 0.1934 ( 2025 PWs) bands (ev): -16.9798 -16.9798 -16.2101 -16.2101 -14.3020 -14.3020 -3.3249 -3.3249 1.1036 1.1036 1.2205 1.2205 1.7270 1.7270 1.7776 1.7776 2.2156 2.2156 2.5201 2.5201 3.8807 3.8807 4.1725 4.1725 4.4135 4.4135 8.0911 8.0911 10.6413 10.6413 11.2346 11.2346 18.7483 18.7483 k = 0.1118 0.0646 0.1826 ( 2025 PWs) bands (ev): -16.9924 -16.9924 -16.2060 -16.2060 -14.2968 -14.2968 -3.2841 -3.2841 1.1351 1.1351 1.2455 1.2455 1.7132 1.7132 1.8051 1.8051 2.2017 2.2017 2.4792 2.4792 3.8570 3.8570 4.1456 4.1456 4.3768 4.3768 8.1143 8.1143 10.6805 10.6805 11.2323 11.2323 18.7166 18.7166 k = 0.1053 0.0608 0.1719 ( 2023 PWs) bands (ev): -17.0044 -17.0044 -16.2021 -16.2021 -14.2918 -14.2918 -3.2445 -3.2445 1.1677 1.1677 1.2714 1.2714 1.7001 1.7001 1.8308 1.8308 2.1886 2.1886 2.4400 2.4400 3.8330 3.8330 4.1185 4.1185 4.3377 4.3377 8.1378 8.1378 10.7215 10.7215 11.2300 11.2300 18.6854 18.6854 k = 0.0987 0.0570 0.1612 ( 2023 PWs) bands (ev): -17.0158 -17.0158 -16.1986 -16.1986 -14.2870 -14.2870 -3.2063 -3.2063 1.2012 1.2012 1.2981 1.2981 1.6877 1.6877 1.8547 1.8547 2.1762 2.1762 2.4026 2.4026 3.8086 3.8086 4.0917 4.0917 4.2967 4.2967 8.1613 8.1613 10.7639 10.7639 11.2278 11.2278 18.6548 18.6548 k = 0.0921 0.0532 0.1504 ( 2019 PWs) bands (ev): -17.0266 -17.0266 -16.1952 -16.1952 -14.2825 -14.2825 -3.1696 -3.1696 1.2355 1.2355 1.3254 1.3254 1.6760 1.6760 1.8765 1.8765 2.1647 2.1647 2.3671 2.3671 3.7836 3.7836 4.0653 4.0653 4.2547 4.2547 8.1844 8.1844 10.8071 10.8071 11.2259 11.2259 18.6251 18.6251 k = 0.0855 0.0494 0.1397 ( 2019 PWs) bands (ev): -17.0367 -17.0367 -16.1921 -16.1921 -14.2782 -14.2782 -3.1347 -3.1347 1.2703 1.2703 1.3529 1.3529 1.6650 1.6650 1.8959 1.8959 2.1543 2.1543 2.3338 2.3338 3.7580 3.7580 4.0397 4.0397 4.2121 4.2121 8.2069 8.2069 10.8509 10.8509 11.2241 11.2241 18.5963 18.5963 k = 0.0789 0.0456 0.1289 ( 2027 PWs) bands (ev): -17.0462 -17.0462 -16.1893 -16.1893 -14.2742 -14.2742 -3.1016 -3.1016 1.3055 1.3055 1.3804 1.3804 1.6549 1.6549 1.9128 1.9128 2.1450 2.1450 2.3027 2.3027 3.7317 3.7317 4.0152 4.0152 4.1696 4.1696 8.2284 8.2284 10.8945 10.8945 11.2227 11.2227 18.5687 18.5687 k = 0.0724 0.0418 0.1182 ( 2025 PWs) bands (ev): -17.0550 -17.0550 -16.1866 -16.1866 -14.2704 -14.2704 -3.0705 -3.0705 1.3407 1.3407 1.4075 1.4075 1.6455 1.6455 1.9269 1.9269 2.1372 2.1372 2.2741 2.2741 3.7049 3.7049 3.9922 3.9922 4.1281 4.1281 8.2488 8.2488 10.9376 10.9376 11.2214 11.2214 18.5423 18.5423 k = 0.0658 0.0380 0.1074 ( 2025 PWs) bands (ev): -17.0631 -17.0631 -16.1843 -16.1843 -14.2670 -14.2670 -3.0416 -3.0416 1.3756 1.3756 1.4340 1.4340 1.6369 1.6369 1.9379 1.9379 2.1309 2.1309 2.2481 2.2481 3.6776 3.6776 3.9709 3.9709 4.0880 4.0880 8.2678 8.2678 10.9796 10.9796 11.2205 11.2205 18.5173 18.5173 k = 0.0592 0.0342 0.0967 ( 2033 PWs) bands (ev): -17.0705 -17.0705 -16.1821 -16.1821 -14.2638 -14.2638 -3.0150 -3.0150 1.4099 1.4099 1.4594 1.4594 1.6291 1.6291 1.9456 1.9456 2.1265 2.1265 2.2247 2.2247 3.6501 3.6501 3.9514 3.9514 4.0500 4.0500 8.2853 8.2853 11.0198 11.0198 11.2198 11.2198 18.4939 18.4939 k = 0.0526 0.0304 0.0859 ( 2033 PWs) bands (ev): -17.0771 -17.0771 -16.1802 -16.1802 -14.2609 -14.2609 -2.9908 -2.9908 1.4431 1.4431 1.4835 1.4835 1.6222 1.6222 1.9499 1.9499 2.1239 2.1239 2.2040 2.2040 3.6228 3.6228 3.9340 3.9340 4.0146 4.0146 8.3013 8.3013 11.0578 11.0578 11.2193 11.2193 18.4721 18.4721 k = 0.0461 0.0266 0.0752 ( 2037 PWs) bands (ev): -17.0830 -17.0830 -16.1785 -16.1785 -14.2584 -14.2584 -2.9692 -2.9692 1.4748 1.4748 1.5058 1.5058 1.6161 1.6161 1.9512 1.9512 2.1229 2.1229 2.1861 2.1861 3.5964 3.5964 3.9187 3.9187 3.9822 3.9822 8.3155 8.3155 11.0929 11.0929 11.2191 11.2191 18.4521 18.4521 k = 0.0395 0.0228 0.0645 ( 2049 PWs) bands (ev): -17.0882 -17.0882 -16.1771 -16.1771 -14.2562 -14.2562 -2.9503 -2.9503 1.5042 1.5042 1.5260 1.5260 1.6109 1.6109 1.9498 1.9498 2.1234 2.1234 2.1709 2.1709 3.5714 3.5714 3.9055 3.9055 3.9534 3.9534 8.3279 8.3279 11.1247 11.1247 11.2189 11.2189 18.4342 18.4342 k = 0.0329 0.0190 0.0537 ( 2049 PWs) bands (ev): -17.0925 -17.0925 -16.1759 -16.1759 -14.2543 -14.2543 -2.9341 -2.9341 1.5309 1.5309 1.5438 1.5438 1.6068 1.6068 1.9465 1.9465 2.1247 2.1247 2.1584 2.1584 3.5486 3.5486 3.8944 3.8944 3.9284 3.9284 8.3385 8.3385 11.1525 11.1525 11.2189 11.2189 18.4184 18.4184 k = 0.0263 0.0152 0.0430 ( 2049 PWs) bands (ev): -17.0961 -17.0961 -16.1749 -16.1749 -14.2527 -14.2527 -2.9207 -2.9207 1.5531 1.5531 1.5596 1.5596 1.6036 1.6036 1.9422 1.9422 2.1265 2.1265 2.1484 2.1484 3.5286 3.5286 3.8854 3.8854 3.9076 3.9076 8.3472 8.3472 11.1759 11.1759 11.2190 11.2190 18.4051 18.4051 k = 0.0197 0.0114 0.0322 ( 2053 PWs) bands (ev): -17.0989 -17.0989 -16.1741 -16.1741 -14.2515 -14.2515 -2.9102 -2.9102 1.5673 1.5673 1.5759 1.5759 1.6017 1.6017 1.9376 1.9376 2.1283 2.1283 2.1407 2.1407 3.5123 3.5123 3.8784 3.8784 3.8911 3.8911 8.3540 8.3540 11.1946 11.1946 11.2190 11.2190 18.3944 18.3944 k = 0.0132 0.0076 0.0215 ( 2057 PWs) bands (ev): -17.1009 -17.1009 -16.1735 -16.1735 -14.2506 -14.2506 -2.9027 -2.9027 1.5751 1.5751 1.5898 1.5898 1.6011 1.6011 1.9337 1.9337 2.1298 2.1298 2.1354 2.1354 3.5001 3.5001 3.8735 3.8735 3.8792 3.8792 8.3588 8.3588 11.2082 11.2082 11.2191 11.2191 18.3866 18.3866 k = 0.0066 0.0038 0.0107 ( 2069 PWs) bands (ev): -17.1021 -17.1021 -16.1732 -16.1732 -14.2501 -14.2501 -2.8982 -2.8982 1.5791 1.5791 1.5987 1.5987 1.6014 1.6014 1.9310 1.9310 2.1308 2.1308 2.1322 2.1322 3.4926 3.4926 3.8705 3.8705 3.8720 3.8720 8.3618 8.3618 11.2164 11.2164 11.2192 11.2192 18.3818 18.3818 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -17.1025 -17.1025 -16.1732 -16.1732 -14.2500 -14.2500 -2.8968 -2.8968 1.5802 1.5802 1.6017 1.6017 1.6017 1.6017 1.9300 1.9300 2.1311 2.1311 2.1311 2.1311 3.4901 3.4901 3.8695 3.8695 3.8695 3.8695 8.3627 8.3627 11.2192 11.2192 11.2192 11.2192 18.3802 18.3802 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -17.1025 -17.1025 -16.1732 -16.1732 -14.2500 -14.2500 -2.8968 -2.8968 1.5802 1.5802 1.6017 1.6017 1.6017 1.6017 1.9300 1.9300 2.1311 2.1311 2.1311 2.1311 3.4901 3.4901 3.8695 3.8695 3.8695 3.8695 8.3627 8.3627 11.2192 11.2192 11.2192 11.2192 18.3802 18.3802 k = 0.0106 0.0061 0.0043 ( 2073 PWs) bands (ev): -17.1021 -17.1021 -16.1732 -16.1732 -14.2501 -14.2501 -2.8982 -2.8982 1.5791 1.5791 1.5989 1.5989 1.6013 1.6013 1.9310 1.9310 2.1307 2.1307 2.1323 2.1323 3.4925 3.4925 3.8704 3.8704 3.8720 3.8720 8.3618 8.3618 11.2168 11.2168 11.2188 11.2188 18.3822 18.3822 k = 0.0213 0.0123 0.0087 ( 2055 PWs) bands (ev): -17.1009 -17.1009 -16.1735 -16.1735 -14.2506 -14.2506 -2.9026 -2.9026 1.5751 1.5751 1.5913 1.5913 1.6001 1.6001 1.9336 1.9336 2.1294 2.1294 2.1358 2.1358 3.4999 3.4999 3.8730 3.8730 3.8794 3.8794 8.3589 8.3589 11.2098 11.2098 11.2177 11.2177 18.3883 18.3883 k = 0.0319 0.0184 0.0130 ( 2049 PWs) bands (ev): -17.0989 -17.0989 -16.1741 -16.1741 -14.2515 -14.2515 -2.9099 -2.9099 1.5653 1.5653 1.5824 1.5824 1.5981 1.5981 1.9374 1.9374 2.1272 2.1272 2.1418 2.1418 3.5117 3.5117 3.8772 3.8772 3.8917 3.8917 8.3542 8.3542 11.1982 11.1982 11.2159 11.2159 18.3981 18.3981 k = 0.0426 0.0246 0.0174 ( 2049 PWs) bands (ev): -17.0962 -17.0962 -16.1748 -16.1748 -14.2527 -14.2527 -2.9202 -2.9202 1.5473 1.5473 1.5753 1.5753 1.5953 1.5953 1.9416 1.9416 2.1241 2.1241 2.1508 2.1508 3.5276 3.5276 3.8832 3.8832 3.9089 3.9089 8.3476 8.3476 11.1821 11.1821 11.2134 11.2134 18.4119 18.4119 k = 0.0532 0.0307 0.0217 ( 2049 PWs) bands (ev): -17.0927 -17.0927 -16.1758 -16.1758 -14.2542 -14.2542 -2.9334 -2.9334 1.5236 1.5236 1.5686 1.5686 1.5917 1.5917 1.9456 1.9456 2.1201 2.1201 2.1630 2.1630 3.5469 3.5469 3.8907 3.8907 3.9307 3.9307 8.3392 8.3392 11.1620 11.1620 11.2102 11.2102 18.4296 18.4296 k = 0.0638 0.0369 0.0261 ( 2037 PWs) bands (ev): -17.0884 -17.0884 -16.1770 -16.1770 -14.2560 -14.2560 -2.9493 -2.9493 1.4962 1.4962 1.5613 1.5613 1.5875 1.5875 1.9488 1.9488 2.1153 2.1153 2.1787 2.1787 3.5689 3.5689 3.8998 3.8998 3.9570 3.9570 8.3290 8.3290 11.1381 11.1381 11.2063 11.2063 18.4510 18.4510 k = 0.0745 0.0430 0.0304 ( 2037 PWs) bands (ev): -17.0834 -17.0834 -16.1784 -16.1784 -14.2582 -14.2582 -2.9680 -2.9680 1.4661 1.4661 1.5531 1.5531 1.5826 1.5826 1.9507 1.9507 2.1096 2.1096 2.1982 2.1982 3.5931 3.5931 3.9104 3.9104 3.9875 3.9875 8.3172 8.3172 11.1107 11.1107 11.2019 11.2019 