Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiCoSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 10 929 929 138 Max 39 39 11 933 933 144 Sum 1369 1369 385 33487 33487 5065 bravais-lattice index = 14 lattice parameter (alat) = 7.8921 a.u. unit-cell volume = 347.5867 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.892103 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 Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Co 17.00 58.93320 Co( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ti 12.00 47.86700 Ti( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0000000 0.1018518), wk = 0.0028090 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 -0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 -0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981481), 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 0.3684210 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684210), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), 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 0.0065789 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340425 0.2340426), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446808 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484848 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684210 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315789 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: 33487 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 240, 42) NL pseudopotentials 0.19 Mb ( 120, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 930) G-vector shells 0.00 Mb ( 278) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 240, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./TiCoSb.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 14 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 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.9 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.1 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 23.0 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.8 secs Computing kpt #: 40 total cpu time spent up to now is 25.4 secs Computing kpt #: 41 total cpu time spent up to now is 26.0 secs Computing kpt #: 42 total cpu time spent up to now is 26.6 secs Computing kpt #: 43 total cpu time spent up to now is 27.1 secs Computing kpt #: 44 total cpu time spent up to now is 27.7 secs Computing kpt #: 45 total cpu time spent up to now is 28.4 secs Computing kpt #: 46 total cpu time spent up to now is 29.0 secs Computing kpt #: 47 total cpu time spent up to now is 29.6 secs Computing kpt #: 48 total cpu time spent up to now is 30.2 secs Computing kpt #: 49 total cpu time spent up to now is 30.8 secs Computing kpt #: 50 total cpu time spent up to now is 31.4 secs Computing kpt #: 51 total cpu time spent up to now is 32.0 secs Computing kpt #: 52 total cpu time spent up to now is 32.7 secs Computing kpt #: 53 total cpu time spent up to now is 33.3 secs Computing kpt #: 54 total cpu time spent up to now is 33.8 secs Computing kpt #: 55 total cpu time spent up to now is 34.4 secs Computing kpt #: 56 total cpu time spent up to now is 35.0 secs Computing kpt #: 57 total cpu time spent up to now is 35.5 secs Computing kpt #: 58 total cpu time spent up to now is 36.1 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.4 secs Computing kpt #: 61 total cpu time spent up to now is 37.9 secs Computing kpt #: 62 total cpu time spent up to now is 38.5 secs Computing kpt #: 63 total cpu time spent up to now is 39.1 secs Computing kpt #: 64 total cpu time spent up to now is 39.7 secs Computing kpt #: 65 total cpu time spent up to now is 40.3 secs Computing kpt #: 66 total cpu time spent up to now is 40.8 secs Computing kpt #: 67 total cpu time spent up to now is 41.3 secs Computing kpt #: 68 total cpu time spent up to now is 41.9 secs Computing kpt #: 69 total cpu time spent up to now is 42.4 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.5 secs Computing kpt #: 72 total cpu time spent up to now is 44.0 secs Computing kpt #: 73 total cpu time spent up to now is 44.5 secs Computing kpt #: 74 total cpu time spent up to now is 45.0 secs Computing kpt #: 75 total cpu time spent up to now is 45.6 secs Computing kpt #: 76 total cpu time spent up to now is 46.2 secs Computing kpt #: 77 total cpu time spent up to now is 46.8 secs Computing kpt #: 78 total cpu time spent up to now is 47.4 secs Computing kpt #: 79 total cpu time spent up to now is 48.0 secs Computing kpt #: 80 total cpu time spent up to now is 48.6 secs Computing kpt #: 81 total cpu time spent up to now is 49.2 secs Computing kpt #: 82 total cpu time spent up to now is 49.8 secs Computing kpt #: 83 total cpu time spent up to now is 50.4 secs Computing kpt #: 84 total cpu time spent up to now is 51.0 secs Computing kpt #: 85 total cpu time spent up to now is 51.5 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.7 secs Computing kpt #: 88 total cpu time spent up to now is 53.2 secs Computing kpt #: 89 total cpu time spent up to now is 53.8 secs Computing kpt #: 90 total cpu time spent up to now is 54.4 secs Computing kpt #: 91 total cpu time spent up to now is 55.0 secs Computing kpt #: 92 total cpu time spent up to now is 55.6 secs Computing kpt #: 93 total cpu time spent up to now is 56.3 secs Computing kpt #: 94 total cpu time spent up to now is 57.0 secs Computing kpt #: 95 total cpu time spent up to now is 57.8 secs Computing kpt #: 96 total cpu time spent up to now is 58.6 secs Computing kpt #: 97 total cpu time spent up to now is 59.2 secs Computing kpt #: 98 total cpu time spent up to now is 59.9 secs Computing kpt #: 99 total cpu time spent up to now is 60.6 secs Computing kpt #: 100 total cpu time spent up to now is 61.2 secs Computing kpt #: 101 total