18.4761 18.4761 k = 0.0851 0.0491 0.0347 ( 2031 PWs) bands (ev): -17.0776 -17.0776 -16.1801 -16.1801 -14.2607 -14.2607 -2.9892 -2.9892 1.4344 1.4344 1.5441 1.5441 1.5770 1.5770 1.9511 1.9511 2.1032 2.1032 2.2215 2.2215 3.6189 3.6189 3.9224 3.9224 4.0217 4.0217 8.3038 8.3038 11.0803 11.0803 11.1969 11.1969 18.5047 18.5047 k = 0.0957 0.0553 0.0391 ( 2031 PWs) bands (ev): -17.0711 -17.0711 -16.1820 -16.1820 -14.2635 -14.2635 -3.0131 -3.0131 1.4016 1.4016 1.5343 1.5343 1.5710 1.5710 1.9498 1.9498 2.0958 2.0958 2.2485 2.2485 3.6459 3.6459 3.9357 3.9357 4.0591 4.0591 8.2889 8.2889 11.0473 11.0473 11.1914 11.1914 18.5368 18.5368 k = 0.1064 0.0614 0.0434 ( 2028 PWs) bands (ev): -17.0638 -17.0638 -16.1842 -16.1842 -14.2666 -14.2666 -3.0393 -3.0393 1.3686 1.3686 1.5238 1.5238 1.5645 1.5645 1.9471 1.9471 2.0877 2.0877 2.2790 2.2790 3.6738 3.6738 3.9503 3.9503 4.0990 4.0990 8.2727 8.2727 11.0122 11.0122 11.1854 11.1854 18.5722 18.5722 k = 0.1170 0.0676 0.0478 ( 2028 PWs) bands (ev): -17.0559 -17.0559 -16.1866 -16.1866 -14.2700 -14.2700 -3.0679 -3.0679 1.3357 1.3357 1.5126 1.5126 1.5576 1.5576 1.9429 1.9429 2.0788 2.0788 2.3129 2.3129 3.7023 3.7023 3.9661 3.9661 4.1406 4.1406 8.2553 8.2553 10.9754 10.9754 11.1791 11.1791 18.6108 18.6108 k = 0.1277 0.0737 0.0521 ( 2028 PWs) bands (ev): -17.0472 -17.0472 -16.1893 -16.1893 -14.2736 -14.2736 -3.0986 -3.0986 1.3036 1.3036 1.5010 1.5010 1.5503 1.5503 1.9373 1.9373 2.0692 2.0692 2.3498 2.3498 3.7314 3.7314 3.9829 3.9829 4.1833 4.1833 8.2369 8.2369 10.9373 10.9373 11.1724 11.1724 18.6524 18.6524 k = 0.1383 0.0798 0.0565 ( 2016 PWs) bands (ev): -17.0378 -17.0378 -16.1922 -16.1922 -14.2775 -14.2775 -3.1313 -3.1313 1.2727 1.2727 1.4891 1.4891 1.5428 1.5428 1.9307 1.9307 2.0589 2.0589 2.3896 2.3896 3.7609 3.7609 4.0008 4.0008 4.2263 4.2263 8.2176 8.2176 10.8984 10.8984 11.1655 11.1655 18.6968 18.6968 k = 0.1489 0.0860 0.0608 ( 2022 PWs) bands (ev): -17.0279 -17.0279 -16.1954 -16.1954 -14.2817 -14.2817 -3.1659 -3.1659 1.2433 1.2433 1.4768 1.4768 1.5351 1.5351 1.9229 1.9229 2.0478 2.0478 2.4320 2.4320 3.7907 3.7907 4.0194 4.0194 4.2688 4.2688 8.1976 8.1976 10.8591 10.8591 11.1584 11.1584 18.7438 18.7438 k = 0.1596 0.0921 0.0651 ( 2022 PWs) bands (ev): -17.0172 -17.0172 -16.1988 -16.1988 -14.2861 -14.2861 -3.2022 -3.2022 1.2156 1.2156 1.4644 1.4644 1.5274 1.5274 1.9143 1.9143 2.0360 2.0360 2.4767 2.4767 3.8208 3.8208 4.0388 4.0388 4.3102 4.3102 8.1772 8.1772 10.8198 10.8198 11.1511 11.1511 18.7932 18.7932 k = 0.1702 0.0983 0.0695 ( 2022 PWs) bands (ev): -17.0060 -17.0060 -16.2026 -16.2026 -14.2907 -14.2907 -3.2400 -3.2400 1.1900 1.1900 1.4519 1.4519 1.5196 1.5196 1.9048 1.9048 2.0236 2.0236 2.5234 2.5234 3.8510 3.8510 4.0589 4.0589 4.3499 4.3499 8.1565 8.1565 10.7809 10.7809 11.1437 11.1437 18.8449 18.8449 k = 0.1809 0.1044 0.0738 ( 2022 PWs) bands (ev): -16.9941 -16.9941 -16.2066 -16.2066 -14.2955 -14.2955 -3.2791 -3.2791 1.1667 1.1667 1.4395 1.4395 1.5118 1.5118 1.8945 1.8945 2.0107 2.0107 2.5720 2.5720 3.8814 3.8814 4.0795 4.0795 4.3872 4.3872 8.1359 8.1359 10.7425 10.7425 11.1364 11.1364 18.8986 18.8986 k = 0.1915 0.1106 0.0782 ( 2022 PWs) bands (ev): -16.9817 -16.9817 -16.2109 -16.2109 -14.3005 -14.3005 -3.3193 -3.3193 1.1457 1.1457 1.4273 1.4273 1.5042 1.5042 1.8836 1.8836 1.9971 1.9971 2.6221 2.6221 3.9119 3.9119 4.1005 4.1005 4.4217 4.4217 8.1154 8.1154 10.7051 10.7051 11.1290 11.1290 18.9541 18.9541 k = 0.2021 0.1167 0.0825 ( 2024 PWs) bands (ev): -16.9687 -16.9687 -16.2156 -16.2156 -14.3056 -14.3056 -3.3606 -3.3606 1.1272 1.1272 1.4153 1.4153 1.4967 1.4967 1.8721 1.8721 1.9830 1.9830 2.6735 2.6735 3.9423 3.9423 4.1219 4.1219 4.4530 4.4530 8.0954 8.0954 10.6689 10.6689 11.1217 11.1217 19.0098 19.0098 k = 0.2128 0.1228 0.0869 ( 2018 PWs) bands (ev): -16.9551 -16.9551 -16.2205 -16.2205 -14.3109 -14.3109 -3.4025 -3.4025 1.1111 1.1111 1.4036 1.4036 1.4894 1.4894 1.8602 1.8602 1.9684 1.9684 2.7259 2.7259 3.9726 3.9726 4.1435 4.1435 4.4806 4.4806 8.0761 8.0761 10.6340 10.6340 11.1146 11.1146 19.0664 19.0664 k = 0.2234 0.1290 0.0912 ( 2018 PWs) bands (ev): -16.9411 -16.9411 -16.2258 -16.2258 -14.3163 -14.3163 -3.4449 -3.4449 1.0977 1.0977 1.3924 1.3924 1.4825 1.4825 1.8477 1.8477 1.9534 1.9534 2.7790 2.7790 4.0028 4.0028 4.1652 4.1652 4.5045 4.5045 8.0576 8.0576 10.6006 10.6006 11.1076 11.1076 19.1236 19.1236 k = 0.2340 0.1351 0.0955 ( 2021 PWs) bands (ev): -16.9266 -16.9266 -16.2314 -16.2314 -14.3218 -14.3218 -3.4878 -3.4878 1.0867 1.0867 1.3818 1.3818 1.4759 1.4759 1.8349 1.8349 1.9380 1.9380 2.8326 2.8326 4.0327 4.0327 4.1869 4.1869 4.5243 4.5243 8.0400 8.0400 10.5689 10.5689 11.1009 11.1009 19.1811 19.1811 k = 0.2447 0.1413 0.0999 ( 2015 PWs) bands (ev): -16.9117 -16.9117 -16.2374 -16.2374 -14.3274 -14.3274 -3.5307 -3.5307 1.0782 1.0782 1.3718 1.3718 1.4697 1.4697 1.8219 1.8219 1.9221 1.9221 2.8863 2.8863 4.0622 4.0622 4.2086 4.2086 4.5400 4.5400 8.0237 8.0237 10.5388 10.5388 11.0943 11.0943 19.2388 19.2388 k = 0.2553 0.1474 0.1042 ( 2027 PWs) bands (ev): -16.8963 -16.8963 -16.2437 -16.2437 -14.3330 -14.3330 -3.5737 -3.5737 1.0721 1.0721 1.3626 1.3626 1.4640 1.4640 1.8085 1.8085 1.9060 1.9060 2.9397 2.9397 4.0913 4.0913 4.2301 4.2301 4.5516 4.5516 8.0086 8.0086 10.5105 10.5105 11.0881 11.0881 19.2963 19.2963 k = 0.2660 0.1536 0.1086 ( 2021 PWs) bands (ev): -16.8806 -16.8806 -16.2503 -16.2503 -14.3386 -14.3386 -3.6164 -3.6164 1.0681 1.0681 1.3542 1.3542 1.4588 1.4588 1.7951 1.7951 1.8896 1.8896 2.9926 2.9926 4.1199 4.1199 4.2514 4.2514 4.5593 4.5593 7.9948 7.9948 10.4840 10.4840 11.0821 11.0821 19.3533 19.3533 k = 0.2766 0.1597 0.1129 ( 2015 PWs) bands (ev): -16.8645 -16.8645 -16.2573 -16.2573 -14.3442 -14.3442 -3.6586 -3.6586 1.0662 1.0662 1.3469 1.3469 1.4542 1.4542 1.7815 1.7815 1.8730 1.8730 3.0446 3.0446 4.1479 4.1479 4.2723 4.2723 4.5633 4.5633 7.9824 7.9824 10.4593 10.4593 11.0764 11.0764 19.4095 19.4095 k = 0.2872 0.1658 0.1173 ( 2012 PWs) bands (ev): -16.8481 -16.8481 -16.2647 -16.2647 -14.3498 -14.3498 -3.7001 -3.7001 1.0662 1.0662 1.3406 1.3406 1.4501 1.4501 1.7679 1.7679 1.8562 1.8562 3.0953 3.0953 4.1752 4.1752 4.2928 4.2928 4.5639 4.5639 7.9714 7.9714 10.4363 10.4363 11.0711 11.0711 19.4647 19.4647 k = 0.2979 0.1720 0.1216 ( 2012 PWs) bands (ev): -16.8314 -16.8314 -16.2725 -16.2725 -14.3554 -14.3554 -3.7409 -3.7409 1.0677 1.0677 1.3356 1.3356 1.4466 1.4466 1.7543 1.7543 1.8393 1.8393 3.1443 3.1443 4.2017 4.2017 4.3128 4.3128 4.5613 4.5613 7.9617 7.9617 10.4150 10.4150 11.0661 11.0661 19.5185 19.5185 k = 0.3085 0.1781 0.1259 ( 2018 PWs) bands (ev): -16.8145 -16.8145 -16.2807 -16.2807 -14.3609 -14.3609 -3.7806 -3.7806 1.0706 1.0706 1.3319 1.3319 1.4437 1.4437 1.7409 1.7409 1.8222 1.8222 3.1912 3.1912 4.2273 4.2273 4.3322 4.3322 4.5562 4.5562 7.9532 7.9532 10.3954 10.3954 11.0614 11.0614 19.5707 19.5707 k = 0.3191 0.1843 0.1303 ( 2018 PWs) bands (ev): -16.7974 -16.7974 -16.2892 -16.2892 -14.3662 -14.3662 -3.8193 -3.8193 1.0745 1.0745 1.3297 1.3297 1.4415 1.4415 1.7276 1.7276 1.8052 1.8052 3.2357 3.2357 4.2521 4.2521 4.3510 4.3510 4.5491 4.5491 7.9460 7.9460 10.3774 10.3774 11.0571 11.0571 19.6211 19.6211 k = 0.3298 0.1904 0.1346 ( 2030 PWs) bands (ev): -16.7801 -16.7801 -16.2982 -16.2982 -14.3715 -14.3715 -3.8566 -3.8566 1.0792 1.0792 1.3291 1.3291 1.4400 1.4400 1.7145 1.7145 1.7882 1.7882 3.2771 3.2771 4.2758 4.2758 4.3690 4.3690 4.5405 4.5405 7.9398 7.9398 10.3608 10.3608 11.0531 11.0531 19.6694 19.6694 k = 0.3404 0.1965 0.1390 ( 2030 PWs) bands (ev): -16.7627 -16.7627 -16.3075 -16.3075 -14.3766 -14.3766 -3.8924 -3.8924 1.0842 1.0842 1.3302 1.3302 1.4391 1.4391 1.7017 1.7017 1.7713 1.7713 3.3153 3.3153 4.2984 4.2984 4.3863 4.3863 4.5310 4.5310 7.9345 7.9345 10.3457 10.3457 11.0494 11.0494 19.7155 19.7155 k = 0.3511 0.2027 0.1433 ( 2024 PWs) bands (ev): -16.7451 -16.7451 -16.3173 -16.3173 -14.3815 -14.3815 -3.9265 -3.9265 1.0894 1.0894 1.3331 1.3331 1.4390 1.4390 1.6893 1.6893 1.7546 1.7546 3.3499 3.3499 4.3199 4.3199 4.4028 4.4028 4.5213 4.5213 7.9302 7.9302 10.3320 10.3320 11.0461 11.0461 19.7591 19.7591 k = 0.3617 0.2088 0.1477 ( 2024 PWs) bands (ev): -16.7275 -16.7275 -16.3275 -16.3275 -14.3862 -14.3862 -3.9589 -3.9589 1.0944 1.0944 1.3378 1.3378 1.4395 1.4395 1.6773 1.6773 1.7381 1.7381 3.3805 3.3805 4.3401 4.3401 4.4183 4.4183 4.5118 4.5118 7.9265 7.9265 10.3195 10.3195 11.0431 11.0431 19.8001 19.8001 k = 0.3723 0.2150 0.1520 ( 2024 PWs) bands (ev): -16.7099 -16.7099 -16.3380 -16.3380 -14.3906 -14.3906 -3.9895 -3.9895 1.0990 1.0990 1.3442 1.3442 1.4408 1.4408 1.6658 1.6658 1.7218 1.7218 3.4069 3.4069 4.3590 4.3590 4.4329 4.4329 4.5032 4.5032 7.9235 7.9235 10.3082 10.3082 11.0403 11.0403 19.8383 19.8383 k = 0.3830 0.2211 0.1564 ( 2030 PWs) bands (ev): -16.6923 -16.6923 -16.3490 -16.3490 -14.3948 -14.3948 -4.0180 -4.0180 1.1032 1.1032 1.3521 1.3521 1.4427 1.4427 1.6549 1.6549 1.7059 1.7059 3.4291 3.4291 4.3765 4.3765 4.4466 4.4466 4.4959 4.4959 7.9211 7.9211 10.2980 10.2980 11.0379 11.0379 19.8530 19.8530 k = 0.3936 0.2273 0.1607 ( 2033 PWs) bands (ev): -16.6748 -16.6748 -16.3603 -16.3603 -14.3988 -14.3988 -4.0445 -4.0445 1.1068 1.1068 1.3613 1.3613 1.4452 1.4452 1.6445 1.6445 1.6903 1.6903 3.4470 3.4470 4.3925 4.3925 4.4591 4.4591 4.4901 4.4901 7.9190 7.9190 10.2890 10.2890 11.0358 11.0358 19.8601 19.8601 k = 0.4043 0.2334 0.1650 ( 2033 PWs) bands (ev): -16.6574 -16.6574 -16.3720 -16.3720 -14.4024 -14.4024 -4.0686 -4.0686 1.1098 1.1098 1.3714 1.3714 1.4484 1.4484 1.6348 1.6348 1.6753 1.6753 3.4609 3.4609 4.4070 4.4070 4.4706 4.4706 4.4862 4.4862 7.9173 7.9173 10.2809 10.2809 11.0339 11.0339 19.8655 19.8655 k = 0.4149 0.2395 0.1694 ( 2033 PWs) bands (ev): -16.6401 -16.6401 -16.3841 -16.3841 -14.4057 -14.4057 -4.0905 -4.0905 1.1122 1.1122 1.3821 1.3821 1.4520 1.4520 1.6258 1.6258 1.6609 1.6609 3.4711 3.4711 4.4197 4.4197 4.4810 4.4810 4.4840 4.4840 7.9160 7.9160 10.2738 10.2738 11.0322 11.0322 19.8705 19.8705 k = 0.4255 0.2457 0.1737 ( 2027 PWs) bands (ev): -16.6231 -16.6231 -16.3964 -16.3964 -14.4086 -14.4086 -4.1100 -4.1100 1.1142 1.1142 1.3930 1.3930 1.4562 1.4562 1.6176 1.6176 1.6472 1.6472 3.4781 3.4781 4.4307 4.4307 4.4836 4.4836 4.4903 4.4903 7.9148 7.9148 10.2676 10.2676 11.0308 11.0308 19.8753 19.8753 k = 0.4362 0.2518 0.1781 ( 2033 PWs) bands (ev): -16.6064 -16.6064 -16.4091 -16.4091 -14.4112 -14.4112 -4.1271 -4.1271 1.1157 1.1157 1.4036 1.4036 1.4607 1.4607 1.6102 1.6102 1.6343 1.6343 3.4825 3.4825 4.4398 4.4398 4.4847 4.4847 4.4983 4.4983 7.9139 7.9139 10.2623 10.2623 11.0296 11.0296 19.8801 19.8801 k = 0.4468 0.2580 0.1824 ( 2033 PWs) bands (ev): -16.5901 -16.5901 -16.4219 -16.4219 -14.4134 -14.4134 -4.1416 -4.1416 1.1169 1.1169 1.4135 1.4135 1.4654 1.4654 1.6037 1.6037 1.6225 1.6225 3.4847 3.4847 4.4471 4.4471 4.4868 4.4868 4.5052 4.5052 7.9131 7.9131 10.2579 10.2579 11.0287 11.0287 19.8846 19.8846 k = 0.4574 0.2641 0.1868 ( 2027 PWs) bands (ev): -16.5744 -16.5744 -16.4347 -16.4347 -14.4153 -14.4153 -4.1535 -4.1535 1.1178 1.1178 1.4223 1.4223 1.4701 1.4701 1.5983 1.5983 1.6120 1.6120 3.4856 3.4856 4.4527 4.4527 4.4896 4.4896 4.5108 4.5108 7.9125 7.9125 10.2542 10.2542 11.0279 11.0279 19.8888 19.8888 k = 0.4681 0.2702 0.1911 ( 2030 PWs) bands (ev): -16.5597 -16.5597 -16.4471 -16.4471 -14.4167 -14.4167 -4.1629 -4.1629 1.1185 1.1185 1.4296 1.4296 1.4744 1.4744 1.5938 1.5938 1.6031 1.6031 3.4856 3.4856 4.4569 4.4569 4.4924 4.4924 4.5152 4.5152 7.9121 7.9121 10.2515 10.2515 11.0273 11.0273 19.8923 19.8923 k = 0.4787 0.2764 0.1954 ( 2030 PWs) bands (ev): -16.5466 -16.5466 -16.4586 -16.4586 -14.4178 -14.4178 -4.1696 -4.1696 1.1189 1.1189 1.4351 1.4351 1.4779 1.4779 1.5905 1.5905 1.5963 1.5963 3.4852 3.4852 4.4598 4.4598 4.4947 4.4947 4.5184 4.5184 7.9117 7.9117 10.2495 10.2495 11.0268 11.0268 19.8950 19.8950 k = 0.4894 0.2825 0.1998 ( 2036 PWs) bands (ev): -16.5367 -16.5367 -16.4675 -16.4675 -14.4184 -14.4184 -4.1736 -4.1736 1.1191 1.1191 1.4385 1.4385 1.4803 1.4803 1.5885 1.5885 1.5919 1.5919 3.4848 3.4848 4.4615 4.4615 4.4962 4.4962 4.5203 4.5203 7.9116 7.9116 10.2483 10.2483 11.0266 11.0266 19.8966 19.8966 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -16.5327 -16.5327 -16.4712 -16.4712 -14.4186 -14.4186 -4.1750 -4.1750 1.1192 1.1192 1.4397 1.4397 1.4812 1.4812 1.5879 1.5879 1.5904 1.5904 3.4847 3.4847 4.4620 4.4620 4.4968 4.4968 4.5209 4.5209 7.9115 7.9115 10.2479 10.2479 11.0265 11.0265 19.8972 19.8972 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -16.5327 -16.5327 -16.4712 -16.4712 -14.4186 -14.4186 -4.1750 -4.1750 1.1192 1.1192 1.4397 1.4397 1.4812 1.4812 1.5879 1.5879 1.5904 1.5904 3.4847 3.4847 4.4620 4.4620 4.4968 4.4968 4.5209 4.5209 7.9115 7.9115 10.2479 10.2479 11.0265 11.0265 19.8972 19.8972 k = 0.5038 0.2777 0.2103 ( 2036 PWs) bands (ev): -16.5326 -16.5326 -16.4711 -16.4711 -14.4187 -14.4187 -4.1755 -4.1755 1.1153 1.1153 1.4353 1.4353 1.4659 1.4659 1.5981 1.5981 1.6047 1.6047 3.4840 3.4840 4.4618 4.4618 4.4963 4.4963 4.5207 4.5207 7.9126 7.9126 10.2489 10.2489 11.0267 11.0267 19.8995 19.8995 k = 0.5076 0.2668 0.2165 ( 2031 PWs) bands (ev): -16.5321 -16.5321 -16.4709 -16.4709 -14.4190 -14.4190 -4.1771 -4.1771 1.1041 1.1041 1.4204 1.4204 1.4382 1.4382 1.6190 1.6190 1.6408 1.6408 3.4821 3.4821 4.4609 4.4609 4.4949 4.4949 4.5199 4.5199 7.9160 7.9160 10.2520 10.2520 11.0273 11.0273 19.9063 19.9063 k = 0.5114 0.2559 0.2227 ( 2025 PWs) bands (ev): -16.5314 -16.5314 -16.4707 -16.4707 -14.4196 -14.4196 -4.1798 -4.1798 1.0864 1.0864 1.3883 1.3883 1.4209 1.4209 1.6487 1.6487 1.6835 1.6835 3.4788 3.4788 4.4595 4.4595 4.4927 4.4927 4.5187 4.5187 7.9215 7.9215 10.2570 10.2570 11.0284 11.0284 19.9166 19.9166 k = 0.5152 0.2449 0.2289 ( 2027 PWs) bands (ev): -16.5303 -16.5303 -16.4703 -16.4703 -14.4204 -14.4204 -4.1835 -4.1835 1.0635 1.0635 1.3501 1.3501 1.4086 1.4086 1.6839 1.6839 1.7292 1.7292 3.4743 3.4743 4.4574 4.4574 4.4894 4.4894 4.5174 4.5174 7.9292 7.9292 10.2640 10.2640 11.0299 11.0299 19.9269 19.9269 k = 0.5189 0.2340 0.2351 ( 2027 PWs) bands (ev): -16.5290 -16.5290 -16.4698 -16.4698 -14.4214 -14.4214 -4.1882 -4.1882 1.0367 1.0367 1.3114 1.3114 1.3975 1.3975 1.7222 1.7222 1.7766 1.7766 3.4683 3.4683 4.4548 4.4548 4.4853 4.4853 4.5160 4.5160 7.9389 7.9389 10.2729 10.2729 11.0318 11.0318 19.9219 19.9219 k = 0.5227 0.2231 0.2412 ( 2024 PWs) bands (ev): -16.5273 -16.5273 -16.4692 -16.4692 -14.4226 -14.4226 -4.1939 -4.1939 1.0070 1.0070 1.2735 1.2735 1.3873 1.3873 1.7624 1.7624 1.8254 1.8254 3.4609 3.4609 4.4514 4.4514 4.4803 4.4803 4.5149 4.5149 7.9504 7.9504 10.2837 10.2837 11.0341 11.0341 19.8844 19.8844 k = 0.5265 0.2121 0.2474 ( 2022 PWs) bands (ev): -16.5254 -16.5254 -16.4686 -16.4686 -14.4240 -14.4240 -4.2005 -4.2005 0.9753 0.9753 1.2369 1.2369 1.3776 1.3776 1.8034 1.8034 1.8752 1.8752 3.4520 3.4520 4.4475 4.4475 4.4747 4.4747 4.5139 4.5139 7.9637 7.9637 10.2962 10.2962 11.0369 11.0369 19.8283 19.8283 k = 0.5303 0.2012 0.2536 ( 2028 PWs) bands (ev): -16.5233 -16.5233 -16.4678 -16.4678 -14.4256 -14.4256 -4.2081 -4.2081 0.9422 0.9422 1.2018 1.2018 1.3684 1.3684 1.8446 1.8446 1.9259 1.9259 3.4417 3.4417 4.4430 4.4430 4.4685 4.4685 4.5133 4.5133 7.9787 7.9787 10.3103 10.3103 11.0402 11.0402 19.7630 19.7630 k = 0.5341 0.1903 0.2598 ( 2028 PWs) bands (ev): -16.5209 -16.5209 -16.4669 -16.4669 -14.4274 -14.4274 -4.2165 -4.2165 0.9081 0.9081 1.1685 1.1685 1.3596 1.3596 1.8856 1.8856 1.9770 1.9770 3.4297 3.4297 4.4381 4.4381 4.4619 4.4619 4.5130 4.5130 7.9950 7.9950 10.3260 10.3260 11.0440 11.0440 19.6919 19.6919 k = 0.5379 0.1793 0.2660 ( 2020 PWs) bands (ev): -16.5183 -16.5183 -16.4660 -16.4660 -14.4294 -14.4294 -4.2256 -4.2256 0.8733 0.8733 1.1371 1.1371 1.3511 1.3511 1.9261 1.9261 2.0284 2.0284 3.4163 3.4163 4.4330 4.4330 4.4550 4.4550 4.5131 4.5131 8.0126 8.0126 10.3430 10.3430 11.0483 11.0483 19.6167 19.6167 k = 0.5417 0.1684 0.2722 ( 2018 PWs) bands (ev): -16.5155 -16.5155 -16.4649 -16.4649 -14.4315 -14.4315 -4.2354 -4.2354 0.8380 0.8380 1.1078 1.1078 1.3431 1.3431 1.9658 1.9658 2.0798 2.0798 3.4013 3.4013 4.4278 4.4278 4.4481 4.4481 4.5136 4.5136 8.0312 8.0312 10.3613 10.3613 11.0532 11.0532 19.5388 19.5388 k = 0.5455 0.1575 0.2784 ( 2020 PWs) bands (ev): -16.5125 -16.5125 -16.4638 -16.4638 -14.4338 -14.4338 -4.2458 -4.2458 0.8024 0.8024 1.0804 1.0804 1.3357 1.3357 2.0046 2.0046 2.1307 2.1307 3.3847 3.3847 4.4222 4.4222 4.4416 4.4416 4.5144 4.5144 8.0507 8.0507 10.3807 10.3807 11.0587 11.0587 19.4590 19.4590 k = 0.5492 0.1465 0.2845 ( 2021 PWs) bands (ev): -16.5093 -16.5093 -16.4626 -16.4626 -14.4363 -14.4363 -4.2568 -4.2568 0.7664 0.7664 1.0549 1.0549 1.3292 1.3292 2.0423 2.0423 2.1809 2.1809 3.3668 3.3668 4.4160 4.4160 4.4361 4.4361 4.5155 4.5155 8.0708 8.0708 10.4009 10.4009 11.0650 11.0650 19.3782 19.3782 k = 0.5530 0.1356 0.2907 ( 2021 PWs) bands (ev): -16.5061 -16.5061 -16.4613 -16.4613 -14.4388 -14.4388 -4.2682 -4.2682 0.7304 0.7304 1.0310 1.0310 1.3238 1.3238 2.0790 2.0790 2.2301 2.2301 3.3476 3.3476 4.4084 4.4084 4.4324 4.4324 4.5170 4.5170 8.0914 8.0914 10.4219 10.4219 11.0720 11.0720 19.2969 19.2969 k = 0.5568 0.1247 0.2969 ( 2017 PWs) bands (ev): -16.5028 -16.5028 -16.4598 -16.4598 -14.4415 -14.4415 -4.2799 -4.2799 0.6944 0.6944 1.0084 1.0084 1.3199 1.3199 2.1145 2.1145 2.2779 2.2779 3.3271 3.3271 4.3994 4.3994 4.4308 4.4308 4.5189 4.5189 8.1123 8.1123 10.4434 10.4434 11.0798 11.0798 19.2158 19.2158 k = 0.5606 0.1137 0.3031 ( 2015 PWs) bands (ev): -16.4995 -16.4995 -16.4582 -16.4582 -14.4442 -14.4442 -4.2919 -4.2919 0.6586 0.6586 0.9869 0.9869 1.3177 1.3177 2.1488 2.1488 2.3241 2.3241 3.3057 3.3057 4.3892 4.3892 4.4312 4.4312 4.5211 4.5211 8.1332 8.1332 10.4652 10.4652 11.0886 11.0886 19.1352 19.1352 k = 0.5644 0.1028 0.3093 ( 2017 PWs) bands (ev): -16.4962 -16.4962 -16.4565 -16.4565 -14.4470 -14.4470 -4.3041 -4.3041 0.6230 0.6230 0.9661 0.9661 1.3175 1.3175 2.1818 2.1818 2.3685 2.3685 3.2835 3.2835 4.3780 4.3780 4.4335 4.4335 4.5235 4.5235 8.1541 8.1541 10.4870 10.4870 11.0984 11.0984 19.0557 19.0557 k = 0.5682 0.0919 0.3155 ( 2021 PWs) bands (ev): -16.4931 -16.4931 -16.4545 -16.4545 -14.4499 -14.4499 -4.3163 -4.3163 0.5878 0.5878 0.9455 0.9455 1.3198 1.3198 2.2134 2.2134 2.4109 2.4109 3.2608 3.2608 4.3659 4.3659 4.4375 4.4375 4.5263 4.5263 8.1747 8.1747 10.5087 10.5087 11.1093 11.1093 18.9775 18.9775 k = 0.5720 0.0809 0.3217 ( 2021 PWs) bands (ev): -16.4902 -16.4902 -16.4523 -16.4523 -14.4528 -14.4528 -4.3284 -4.3284 0.5531 0.5531 0.9250 0.9250 1.3246 1.3246 2.2438 2.2438 2.4510 2.4510 3.2377 3.2377 4.3531 4.3531 4.4431 4.4431 4.5294 4.5294 8.1948 8.1948 10.5301 10.5301 11.1215 11.1215 18.9010 18.9010 k = 0.5758 0.0700 0.3278 ( 2031 PWs) bands (ev): -16.4876 -16.4876 -16.4498 -16.4498 -14.4557 -14.4557 -4.3404 -4.3404 0.5190 0.5190 0.9042 0.9042 1.3322 1.3322 2.2727 2.2727 2.4887 2.4887 3.2147 3.2147 4.3394 4.3394 4.4502 4.4502 4.5328 4.5328 8.2144 8.2144 10.5508 10.5508 11.1349 11.1349 18.8265 18.8265 k = 0.5795 0.0590 0.3340 ( 2027 PWs) bands (ev): -16.4854 -16.4854 -16.4470 -16.4470 -14.4585 -14.4585 -4.3520 -4.3520 0.4858 0.4858 0.8829 0.8829 1.3427 1.3427 2.3003 2.3003 2.5238 2.5238 3.1920 3.1920 4.3250 4.3250 4.4586 4.4586 4.5365 4.5365 8.2332 8.2332 10.5708 10.5708 11.1497 11.1497 18.7543 18.7543 k = 0.5833 0.0481 0.3402 ( 2025 PWs) bands (ev): -16.4837 -16.4837 -16.4437 -16.4437 -14.4614 -14.4614 -4.3632 -4.3632 0.4533 0.4533 0.8610 0.8610 1.3561 1.3561 2.3264 2.3264 2.5563 2.5563 3.1698 3.1698 4.3099 4.3099 4.4682 4.4682 4.5404 4.5404 8.2511 8.2511 10.5899 10.5899 11.1659 11.1659 18.6846 18.6846 k = 0.5871 0.0372 0.3464 ( 2029 PWs) bands (ev): -16.4824 -16.4824 -16.4401 -16.4401 -14.4641 -14.4641 -4.3740 -4.3740 0.4218 0.4218 0.8384 0.8384 1.3724 1.3724 2.3510 2.3510 2.5861 2.5861 3.1486 3.1486 4.2940 4.2940 4.4789 4.4789 4.5445 4.5445 8.2680 8.2680 10.6078 10.6078 11.1835 11.1835 18.6177 18.6177 k = 0.5909 0.0262 0.3526 ( 2029 PWs) bands (ev): -16.4817 -16.4817 -16.4361 -16.4361 -14.4668 -14.4668 -4.3841 -4.3841 0.3913 0.3913 0.8151 0.8151 1.3914 1.3914 2.3742 2.3742 2.6132 2.6132 3.1285 3.1285 4.2774 4.2774 4.4903 4.4903 4.5489 4.5489 8.2837 8.2837 10.6244 10.6244 11.2025 11.2025 18.5538 18.5538 k = 0.5947 0.0153 0.3588 ( 2028 PWs) bands (ev): -16.4815 -16.4815 -16.4318 -16.4318 -14.4694 -14.4694 -4.3934 -4.3934 0.3619 0.3619 0.7911 0.7911 1.4129 1.4129 2.3960 2.3960 2.6375 2.6375 3.1099 3.1099 4.2600 4.2600 4.5023 4.5023 4.5535 4.5535 8.2982 8.2982 10.6398 10.6398 11.2229 11.2229 18.4931 18.4931 k = 0.5985 0.0044 0.3649 ( 2030 PWs) bands (ev): -16.4818 -16.4818 -16.4272 -16.4272 -14.4718 -14.4718 -4.4019 -4.4019 0.3336 0.3336 0.7666 0.7666 1.4368 1.4368 2.4163 2.4163 2.6590 2.6590 3.0930 3.0930 4.2420 4.2420 4.5146 4.5146 4.5582 4.5582 8.3113 8.3113 10.6537 10.6537 11.2445 11.2445 18.4357 18.4357 k = 0.6023-0.0066 0.3711 ( 2036 PWs) bands (ev): -16.4826 -16.4826 -16.4223 -16.4223 -14.4741 -14.4741 -4.4095 -4.4095 0.3065 0.3065 0.7415 0.7415 1.4628 1.4628 2.4351 2.4351 2.6778 2.6778 3.0782 3.0782 4.2232 4.2232 4.5271 4.5271 4.5631 4.5631 8.3228 8.3228 10.6662 10.6662 11.2673 11.2673 18.3820 18.3820 k = 0.6061-0.0175 0.3773 ( 2038 PWs) bands (ev): -16.4840 -16.4840 -16.4173 -16.4173 -14.4763 -14.4763 -4.4161 -4.4161 0.2807 0.2807 0.7161 0.7161 1.4905 1.4905 2.4526 2.4526 2.6939 2.6939 3.0656 3.0656 4.2037 4.2037 4.5394 4.5394 4.5682 4.5682 8.3328 8.3328 10.6772 10.6772 11.2911 11.2911 18.3320 18.3320 k = 0.6098-0.0284 0.3835 ( 2042 PWs) bands (ev): -16.4858 -16.4858 -16.4121 -16.4121 -14.4782 -14.4782 -4.4216 -4.4216 0.2562 0.2562 0.6904 0.6904 1.5196 1.5196 2.4686 2.4686 2.7074 2.7074 3.0554 3.0554 4.1836 4.1836 4.5514 4.5514 4.5734 4.5734 8.3411 8.3411 10.6869 10.6869 11.3157 11.3157 18.2860 18.2860 k = 0.6136-0.0394 0.3897 ( 2042 PWs) bands (ev): -16.4881 -16.4881 -16.4068 -16.4068 -14.4799 -14.4799 -4.4259 -4.4259 0.2331 0.2331 0.6647 0.6647 1.5499 1.5499 2.4832 2.4832 2.7183 2.7183 3.0480 3.0480 4.1628 4.1628 4.5627 4.5627 4.5789 4.5789 8.3475 8.3475 10.6951 10.6951 11.3410 11.3410 18.2439 18.2439 k = 0.6174-0.0503 0.3959 ( 2042 PWs) bands (ev): -16.4910 -16.4910 -16.4014 -16.4014 -14.4813 -14.4813 -4.4288 -4.4288 0.2113 0.2113 0.6390 0.6390 1.5810 1.5810 2.4965 2.4965 2.7269 2.7269 3.0434 3.0434 4.1415 4.1415 4.5729 4.5729 4.5850 4.5850 8.3520 8.3520 10.7019 10.7019 11.3668 11.3668 18.2060 18.2060 k = 0.6212-0.0612 0.4021 ( 2042 PWs) bands (ev): -16.4943 -16.4943 -16.3959 -16.3959 -14.4825 -14.4825 -4.4305 -4.4305 0.1910 0.1910 0.6135 0.6135 1.6125 1.6125 2.5085 2.5085 2.7330 2.7330 3.0417 3.0417 4.1197 4.1197 4.5812 4.5812 4.5921 4.5921 8.3545 8.3545 10.7074 10.7074 11.3929 11.3929 18.1723 18.1723 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.6184-0.0684 0.4190 ( 2045 PWs) bands (ev): -16.4980 -16.4980 -16.3905 -16.3905 -14.4835 -14.4835 -4.4311 -4.4311 0.1737 0.1737 0.5889 0.5889 1.6404 1.6404 2.5212 2.5212 2.7370 2.7370 3.0416 3.0416 4.0986 4.0986 4.5810 4.5810 4.6070 4.6070 8.3551 8.3551 10.7117 10.7117 11.4185 11.4185 18.1437 18.1437 k = 0.6118-0.0646 0.4297 ( 2045 PWs) bands (ev): -16.4975 -16.4975 -16.3909 -16.3909 -14.4836 -14.4836 -4.4321 -4.4321 0.1784 0.1784 0.5905 0.5905 1.6294 1.6294 2.5273 2.5273 2.7373 2.7373 3.0376 3.0376 4.1013 4.1013 4.5709 4.5709 4.6181 4.6181 8.3557 8.3557 10.7118 10.7118 11.4169 11.4169 18.1461 18.1461 k = 0.6053-0.0608 0.4405 ( 2045 PWs) bands (ev): -16.4966 -16.4966 -16.3915 -16.3915 -14.4838 -14.4838 -4.4338 -4.4338 0.1860 0.1860 0.5931 0.5931 1.6116 1.6116 2.5369 2.5369 2.7376 2.7376 3.0311 3.0311 4.1059 4.1059 4.5604 4.5604 4.6299 4.6299 8.3567 8.3567 10.7120 10.7120 11.4143 11.4143 18.1499 18.1499 k = 0.5987-0.0570 0.4512 ( 2043 PWs) bands (ev): -16.4953 -16.4953 -16.3923 -16.3923 -14.4840 -14.4840 -4.4361 -4.4361 0.1965 0.1965 0.5968 0.5968 1.5877 1.5877 2.5494 2.5494 2.7382 2.7382 3.0222 3.0222 4.1123 4.1123 4.5501 4.5501 4.6421 4.6421 8.3580 8.3580 10.7123 10.7123 11.4107 11.4107 18.1550 18.1550 k = 0.5921-0.0532 0.4620 ( 2043 PWs) bands (ev): -16.4937 -16.4937 -16.3934 -16.3934 -14.4843 -14.4843 -4.4390 -4.4390 0.2096 0.2096 0.6018 0.6018 1.5584 1.5584 2.5640 2.5640 2.7389 2.7389 3.0111 3.0111 4.1203 4.1203 4.5399 4.5399 4.6543 4.6543 8.3598 8.3598 10.7126 10.7126 11.4062 11.4062 18.1610 18.1610 k = 0.5855-0.0494 0.4727 ( 2043 PWs) bands (ev): -16.4917 -16.4917 -16.3947 -16.3947 -14.4847 -14.4847 -4.4423 -4.4423 0.2251 0.2251 0.6081 0.6081 1.5246 1.5246 2.5801 2.5801 2.7398 2.7398 2.9982 2.9982 4.1301 4.1301 4.5296 4.5296 4.6666 4.6666 8.3619 8.3619 10.7131 10.7131 11.4009 11.4009 18.1677 18.1677 k = 0.5789-0.0456 0.4835 ( 2043 PWs) bands (ev): -16.4895 -16.4895 -16.3963 -16.3963 -14.4851 -14.4851 -4.4461 -4.4461 0.2424 0.2424 0.6160 0.6160 1.4872 1.4872 2.5968 2.5968 2.7409 2.7409 2.9838 2.9838 4.1414 4.1414 4.5193 4.5193 4.6787 4.6787 8.3643 8.3643 10.7137 10.7137 11.3949 11.3949 18.1745 18.1745 k = 0.5724-0.0418 0.4942 ( 2030 PWs) bands (ev): -16.4868 -16.4868 -16.3982 -16.3982 -14.4855 -14.4855 -4.4502 -4.4502 0.2612 0.2612 0.6257 0.6257 1.4467 1.4467 2.6134 2.6134 2.7422 2.7422 2.9684 2.9684 4.1542 4.1542 4.5088 4.5088 4.6904 4.6904 8.3669 8.3669 10.7144 10.7144 11.3884 11.3884 18.1813 18.1813 k = 0.5658-0.0380 0.5049 ( 2032 PWs) bands (ev): -16.4839 -16.4839 -16.4003 -16.4003 -14.4860 -14.4860 -4.4545 -4.4545 0.2808 0.2808 0.6374 0.6374 1.4040 1.4040 2.6295 2.6295 2.7437 2.7437 2.9521 2.9521 4.1684 4.1684 4.4980 4.4980 4.7017 4.7017 8.3698 8.3698 10.7152 10.7152 11.3815 11.3815 18.1876 18.1876 k = 0.5592-0.0342 0.5157 ( 2032 PWs) bands (ev): -16.4806 -16.4806 -16.4027 -16.4027 -14.4865 -14.4865 -4.4590 -4.4590 0.3008 0.3008 0.6514 0.6514 1.3597 1.3597 2.6444 2.6444 2.7456 2.7456 2.9356 2.9356 4.1838 4.1838 4.4868 4.4868 4.7123 4.7123 8.3729 8.3729 10.7162 10.7162 11.3743 11.3743 18.1933 18.1933 k = 0.5526-0.0304 0.5264 ( 2024 PWs) bands (ev): -16.4771 -16.4771 -16.4055 -16.4055 -14.4870 -14.4870 -4.4634 -4.4634 0.3203 0.3203 0.6681 0.6681 1.3143 1.3143 2.6579 2.6579 2.7477 2.7477 2.9192 2.9192 4.2004 4.2004 4.4751 4.4751 4.7221 4.7221 8.3761 8.3761 10.7173 10.7173 11.3671 11.3671 18.1982 18.1982 k = 0.5461-0.0266 0.5372 ( 2024 PWs) bands (ev): -16.4732 -16.4732 -16.4085 -16.4085 -14.4875 -14.4875 -4.4678 -4.4678 0.3386 0.3386 0.6878 0.6878 1.2682 1.2682 2.6697 2.6697 2.7502 2.7502 2.9032 2.9032 4.2178 4.2178 4.4629 4.4629 4.7310 4.7310 8.3793 8.3793 10.7185 10.7185 11.3599 11.3599 18.2021 18.2021 k = 0.5395-0.0228 0.5479 ( 2024 PWs) bands (ev): -16.4691 -16.4691 -16.4118 -16.4118 -14.4880 -14.4880 -4.4720 -4.4720 0.3553 0.3553 0.7106 0.7106 1.2222 1.2222 2.6794 2.6794 2.7529 2.7529 2.8883 2.8883 4.2360 4.2360 4.4500 4.4500 4.7389 4.7389 8.3824 8.3824 10.7197 10.7197 11.3531 11.3531 18.2050 18.2050 k = 0.5329-0.0190 0.5587 ( 2020 PWs) bands (ev): -16.4647 -16.4647 -16.4154 -16.4154 -14.4884 -14.4884 -4.4757 -4.4757 0.3697 0.3697 0.7364 0.7364 1.1766 1.1766 2.6872 2.6872 2.7558 2.7558 2.8746 2.8746 4.2549 4.2549 4.4363 4.4363 4.7456 4.7456 8.3854 8.3854 10.7210 10.7210 11.3467 11.3467 18.2070 18.2070 k = 0.5263-0.0152 0.5694 ( 2016 PWs) bands (ev): -16.4600 -16.4600 -16.4194 -16.4194 -14.4888 -14.4888 -4.4791 -4.4791 0.3816 0.3816 0.7648 0.7648 1.1323 1.1323 2.6931 2.6931 2.7587 2.7587 2.8628 2.8628 4.2741 4.2741 4.4219 4.4219 4.7512 4.7512 8.3882 8.3882 10.7223 10.7223 11.3411 11.3411 18.2082 18.2082 k = 0.5197-0.0114 0.5801 ( 2016 PWs) bands (ev): -16.4552 -16.4552 -16.4237 -16.4237 -14.4892 -14.4892 -4.4819 -4.4819 0.3907 0.3907 0.7948 0.7948 1.0901 1.0901 2.6973 2.6973 2.7614 2.7614 2.8530 2.8530 4.2935 4.2935 4.4065 4.4065 4.7555 4.7555 8.3906 8.3906 10.7234 10.7234 11.3364 11.3364 18.2088 18.2088 k = 0.5132-0.0076 0.5909 ( 2022 PWs) bands (ev): -16.4502 -16.4502 -16.4283 -16.4283 -14.4894 -14.4894 -4.4840 -4.4840 0.3972 0.3972 0.8244 0.8244 1.0520 1.0520 2.7000 2.7000 2.7635 2.7635 2.8457 2.8457 4.3129 4.3129 4.3903 4.3903 4.7586 4.7586 8.3924 8.3924 10.7244 10.7244 11.3327 11.3327 18.2090 18.2090 k = 0.5066-0.0038 0.6016 ( 2024 PWs) bands (ev): -16.4451 -16.4451 -16.4331 -16.4331 -14.4896 -14.4896 -4.4854 -4.4854 0.4009 0.4009 0.8491 0.8491 1.0226 1.0226 2.7015 2.7015 2.7649 2.7649 2.8411 2.8411 4.3316 4.3316 4.3736 4.3736 4.7604 4.7604 8.3937 8.3937 10.7250 10.7250 11.3304 11.3304 18.2090 18.2090 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -16.4414 -16.4414 -16.4367 -16.4367 -14.4897 -14.4897 -4.4859 -4.4859 0.4021 0.4021 0.8595 0.8595 1.0105 1.0105 2.7020 2.7020 2.7654 2.7654 2.8395 2.8395 4.3440 4.3440 4.3618 4.3618 4.7609 4.7609 8.3941 8.3941 10.7253 10.7253 11.3296 11.3296 18.2089 18.2089 k = 0.5000-0.0000 0.6124 ( 2048 PWs) bands (ev): -16.4414 -16.4414 -16.4367 -16.4367 -14.4897 -14.4897 -4.4859 -4.4859 0.4021 0.4021 0.8595 0.8595 1.0105 1.0105 2.7020 2.7020 2.7654 2.7654 2.8395 2.8395 4.3440 4.3440 4.3618 4.3618 4.7609 4.7609 8.3941 8.3941 10.7253 10.7253 11.3296 11.3296 18.2089 18.2089 k = 0.5000 0.0076 0.6016 ( 2024 PWs) bands (ev): -16.4415 -16.4415 -16.4368 -16.4368 -14.4895 -14.4895 -4.4853 -4.4853 0.4027 0.4027 0.8600 0.8600 1.0108 1.0108 2.7011 2.7011 2.7644 2.7644 2.8410 2.8410 4.3441 4.3441 4.3619 4.3619 4.7601 4.7601 8.3936 8.3936 10.7248 10.7248 11.3286 11.3286 18.2112 18.2112 k = 0.5000 0.0152 0.5909 ( 2018 PWs) bands (ev): -16.4419 -16.4419 -16.4371 -16.4371 -14.4892 -14.4892 -4.4837 -4.4837 0.4042 0.4042 0.8611 0.8611 1.0119 1.0119 2.6984 2.6984 2.7613 2.7613 2.8453 2.8453 4.3442 4.3442 4.3620 4.3620 4.7575 4.7575 8.3920 8.3920 10.7233 10.7233 11.3256 11.3256 18.2181 18.2181 k = 0.5000 0.0228 0.5801 ( 2018 PWs) bands (ev): -16.4425 -16.4425 -16.4376 -16.4376 -14.4885 -14.4885 -4.4812 -4.4812 0.4067 0.4067 0.8629 0.8629 1.0136 1.0136 2.6939 2.6939 2.7561 2.7561 2.8525 2.8525 4.3443 4.3443 4.3623 4.3623 4.7531 4.7531 8.3892 8.3892 10.7209 10.7209 11.3207 11.3207 18.2295 18.2295 k = 0.5000 0.0304 0.5694 ( 2018 PWs) bands (ev): -16.4433 -16.4433 -16.4383 -16.4383 -14.4876 -14.4876 -4.4776 -4.4776 0.4103 0.4103 0.8654 0.8654 1.0163 1.0163 2.6875 2.6875 2.7487 2.7487 2.8625 2.8625 4.3445 4.3445 4.3627 4.3627 4.7472 4.7472 8.3854 8.3854 10.7174 10.7174 11.3139 11.3139 18.2455 18.2455 k = 0.5000 0.0380 0.5587 ( 2022 PWs) bands (ev): -16.4445 -16.4445 -16.4391 -16.4391 -14.4865 -14.4865 -4.4730 -4.4730 0.4150 0.4150 0.8683 0.8683 1.0199 1.0199 2.6793 2.6793 2.7393 2.7393 2.8751 2.8751 4.3448 4.3448 4.3632 4.3632 4.7397 4.7397 8.3805 8.3805 10.7129 10.7129 11.3054 11.3054 18.2660 18.2660 k = 0.5000 0.0456 0.5479 ( 2024 PWs) bands (ev): -16.4460 -16.4460 -16.4399 -16.4399 -14.4851 -14.4851 -4.4675 -4.4675 0.4208 0.4208 0.8715 0.8715 1.0246 1.0246 2.6691 2.6691 2.7278 2.7278 2.8903 2.8903 4.3451 4.3451 4.3639 4.3639 4.7308 4.7308 8.3744 8.3744 10.7074 10.7074 11.2953 11.2953 18.2908 18.2908 k = 0.5000 0.0532 0.5372 ( 2028 PWs) bands (ev): -16.4479 -16.4479 -16.4408 -16.4408 -14.4836 -14.4836 -4.4610 -4.4610 0.4278 0.4278 0.8751 0.8751 1.0307 1.0307 2.6570 2.6570 2.7141 2.7141 2.9079 2.9079 4.3456 4.3456 4.3648 4.3648 4.7207 4.7207 8.3673 8.3673 10.7008 10.7008 11.2838 11.2838 18.3200 18.3200 k = 0.5000 0.0608 0.5264 ( 2028 PWs) bands (ev): -16.4500 -16.4500 -16.4417 -16.4417 -14.4818 -14.4818 -4.4537 -4.4537 0.4359 0.4359 0.8788 0.8788 1.0380 1.0380 2.6429 2.6429 2.6983 2.6983 2.9276 2.9276 4.3462 4.3462 4.3659 4.3659 4.7095 4.7095 8.3589 8.3589 10.6930 10.6930 11.2711 11.2711 18.3534 18.3534 k = 0.5000 0.0684 0.5157 ( 2028 PWs) bands (ev): -16.4525 -16.4525 -16.4427 -16.4427 -14.4798 -14.4798 -4.4455 -4.4455 0.4454 0.4454 0.8826 0.8826 1.0468 1.0468 2.6269 2.6269 2.6804 2.6804 2.9494 2.9494 4.3471 4.3471 4.3672 4.3672 4.6974 4.6974 8.3494 8.3494 10.6841 10.6841 11.2575 11.2575 18.3909 18.3909 k = 0.5000 0.0760 0.5049 ( 2028 PWs) bands (ev): -16.4552 -16.4552 -16.4438 -16.4438 -14.4776 -14.4776 -4.4365 -4.4365 0.4561 0.4561 0.8866 0.8866 1.0570 1.0570 2.6088 2.6088 2.6604 2.6604 2.9729 2.9729 4.3482 4.3482 4.3687 4.3687 4.6846 4.6846 8.3387 8.3387 10.6741 10.6741 11.2431 11.2431 18.4323 18.4323 k = 0.5000 0.0836 0.4942 ( 2034 PWs) bands (ev): -16.4582 -16.4582 -16.4449 -16.4449 -14.4753 -14.4753 -4.4269 -4.4269 0.4681 0.4681 0.8909 0.8909 1.0684 1.0684 2.5888 2.5888 2.6382 2.6382 2.9979 2.9979 4.3496 4.3496 4.3704 4.3704 4.6713 4.6713 8.3269 8.3269 10.6627 10.6627 11.2283 11.2283 18.4777 18.4777 k = 0.5000 0.0912 0.4835 ( 2030 PWs) bands (ev): -16.4613 -16.4613 -16.4460 -16.4460 -14.4728 -14.4728 -4.4165 -4.4165 0.4815 0.4815 0.8956 0.8956 1.0812 1.0812 2.5667 2.5667 2.6140 2.6140 3.0241 3.0241 4.3514 4.3514 4.3723 4.3723 4.6577 4.6577 8.3139 8.3139 10.6502 10.6502 11.2131 11.2131 18.5267 18.5267 k = 0.5000 0.0988 0.4727 ( 2030 PWs) bands (ev): -16.4647 -16.4647 -16.4472 -16.4472 -14.4702 -14.4702 -4.4056 -4.4056 0.4963 0.4963 0.9008 0.9008 1.0950 1.0950 2.5426 2.5426 2.5877 2.5877 3.0513 3.0513 4.3535 4.3535 4.3745 4.3745 4.6440 4.6440 8.2999 8.2999 10.6363 10.6363 11.1980 11.1980 18.5793 18.5793 k = 0.5000 0.1064 0.4620 ( 2024 PWs) bands (ev): -16.4682 -16.4682 -16.4485 -16.4485 -14.4675 -14.4675 -4.3941 -4.3941 0.5125 0.5125 0.9067 0.9067 1.1098 1.1098 2.5164 2.5164 2.5595 2.5595 3.0793 3.0793 4.3562 4.3562 4.3769 4.3769 4.6305 4.6305 8.2847 8.2847 10.6212 10.6212 11.1831 11.1831 18.6353 18.6353 k = 0.5000 0.1140 0.4512 ( 2028 PWs) bands (ev): -16.4718 -16.4718 -16.4497 -16.4497 -14.4647 -14.4647 -4.3822 -4.3822 0.5301 0.5301 0.9135 0.9135 1.1254 1.1254 2.4882 2.4882 2.5293 2.5293 3.1077 3.1077 4.3594 4.3594 4.3795 4.3795 4.6172 4.6172 8.2685 8.2685 10.6049 10.6049 11.1686 11.1686 18.6945 18.6945 k = 0.5000 0.1215 0.4405 ( 2024 PWs) bands (ev): -16.4755 -16.4755 -16.4510 -16.4510 -14.4618 -14.4618 -4.3700 -4.3700 0.5491 0.5491 0.9213 0.9213 1.1415 1.1415 2.4578 2.4578 2.4973 2.4973 3.1364 3.1364 4.3630 4.3630 4.3825 4.3825 4.6045 4.6045 8.2514 8.2514 10.5873 10.5873 11.1546 11.1546 18.7567 18.7567 k = 0.5000 0.1291 0.4297 ( 2024 PWs) bands (ev): -16.4793 -16.4793 -16.4524 -16.4524 -14.4589 -14.4589 -4.3575 -4.3575 0.5696 0.5696 0.9303 0.9303 1.1581 1.1581 2.4253 2.4253 2.4635 2.4635 3.1649 3.1649 4.3673 4.3673 4.3857 4.3857 4.5923 4.5923 8.2333 8.2333 10.5688 10.5688 11.1413 11.1413 18.8216 18.8216 k = 0.5000 0.1367 0.4190 ( 2026 PWs) bands (ev): -16.4832 -16.4832 -16.4537 -16.4537 -14.4560 -14.4560 -4.3447 -4.3447 0.5915 0.5915 0.9407 0.9407 1.1750 1.1750 2.3908 2.3908 2.4282 2.4282 3.1932 3.1932 4.3720 4.3720 4.3893 4.3893 4.5809 4.5809 8.2145 8.2145 10.5492 10.5492 11.1288 11.1288 18.8892 18.8892 k = 0.5000 0.1443 0.4082 ( 2026 PWs) bands (ev): -16.4870 -16.4870 -16.4551 -16.4551 -14.4530 -14.4530 -4.3319 -4.3319 0.6148 0.6148 0.9526 0.9526 1.1920 1.1920 2.3542 2.3542 2.3913 2.3913 3.2208 3.2208 4.3772 4.3772 4.3932 4.3932 4.5703 4.5703 8.1950 8.1950 10.5289 10.5289 11.1171 11.1171 18.9591 18.9591 k = 0.5000 0.1519 0.3975 ( 2026 PWs) bands (ev): -16.4909 -16.4909 -16.4564 -16.4564 -14.4501 -14.4501 -4.3191 -4.3191 0.6395 0.6395 0.9661 0.9661 1.2091 1.2091 2.3156 2.3156 2.3531 2.3531 3.2477 3.2477 4.3829 4.3829 4.3976 4.3976 4.5607 4.5607 8.1749 8.1749 10.5080 10.5080 11.1063 11.1063 19.0311 19.0311 k = 0.5000 0.1595 0.3868 ( 2024 PWs) bands (ev): -16.4947 -16.4947 -16.4577 -16.4577 -14.4472 -14.4472 -4.3063 -4.3063 0.6654 0.6654 0.9813 0.9813 1.2259 1.2259 2.2752 2.2752 2.3137 2.3137 3.2736 3.2736 4.3890 4.3890 4.4025 4.4025 4.5520 4.5520 8.1544 8.1544 10.4866 10.4866 11.0963 11.0963 19.1050 19.1050 k = 0.5000 0.1671 0.3760 ( 2022 PWs) bands (ev): -16.4984 -16.4984 -16.4590 -16.4590 -14.4444 -14.4444 -4.2936 -4.2936 0.6927 0.6927 0.9984 0.9984 1.2426 1.2426 2.2330 2.2330 2.2730 2.2730 3.2984 3.2984 4.3952 4.3952 4.4079 4.4079 4.5443 4.5443 8.1336 8.1336 10.4650 10.4650 11.0872 11.0872 19.1803 19.1803 k = 0.5000 0.1747 0.3653 ( 2024 PWs) bands (ev): -16.5021 -16.5021 -16.4603 -16.4603 -14.4416 -14.4416 -4.2813 -4.2813 0.7211 0.7211 1.0173 1.0173 1.2589 1.2589 2.1894 2.1894 2.2313 2.2313 3.3218 3.3218 4.4016 4.4016 4.4140 4.4140 4.5375 4.5375 8.1127 8.1127 10.4435 10.4435 11.0790 11.0790 19.2568 19.2568 k = 0.5000 0.1823 0.3545 ( 2022 PWs) bands (ev): -16.5056 -16.5056 -16.4615 -16.4615 -14.4389 -14.4389 -4.2692 -4.2692 0.7506 0.7506 1.0382 1.0382 1.2747 1.2747 2.1444 2.1444 2.1885 2.1885 3.3438 3.3438 4.4080 4.4080 4.4208 4.4208 4.5318 4.5318 8.0919 8.0919 10.4222 10.4222 11.0715 11.0715 19.3340 19.3340 k = 0.5000 0.1899 0.3438 ( 2022 PWs) bands (ev): -16.5090 -16.5090 -16.4627 -16.4627 -14.4364 -14.4364 -4.2576 -4.2576 0.7811 0.7811 1.0611 1.0611 1.2901 1.2901 2.0983 2.0983 2.1447 2.1447 3.3642 3.3642 4.4143 4.4143 4.4280 4.4280 4.5269 4.5269 8.0713 8.0713 10.4013 10.4013 11.0647 11.0647 19.4116 19.4116 k = 0.5000 0.1975 0.3330 ( 2022 PWs) bands (ev): -16.5122 -16.5122 -16.4639 -16.4639 -14.4339 -14.4339 -4.2464 -4.2464 0.8125 0.8125 1.0860 1.0860 1.3049 1.3049 2.0514 2.0514 2.1001 2.1001 3.3829 3.3829 4.4204 4.4204 4.4357 4.4357 4.5229 4.5229 8.0512 8.0512 10.3811 10.3811 11.0586 11.0586 19.4889 19.4889 k = 0.5000 0.2051 0.3223 ( 2022 PWs) bands (ev): -16.5153 -16.5153 -16.4650 -16.4650 -14.4316 -14.4316 -4.2358 -4.2358 0.8446 0.8446 1.1129 1.1129 1.3191 1.3191 2.0039 2.0039 2.0548 2.0548 3.4000 3.4000 4.4264 4.4264 4.4436 4.4436 4.5198 4.5198 8.0317 8.0317 10.3617 10.3617 11.0532 11.0532 19.5655 19.5655 k = 0.5000 0.2127 0.3116 ( 2020 PWs) bands (ev): -16.5182 -16.5182 -16.4660 -16.4660 -14.4295 -14.4295 -4.2259 -4.2259 0.8772 0.8772 1.1418 1.1418 1.3327 1.3327 1.9562 1.9562 2.0088 2.0088 3.4155 3.4155 4.4322 4.4322 4.4516 4.4516 4.5175 4.5175 8.0130 8.0130 10.3434 10.3434 11.0483 11.0483 19.6404 19.6404 k = 0.5000 0.2203 0.3008 ( 2018 PWs) bands (ev): -16.5208 -16.5208 -16.4669 -16.4669 -14.4275 -14.4275 -4.2167 -4.2167 0.9102 0.9102 1.1726 1.1726 1.3458 1.3458 1.9086 1.9086 1.9623 1.9623 3.4292 3.4292 4.4377 4.4377 4.4594 4.4594 4.5159 4.5159 7.9954 7.9954 10.3263 10.3263 11.0440 11.0440 19.7130 19.7130 k = 0.5000 0.2279 0.2901 ( 2018 PWs) bands (ev): -16.5232 -16.5232 -16.4678 -16.4678 -14.4257 -14.4257 -4.2082 -4.2082 0.9430 0.9430 1.2052 1.2052 1.3583 1.3583 1.8613 1.8613 1.9154 1.9154 3.4413 3.4413 4.4428 4.4428 4.4668 4.4668 4.5151 4.5151 7.9790 7.9790 10.3106 10.3106 11.0402 11.0402 19.7819 19.7819 k = 0.5000 0.2355 0.2793 ( 2022 PWs) bands (ev): -16.5254 -16.5254 -16.4685 -16.4685 -14.4240 -14.4240 -4.2007 -4.2007 0.9754 0.9754 1.2396 1.2396 1.3705 1.3705 1.8149 1.8149 1.8684 1.8684 3.4518 3.4518 4.4474 4.4474 4.4736 4.4736 4.5149 4.5149 7.9640 7.9640 10.2964 10.2964 11.0370 11.0370 19.8455 19.8455 k = 0.5000 0.2431 0.2686 ( 2026 PWs) bands (ev): -16.5273 -16.5273 -16.4692 -16.4692 -14.4226 -14.4226 -4.1940 -4.1940 1.0068 1.0068 1.2755 1.2755 1.3824 1.3824 1.7697 1.7697 1.8213 1.8213 3.4607 3.4607 4.4514 4.4514 4.4797 4.4797 4.5153 4.5153 7.9506 7.9506 10.2839 10.2839 11.0341 11.0341 19.9008 19.9008 k = 0.5000 0.2507 0.2578 ( 2028 PWs) bands (ev): -16.5290 -16.5290 -16.4698 -16.4698 -14.4214 -14.4214 -4.1883 -4.1883 1.0364 1.0364 1.3127 1.3127 1.3944 1.3944 1.7265 1.7265 1.7746 1.7746 3.4682 3.4682 4.4547 4.4547 4.4850 4.4850 4.5162 4.5162 7.9390 7.9390 10.2731 10.2731 11.0318 11.0318 19.9339 19.9339 k = 0.5000 0.2583 0.2471 ( 2024 PWs) bands (ev): -16.5303 -16.5303 -16.4703 -16.4703 -14.4204 -14.4204 -4.1835 -4.1835 1.0633 1.0633 1.3508 1.3508 1.4068 1.4068 1.6861 1.6861 1.7284 1.7284 3.4742 3.4742 4.4574 4.4574 4.4893 4.4893 4.5174 4.5174 7.9293 7.9293 10.2641 10.2641 11.0299 11.0299 19.9294 19.9294 k = 0.5000 0.2659 0.2364 ( 2026 PWs) bands (ev): -16.5314 -16.5314 -16.4707 -16.4707 -14.4196 -14.4196 -4.1798 -4.1798 1.0863 1.0863 1.3886 1.3886 1.4200 1.4200 1.6497 1.6497 1.6834 1.6834 3.4788 3.4788 4.4595 4.4595 4.4926 4.4926 4.5187 4.5187 7.9216 7.9216 10.2570 10.2570 11.0284 11.0284 19.9170 19.9170 k = 0.5000 0.2735 0.2256 ( 2030 PWs) bands (ev): -16.5321 -16.5321 -16.4709 -16.4709 -14.4190 -14.4190 -4.1771 -4.1771 1.1040 1.1040 1.4205 1.4205 1.4379 1.4379 1.6193 1.6193 1.6409 1.6409 3.4821 3.4821 4.4609 4.4609 4.4949 4.4949 4.5199 4.5199 7.9160 7.9160 10.2520 10.2520 11.0274 11.0274 19.9064 19.9064 k = 0.5000 0.2811 0.2149 ( 2036 PWs) bands (ev): -16.5326 -16.5326 -16.4711 -16.4711 -14.4187 -14.4187 -4.1755 -4.1755 1.1153 1.1153 1.4353 1.4353 1.4659 1.4659 1.5982 1.5982 1.6048 1.6048 3.4840 3.4840 4.4618 4.4618 4.4963 4.4963 4.5207 4.5207 7.9126 7.9126 10.2489 10.2489 11.0267 11.0267 19.8995 19.8995 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -16.5327 -16.5327 -16.4712 -16.4712 -14.4186 -14.4186 -4.1750 -4.1750 1.1192 1.1192 1.4397 1.4397 1.4812 1.4812 1.5879 1.5879 1.5904 1.5904 3.4847 3.4847 4.4620 4.4620 4.4968 4.4968 4.5209 4.5209 7.9115 7.9115 10.2479 10.2479 11.0265 11.0265 19.8972 19.8972 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -16.5327 -16.5327 -16.4712 -16.4712 -14.4186 -14.4186 -4.1750 -4.1750 1.1192 1.1192 1.4397 1.4397 1.4812 1.4812 1.5879 1.5879 1.5904 1.5904 3.4847 3.4847 4.4620 4.4620 4.4968 4.4968 4.5209 4.5209 7.9115 7.9115 10.2479 10.2479 11.0265 11.0265 19.8972 19.8972 k = 0.4962 0.2865 0.2165 ( 2036 PWs) bands (ev): -16.5326 -16.5326 -16.4711 -16.4711 -14.4187 -14.4187 -4.1755 -4.1755 1.1153 1.1153 1.4353 1.4353 1.4659 1.4659 1.5981 1.5981 1.6047 1.6047 3.4840 3.4840 4.4618 4.4618 4.4963 4.4963 4.5207 4.5207 7.9126 7.9126 10.2489 10.2489 11.0267 11.0267 19.8995 19.8995 k = 0.4924 0.2843 0.2289 ( 2031 PWs) bands (ev): -16.5321 -16.5321 -16.4709 -16.4709 -14.4190 -14.4190 -4.1771 -4.1771 1.1041 1.1041 1.4204 1.4204 1.4382 1.4382 1.6190 1.6190 1.6408 1.6408 3.4821 3.4821 4.4609 4.4609 4.4949 4.4949 4.5199 4.5199 7.9160 7.9160 10.2520 10.2520 11.0273 11.0273 19.9063 19.9063 k = 0.4886 0.2821 0.2412 ( 2025 PWs) bands (ev): -16.5314 -16.5314 -16.4707 -16.4707 -14.4196 -14.4196 -4.1798 -4.1798 1.0864 1.0864 1.3883 1.3883 1.4209 1.4209 1.6487 1.6487 1.6835 1.6835 3.4788 3.4788 4.4595 4.4595 4.4927 4.4927 4.5187 4.5187 7.9215 7.9215 10.2570 10.2570 11.0284 11.0284 19.9166 19.9166 k = 0.4848 0.2799 0.2536 ( 2027 PWs) bands (ev): -16.5303 -16.5303 -16.4703 -16.4703 -14.4204 -14.4204 -4.1835 -4.1835 1.0635 1.0635 1.3501 1.3501 1.4086 1.4086 1.6839 1.6839 1.7292 1.7292 3.4743 3.4743 4.4574 4.4574 4.4894 4.4894 4.5174 4.5174 7.9292 7.9292 10.2640 10.2640 11.0299 11.0299 19.9269 19.9269 k = 0.4811 0.2777 0.2660 ( 2027 PWs) bands (ev): -16.5290 -16.5290 -16.4698 -16.4698 -14.4214 -14.4214 -4.1882 -4.1882 1.0367 1.0367 1.3114 1.3114 1.3975 1.3975 1.7222 1.7222 1.7766 1.7766 3.4683 3.4683 4.4548 4.4548 4.4853 4.4853 4.5160 4.5160 7.9389 7.9389 10.2729 10.2729 11.0318 11.0318 19.9219 19.9219 k = 0.4773 0.2756 0.2784 ( 2024 PWs) bands (ev): -16.5273 -16.5273 -16.4692 -16.4692 -14.4226 -14.4226 -4.1939 -4.1939 1.0070 1.0070 1.2735 1.2735 1.3873 1.3873 1.7624 1.7624 1.8254 1.8254 3.4609 3.4609 4.4514 4.4514 4.4803 4.4803 4.5149 4.5149 7.9504 7.9504 10.2837 10.2837 11.0341 11.0341 19.8844 19.8844 k = 0.4735 0.2734 0.2907 ( 2022 PWs) bands (ev): -16.5254 -16.5254 -16.4686 -16.4686 -14.4240 -14.4240 -4.2005 -4.2005 0.9753 0.9753 1.2369 1.2369 1.3776 1.3776 1.8034 1.8034 1.8752 1.8752 3.4520 3.4520 4.4475 4.4475 4.4747 4.4747 4.5139 4.5139 7.9637 7.9637 10.2962 10.2962 11.0369 11.0369 19.8283 19.8283 k = 0.4697 0.2712 0.3031 ( 2028 PWs) bands (ev): -16.5233 -16.5233 -16.4678 -16.4678 -14.4256 -14.4256 -4.2081 -4.2081 0.9422 0.9422 1.2018 1.2018 1.3684 1.3684 1.8446 1.8446 1.9259 1.9259 3.4417 3.4417 4.4430 4.4430 4.4685 4.4685 4.5133 4.5133 7.9787 7.9787 10.3103 10.3103 11.0402 11.0402 19.7630 19.7630 k = 0.4659 0.2690 0.3155 ( 2028 PWs) bands (ev): -16.5209 -16.5209 -16.4669 -16.4669 -14.4274 -14.4274 -4.2165 -4.2165 0.9081 0.9081 1.1685 1.1685 1.3596 1.3596 1.8856 1.8856 1.9770 1.9770 3.4297 3.4297 4.4381 4.4381 4.4619 4.4619 4.5130 4.5130 7.9950 7.9950 10.3260 10.3260 11.0440 11.0440 19.6919 19.6919 k = 0.4621 0.2668 0.3278 ( 2020 PWs) bands (ev): -16.5183 -16.5183 -16.4660 -16.4660 -14.4294 -14.4294 -4.2256 -4.2256 0.8733 0.8733 1.1371 1.1371 1.3511 1.3511 1.9261 1.9261 2.0284 2.0284 3.4163 3.4163 4.4330 4.4330 4.4550 4.4550 4.5131 4.5131 8.0126 8.0126 10.3430 10.3430 11.0483 11.0483 19.6167 19.6167 k = 0.4583 0.2646 0.3402 ( 2018 PWs) bands (ev): -16.5155 -16.5155 -16.4649 -16.4649 -14.4315 -14.4315 -4.2354 -4.2354 0.8380 0.8380 1.1078 1.1078 1.3431 1.3431 1.9658 1.9658 2.0798 2.0798 3.4013 3.4013 4.4278 4.4278 4.4481 4.4481 4.5136 4.5136 8.0312 8.0312 10.3613 10.3613 11.0532 11.0532 19.5388 19.5388 k = 0.4545 0.2624 0.3526 ( 2020 PWs) bands (ev): -16.5125 -16.5125 -16.4638 -16.4638 -14.4338 -14.4338 -4.2458 -4.2458 0.8024 0.8024 1.0804 1.0804 1.3357 1.3357 2.0046 2.0046 2.1307 2.1307 3.3847 3.3847 4.4222 4.4222 4.4416 4.4416 4.5144 4.5144 8.0507 8.0507 10.3807 10.3807 11.0587 11.0587 19.4590 19.4590 k = 0.4508 0.2602 0.3649 ( 2021 PWs) bands (ev): -16.5093 -16.5093 -16.4626 -16.4626 -14.4363 -14.4363 -4.2568 -4.2568 0.7664 0.7664 1.0549 1.0549 1.3292 1.3292 2.0423 2.0423 2.1809 2.1809 3.3668 3.3668 4.4160 4.4160 4.4361 4.4361 4.5155 4.5155 8.0708 8.0708 10.4009 10.4009 11.0650 11.0650 19.3782 19.3782 k = 0.4470 0.2581 0.3773 ( 2021 PWs) bands (ev): -16.5061 -16.5061 -16.4613 -16.4613 -14.4388 -14.4388 -4.2682 -4.2682 0.7304 0.7304 1.0310 1.0310 1.3238 1.3238 2.0790 2.0790 2.2301 2.2301 3.3476 3.3476 4.4084 4.4084 4.4324 4.4324 4.5170 4.5170 8.0914 8.0914 10.4219 10.4219 11.0720 11.0720 19.2969 19.2969 k = 0.4432 0.2559 0.3897 ( 2017 PWs) bands (ev): -16.5028 -16.5028 -16.4598 -16.4598 -14.4415 -14.4415 -4.2799 -4.2799 0.6944 0.6944 1.0084 1.0084 1.3199 1.3199 2.1145 2.1145 2.2779 2.2779 3.3271 3.3271 4.3994 4.3994 4.4308 4.4308 4.5189 4.5189 8.1123 8.1123 10.4434 10.4434 11.0798 11.0798 19.2158 19.2158 k = 0.4394 0.2537 0.4021 ( 2015 PWs) bands (ev): -16.4995 -16.4995 -16.4582 -16.4582 -14.4442 -14.4442 -4.2919 -4.2919 0.6586 0.6586 0.9869 0.9869 1.3177 1.3177 2.1488 2.1488 2.3241 2.3241 3.3057 3.3057 4.3892 4.3892 4.4312 4.4312 4.5211 4.5211 8.1332 8.1332 10.4652 10.4652 11.0886 11.0886 19.1352 19.1352 k = 0.4356 0.2515 0.4144 ( 2017 PWs) bands (ev): -16.4962 -16.4962 -16.4565 -16.4565 -14.4470 -14.4470 -4.3041 -4.3041 0.6230 0.6230 0.9661 0.9661 1.3175 1.3175 2.1818 2.1818 2.3685 2.3685 3.2835 3.2835 4.3780 4.3780 4.4335 4.4335 4.5235 4.5235 8.1541 8.1541 10.4870 10.4870 11.0984 11.0984 19.0557 19.0557 k = 0.4318 0.2493 0.4268 ( 2021 PWs) bands (ev): -16.4931 -16.4931 -16.4545 -16.4545 -14.4499 -14.4499 -4.3163 -4.3163 0.5878 0.5878 0.9455 0.9455 1.3198 1.3198 2.2134 2.2134 2.4109 2.4109 3.2608 3.2608 4.3659 4.3659 4.4375 4.4375 4.5263 4.5263 8.1747 8.1747 10.5087 10.5087 11.1093 11.1093 18.9775 18.9775 k = 0.4280 0.2471 0.4392 ( 2021 PWs) bands (ev): -16.4902 -16.4902 -16.4523 -16.4523 -14.4528 -14.4528 -4.3284 -4.3284 0.5531 0.5531 0.9250 0.9250 1.3246 1.3246 2.2438 2.2438 2.4510 2.4510 3.2377 3.2377 4.3531 4.3531 4.4431 4.4431 4.5294 4.5294 8.1948 8.1948 10.5301 10.5301 11.1215 11.1215 18.9010 18.9010 k = 0.4242 0.2449 0.4515 ( 2031 PWs) bands (ev): -16.4876 -16.4876 -16.4498 -16.4498 -14.4557 -14.4557 -4.3404 -4.3404 0.5190 0.5190 0.9042 0.9042 1.3322 1.3322 2.2727 2.2727 2.4887 2.4887 3.2147 3.2147 4.3394 4.3394 4.4502 4.4502 4.5328 4.5328 8.2144 8.2144 10.5508 10.5508 11.1349 11.1349 18.8265 18.8265 k = 0.4205 0.2427 0.4639 ( 2027 PWs) bands (ev): -16.4854 -16.4854 -16.4470 -16.4470 -14.4585 -14.4585 -4.3520 -4.3520 0.4858 0.4858 0.8829 0.8829 1.3427 1.3427 2.3003 2.3003 2.5238 2.5238 3.1920 3.1920 4.3250 4.3250 4.4586 4.4586 4.5365 4.5365 8.2332 8.2332 10.5708 10.5708 11.1497 11.1497 18.7543 18.7543 k = 0.4167 0.2406 0.4763 ( 2025 PWs) bands (ev): -16.4837 -16.4837 -16.4437 -16.4437 -14.4614 -14.4614 -4.3632 -4.3632 0.4533 0.4533 0.8610 0.8610 1.3561 1.3561 2.3264 2.3264 2.5563 2.5563 3.1698 3.1698 4.3099 4.3099 4.4682 4.4682 4.5404 4.5404 8.2511 8.2511 10.5899 10.5899 11.1659 11.1659 18.6846 18.6846 k = 0.4129 0.2384 0.4887 ( 2029 PWs) bands (ev): -16.4824 -16.4824 -16.4401 -16.4401 -14.4641 -14.4641 -4.3740 -4.3740 0.4218 0.4218 0.8384 0.8384 1.3724 1.3724 2.3510 2.3510 2.5861 2.5861 3.1486 3.1486 4.2940 4.2940 4.4789 4.4789 4.5445 4.5445 8.2680 8.2680 10.6078 10.6078 11.1835 11.1835 18.6177 18.6177 k = 0.4091 0.2362 0.5010 ( 2029 PWs) bands (ev): -16.4817 -16.4817 -16.4361 -16.4361 -14.4668 -14.4668 -4.3841 -4.3841 0.3913 0.3913 0.8151 0.8151 1.3914 1.3914 2.3742 2.3742 2.6132 2.6132 3.1285 3.1285 4.2774 4.2774 4.4903 4.4903 4.5489 4.5489 8.2837 8.2837 10.6244 10.6244 11.2025 11.2025 18.5538 18.5538 k = 0.4053 0.2340 0.5134 ( 2028 PWs) bands (ev): -16.4815 -16.4815 -16.4318 -16.4318 -14.4694 -14.4694 -4.3934 -4.3934 0.3619 0.3619 0.7911 0.7911 1.4129 1.4129 2.3960 2.3960 2.6375 2.6375 3.1099 3.1099 4.2600 4.2600 4.5023 4.5023 4.5535 4.5535 8.2982 8.2982 10.6398 10.6398 11.2229 11.2229 18.4931 18.4931 k = 0.4015 0.2318 0.5258 ( 2030 PWs) bands (ev): -16.4818 -16.4818 -16.4272 -16.4272 -14.4718 -14.4718 -4.4019 -4.4019 0.3336 0.3336 0.7666 0.7666 1.4368 1.4368 2.4163 2.4163 2.6590 2.6590 3.0930 3.0930 4.2420 4.2420 4.5146 4.5146 4.5582 4.5582 8.3113 8.3113 10.6537 10.6537 11.2445 11.2445 18.4357 18.4357 k = 0.3977 0.2296 0.5381 ( 2036 PWs) bands (ev): -16.4826 -16.4826 -16.4223 -16.4223 -14.4741 -14.4741 -4.4095 -4.4095 0.3065 0.3065 0.7415 0.7415 1.4628 1.4628 2.4351 2.4351 2.6778 2.6778 3.0782 3.0782 4.2232 4.2232 4.5271 4.5271 4.5631 4.5631 8.3228 8.3228 10.6662 10.6662 11.2673 11.2673 18.3820 18.3820 k = 0.3939 0.2274 0.5505 ( 2038 PWs) bands (ev): -16.4840 -16.4840 -16.4173 -16.4173 -14.4763 -14.4763 -4.4161 -4.4161 0.2807 0.2807 0.7161 0.7161 1.4905 1.4905 2.4526 2.4526 2.6939 2.6939 3.0656 3.0656 4.2037 4.2037 4.5394 4.5394 4.5682 4.5682 8.3328 8.3328 10.6772 10.6772 11.2911 11.2911 18.3320 18.3320 k = 0.3902 0.2253 0.5629 ( 2042 PWs) bands (ev): -16.4858 -16.4858 -16.4121 -16.4121 -14.4782 -14.4782 -4.4216 -4.4216 0.2562 0.2562 0.6904 0.6904 1.5196 1.5196 2.4686 2.4686 2.7074 2.7074 3.0554 3.0554 4.1836 4.1836 4.5514 4.5514 4.5734 4.5734 8.3411 8.3411 10.6869 10.6869 11.3157 11.3157 18.2860 18.2860 k = 0.3864 0.2231 0.5753 ( 2042 PWs) bands (ev): -16.4881 -16.4881 -16.4068 -16.4068 -14.4799 -14.4799 -4.4259 -4.4259 0.2331 0.2331 0.6647 0.6647 1.5499 1.5499 2.4832 2.4832 2.7183 2.7183 3.0480 3.0480 4.1628 4.1628 4.5627 4.5627 4.5789 4.5789 8.3475 8.3475 10.6951 10.6951 11.3410 11.3410 18.2439 18.2439 k = 0.3826 0.2209 0.5876 ( 2042 PWs) bands (ev): -16.4910 -16.4910 -16.4014 -16.4014 -14.4813 -14.4813 -4.4288 -4.4288 0.2113 0.2113 0.6390 0.6390 1.5810 1.5810 2.4965 2.4965 2.7269 2.7269 3.0434 3.0434 4.1415 4.1415 4.5729 4.5729 4.5850 4.5850 8.3520 8.3520 10.7019 10.7019 11.3668 11.3668 18.2060 18.2060 k = 0.3788 0.2187 0.6000 ( 2042 PWs) bands (ev): -16.4943 -16.4943 -16.3959 -16.3959 -14.4825 -14.4825 -4.4305 -4.4305 0.1910 0.1910 0.6135 0.6135 1.6125 1.6125 2.5085 2.5085 2.7330 2.7330 3.0417 3.0417 4.1197 4.1197 4.5812 4.5812 4.5921 4.5921 8.3545 8.3545 10.7074 10.7074 11.3929 11.3929 18.1723 18.1723 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -16.4982 -16.4982 -16.3904 -16.3904 -14.4834 -14.4834 -4.4307 -4.4307 0.1722 0.1722 0.5884 0.5884 1.6441 1.6441 2.5192 2.5192 2.7369 2.7369 3.0430 3.0430 4.0977 4.0977 4.5877 4.5877 4.6000 4.6000 8.3549 8.3549 10.7117 10.7117 11.4191 11.4191 18.1428 18.1428 k = 0.6184-0.0836 0.4082 ( 2039 PWs) bands (ev): -16.5052 -16.5052 -16.3810 -16.3810 -14.4847 -14.4847 -4.4293 -4.4293 0.1412 0.1412 0.5448 0.5448 1.6999 1.6999 2.5362 2.5362 2.7417 2.7417 3.0493 3.0493 4.0581 4.0581 4.5966 4.5966 4.6141 4.6141 8.3530 8.3530 10.7185 10.7185 11.4648 11.4648 18.0963 18.0963 k = 0.6118-0.0950 0.4082 ( 2047 PWs) bands (ev): -16.5120 -16.5120 -16.3721 -16.3721 -14.4858 -14.4858 -4.4267 -4.4267 0.1110 0.1110 0.5007 0.5007 1.7573 1.7573 2.5526 2.5526 2.7459 2.7459 3.0584 3.0584 4.0163 4.0163 4.6042 4.6042 4.6270 4.6270 8.3500 8.3500 10.7265 10.7265 11.5107 11.5107 18.0516 18.0516 k = 0.6053-0.1064 0.4082 ( 2047 PWs) bands (ev): -16.5185 -16.5185 -16.3638 -16.3638 -14.4868 -14.4868 -4.4231 -4.4231 0.0817 0.0817 0.4565 0.4565 1.8163 1.8163 2.5683 2.5683 2.7497 2.7497 3.0701 3.0701 3.9724 3.9724 4.6110 4.6110 4.6384 4.6384 8.3461 8.3461 10.7355 10.7355 11.5564 11.5564 18.0087 18.0087 k = 0.5987-0.1177 0.4082 ( 2043 PWs) bands (ev): -16.5247 -16.5247 -16.3560 -16.3560 -14.4876 -14.4876 -4.4187 -4.4187 0.0534 0.0534 0.4129 0.4129 1.8767 1.8767 2.5832 2.5832 2.7532 2.7532 3.0839 3.0839 3.9264 3.9264 4.6172 4.6172 4.6480 4.6480 8.3414 8.3414 10.7455 10.7455 11.6016 11.6016 17.9678 17.9678 k = 0.5921-0.1291 0.4082 ( 2042 PWs) bands (ev): -16.5306 -16.5306 -16.3487 -16.3487 -14.4883 -14.4883 -4.4135 -4.4135 0.0259 0.0259 0.3702 0.3702 1.9383 1.9383 2.5974 2.5974 2.7562 2.7562 3.0994 3.0994 3.8784 3.8784 4.6229 4.6229 4.6560 4.6560 8.3361 8.3361 10.7563 10.7563 11.6460 11.6460 17.9291 17.9291 k = 0.5855-0.1405 0.4082 ( 2034 PWs) bands (ev): -16.5361 -16.5361 -16.3420 -16.3420 -14.4888 -14.4888 -4.4077 -4.4077 -0.0007 -0.0007 0.3291 0.3291 2.0011 2.0011 2.6107 2.6107 2.7590 2.7590 3.1163 3.1163 3.8286 3.8286 4.6279 4.6279 4.6625 4.6625 8.3305 8.3305 10.7677 10.7677 11.6893 11.6893 17.8926 17.8926 k = 0.5789-0.1519 0.4082 ( 2042 PWs) bands (ev): -16.5413 -16.5413 -16.3358 -16.3358 -14.4893 -14.4893 -4.4015 -4.4015 -0.0263 -0.0263 0.2900 0.2900 2.0648 2.0648 2.6232 2.6232 2.7613 2.7613 3.1340 3.1340 3.7770 3.7770 4.6325 4.6325 4.6674 4.6674 8.3245 8.3245 10.7794 10.7794 11.7312 11.7312 17.8583 17.8583 k = 0.5724-0.1633 0.4082 ( 2048 PWs) bands (ev): -16.5462 -16.5462 -16.3301 -16.3301 -14.4897 -14.4897 -4.3950 -4.3950 -0.0509 -0.0509 0.2532 0.2532 2.1291 2.1291 2.6347 2.6347 2.7634 2.7634 3.1521 3.1521 3.7238 3.7238 4.6365 4.6365 4.6710 4.6710 8.3185 8.3185 10.7913 10.7913 11.7713 11.7713 17.8264 17.8264 k = 0.5658-0.1747 0.4082 ( 2036 PWs) bands (ev): -16.5506 -16.5506 -16.3249 -16.3249 -14.4900 -14.4900 -4.3883 -4.3883 -0.0744 -0.0744 0.2191 0.2191 2.1939 2.1939 2.6455 2.6455 2.7653 2.7653 3.1704 3.1704 3.6693 3.6693 4.6400 4.6400 4.6734 4.6734 8.3126 8.3126 10.8031 10.8031 11.8093 11.8093 17.7969 17.7969 k = 0.5592-0.1861 0.4082 ( 2036 PWs) bands (ev): -16.5547 -16.5547 -16.3202 -16.3202 -14.4903 -14.4903 -4.3818 -4.3818 -0.0968 -0.0968 0.1880 0.1880 2.2587 2.2587 2.6553 2.6553 2.7669 2.7669 3.1884 3.1884 3.6138 3.6138 4.6430 4.6430 4.6749 4.6749 8.3068 8.3068 10.8146 10.8146 11.8449 11.8449 17.7698 17.7698 k = 0.5526-0.1975 0.4082 ( 2036 PWs) bands (ev): -16.5584 -16.5584 -16.3160 -16.3160 -14.4905 -14.4905 -4.3754 -4.3754 -0.1177 -0.1177 0.1602 0.1602 2.3232 2.3232 2.6642 2.6642 2.7682 2.7682 3.2058 3.2058 3.5576 3.5576 4.6454 4.6454 4.6757 4.6757 8.3014 8.3014 10.8255 10.8255 11.8779 11.8779 17.7451 17.7451 k = 0.5461-0.2089 0.4082 ( 2046 PWs) bands (ev): -16.5617 -16.5617 -16.3124 -16.3124 -14.4907 -14.4907 -4.3694 -4.3694 -0.1371 -0.1371 0.1356 0.1356 2.3869 2.3869 2.6723 2.6723 2.7694 2.7694 3.2220 3.2220 3.5011 3.5011 4.6472 4.6472 4.6760 4.6760 8.2963 8.2963 10.8358 10.8358 11.9078 11.9078 17.7228 17.7228 k = 0.5395-0.2203 0.4082 ( 2042 PWs) bands (ev): -16.5645 -16.5645 -16.3092 -16.3092 -14.4908 -14.4908 -4.3639 -4.3639 -0.1547 -0.1547 0.1145 0.1145 2.4489 2.4489 2.6795 2.6795 2.7703 2.7703 3.2368 3.2368 3.4451 3.4451 4.6486 4.6486 4.6760 4.6760 8.2918 8.2918 10.8451 10.8451 11.9345 11.9345 17.7030 17.7030 k = 0.5329-0.2317 0.4082 ( 2044 PWs) bands (ev): -16.5670 -16.5670 -16.3065 -16.3065 -14.4909 -14.4909 -4.3590 -4.3590 -0.1701 -0.1701 0.0967 0.0967 2.5083 2.5083 2.6860 2.6860 2.7711 2.7711 3.2499 3.2499 3.3906 3.3906 4.6494 4.6494 4.6758 4.6758 8.2878 8.2878 10.8533 10.8533 11.9576 11.9576 17.6857 17.6857 k = 0.5263-0.2431 0.4082 ( 2044 PWs) bands (ev): -16.5690 -16.5690 -16.3044 -16.3044 -14.4909 -14.4909 -4.3548 -4.3548 -0.1832 -0.1832 0.0823 0.0823 2.5633 2.5633 2.6921 2.6921 2.7717 2.7717 3.2609 3.2609 3.3391 3.3391 4.6498 4.6498 4.6757 4.6757 8.2845 8.2845 10.8602 10.8602 11.9768 11.9768 17.6710 17.6710 k = 0.5197-0.2545 0.4082 ( 2044 PWs) bands (ev): -16.5705 -16.5705 -16.3027 -16.3027 -14.4910 -14.4910 -4.3514 -4.3514 -0.1937 -0.1937 0.0711 0.0711 2.6110 2.6110 2.6985 2.6985 2.7721 2.7721 3.2682 3.2682 3.2939 3.2939 4.6499 4.6499 4.6756 4.6756 8.2818 8.2818 10.8657 10.8657 11.9921 11.9921 17.6592 17.6592 k = 0.5132-0.2659 0.4082 ( 2044 PWs) bands (ev): -16.5716 -16.5716 -16.3015 -16.3015 -14.4910 -14.4910 -4.3490 -4.3490 -0.2013 -0.2013 0.0632 0.0632 2.6467 2.6467 2.7067 2.7067 2.7724 2.7724 3.2507 3.2507 3.2794 3.2794 4.6499 4.6499 4.6755 4.6755 8.2799 8.2799 10.8697 10.8697 12.0031 12.0031 17.6504 17.6504 k = 0.5066-0.2773 0.4082 ( 2044 PWs) bands (ev): -16.5723 -16.5723 -16.3007 -16.3007 -14.4910 -14.4910 -4.3475 -4.3475 -0.2060 -0.2060 0.0585 0.0585 2.6661 2.6661 2.7166 2.7166 2.7725 2.7725 3.2256 3.2256 3.2822 3.2822 4.6498 4.6498 4.6755 4.6755 8.2788 8.2788 10.8721 10.8721 12.0097 12.0097 17.6450 17.6450 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -16.5725 -16.5725 -16.3005 -16.3005 -14.4910 -14.4910 -4.3470 -4.3470 -0.2075 -0.2075 0.0569 0.0569 2.6715 2.6715 2.7217 2.7217 2.7725 2.7725 3.2164 3.2164 3.2834 3.2834 4.6497 4.6497 4.6755 4.6755 8.2784 8.2784 10.8730 10.8730 12.0120 12.0120 17.6431 17.6431 Writing output data file BiF3.save init_run : 0.16s CPU 0.44s WALL ( 1 calls) electrons : 124.90s CPU 126.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 124.89s CPU 126.61s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 356 calls) cegterg : 117.28s CPU 118.63s WALL ( 577 calls) Called by sum_band: Called by *egterg: h_psi : 79.32s CPU 83.33s WALL ( 10242 calls) s_psi : 1.09s CPU 1.37s WALL ( 10242 calls) g_psi : 0.08s CPU 0.12s WALL ( 9309 calls) cdiaghg : 33.55s CPU 32.17s WALL ( 9665 calls) cegterg:over : 3.46s CPU 3.43s WALL ( 9309 calls) cegterg:upda : 0.67s CPU 1.32s WALL ( 9309 calls) cegterg:last : 0.49s CPU 0.89s WALL ( 1290 calls) Called by h_psi: h_psi:vloc : 77.39s CPU 79.86s WALL ( 10242 calls) h_psi:vnl : 1.92s CPU 3.39s WALL ( 10242 calls) add_vuspsi : 0.68s CPU 1.21s WALL ( 10242 calls) General routines calbec : 1.22s CPU 2.16s WALL ( 10242 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.82s CPU 77.16s WALL ( 589840 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.11s CPU 0.12s WALL ( 712 calls) Parallel routines fft_scatter : 72.03s CPU 56.05s WALL ( 589863 calls) PWSCF : 2m20.27s CPU 2m25.57s WALL This run was terminated on: 14:28:54 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=