cpu time spent up to now is 61.8 secs Computing kpt #: 102 total cpu time spent up to now is 62.4 secs Computing kpt #: 103 total cpu time spent up to now is 63.1 secs Computing kpt #: 104 total cpu time spent up to now is 63.7 secs Computing kpt #: 105 total cpu time spent up to now is 64.3 secs Computing kpt #: 106 total cpu time spent up to now is 64.8 secs Computing kpt #: 107 total cpu time spent up to now is 65.4 secs Computing kpt #: 108 total cpu time spent up to now is 66.0 secs Computing kpt #: 109 total cpu time spent up to now is 66.6 secs Computing kpt #: 110 total cpu time spent up to now is 67.2 secs Computing kpt #: 111 total cpu time spent up to now is 67.9 secs Computing kpt #: 112 total cpu time spent up to now is 68.5 secs Computing kpt #: 113 total cpu time spent up to now is 69.1 secs Computing kpt #: 114 total cpu time spent up to now is 69.7 secs Computing kpt #: 115 total cpu time spent up to now is 70.3 secs Computing kpt #: 116 total cpu time spent up to now is 70.8 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 71.9 secs Computing kpt #: 119 total cpu time spent up to now is 72.6 secs Computing kpt #: 120 total cpu time spent up to now is 73.1 secs Computing kpt #: 121 total cpu time spent up to now is 73.7 secs Computing kpt #: 122 total cpu time spent up to now is 74.2 secs Computing kpt #: 123 total cpu time spent up to now is 74.7 secs Computing kpt #: 124 total cpu time spent up to now is 75.2 secs Computing kpt #: 125 total cpu time spent up to now is 75.7 secs Computing kpt #: 126 total cpu time spent up to now is 76.3 secs Computing kpt #: 127 total cpu time spent up to now is 76.8 secs Computing kpt #: 128 total cpu time spent up to now is 77.3 secs Computing kpt #: 129 total cpu time spent up to now is 77.7 secs Computing kpt #: 130 total cpu time spent up to now is 78.3 secs Computing kpt #: 131 total cpu time spent up to now is 78.8 secs Computing kpt #: 132 total cpu time spent up to now is 79.3 secs Computing kpt #: 133 total cpu time spent up to now is 79.7 secs Computing kpt #: 134 total cpu time spent up to now is 80.3 secs Computing kpt #: 135 total cpu time spent up to now is 80.7 secs Computing kpt #: 136 total cpu time spent up to now is 81.2 secs Computing kpt #: 137 total cpu time spent up to now is 81.7 secs Computing kpt #: 138 total cpu time spent up to now is 82.2 secs Computing kpt #: 139 total cpu time spent up to now is 82.7 secs Computing kpt #: 140 total cpu time spent up to now is 83.2 secs Computing kpt #: 141 total cpu time spent up to now is 83.7 secs Computing kpt #: 142 total cpu time spent up to now is 84.2 secs Computing kpt #: 143 total cpu time spent up to now is 84.7 secs Computing kpt #: 144 total cpu time spent up to now is 85.2 secs Computing kpt #: 145 total cpu time spent up to now is 85.8 secs Computing kpt #: 146 total cpu time spent up to now is 86.3 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.9 secs Computing kpt #: 150 total cpu time spent up to now is 88.5 secs Computing kpt #: 151 total cpu time spent up to now is 89.0 secs Computing kpt #: 152 total cpu time spent up to now is 89.5 secs Computing kpt #: 153 total cpu time spent up to now is 90.1 secs Computing kpt #: 154 total cpu time spent up to now is 90.7 secs Computing kpt #: 155 total cpu time spent up to now is 91.2 secs Computing kpt #: 156 total cpu time spent up to now is 91.7 secs Computing kpt #: 157 total cpu time spent up to now is 92.2 secs Computing kpt #: 158 total cpu time spent up to now is 92.7 secs Computing kpt #: 159 total cpu time spent up to now is 93.2 secs Computing kpt #: 160 total cpu time spent up to now is 93.9 secs Computing kpt #: 161 total cpu time spent up to now is 94.3 secs Computing kpt #: 162 total cpu time spent up to now is 94.8 secs Computing kpt #: 163 total cpu time spent up to now is 95.5 secs Computing kpt #: 164 total cpu time spent up to now is 96.1 secs Computing kpt #: 165 total cpu time spent up to now is 96.7 secs Computing kpt #: 166 total cpu time spent up to now is 97.1 secs Computing kpt #: 167 total cpu time spent up to now is 97.6 secs Computing kpt #: 168 total cpu time spent up to now is 98.1 secs Computing kpt #: 169 total cpu time spent up to now is 98.6 secs Computing kpt #: 170 total cpu time spent up to now is 99.2 secs Computing kpt #: 171 total cpu time spent up to now is 99.7 secs Computing kpt #: 172 total cpu time spent up to now is 100.3 secs Computing kpt #: 173 total cpu time spent up to now is 100.8 secs Computing kpt #: 174 total cpu time spent up to now is 101.3 secs Computing kpt #: 175 total cpu time spent up to now is 101.9 secs Computing kpt #: 176 total cpu time spent up to now is 102.4 secs Computing kpt #: 177 total cpu time spent up to now is 103.0 secs Computing kpt #: 178 total cpu time spent up to now is 103.5 secs Computing kpt #: 179 total cpu time spent up to now is 104.1 secs Computing kpt #: 180 total cpu time spent up to now is 104.6 secs Computing kpt #: 181 total cpu time spent up to now is 105.2 secs Computing kpt #: 182 total cpu time spent up to now is 105.8 secs Computing kpt #: 183 total cpu time spent up to now is 106.4 secs Computing kpt #: 184 total cpu time spent up to now is 107.0 secs Computing kpt #: 185 total cpu time spent up to now is 107.5 secs Computing kpt #: 186 total cpu time spent up to now is 108.1 secs Computing kpt #: 187 total cpu time spent up to now is 108.7 secs Computing kpt #: 188 total cpu time spent up to now is 109.2 secs Computing kpt #: 189 total cpu time spent up to now is 109.7 secs Computing kpt #: 190 total cpu time spent up to now is 110.3 secs Computing kpt #: 191 total cpu time spent up to now is 110.9 secs Computing kpt #: 192 total cpu time spent up to now is 111.6 secs Computing kpt #: 193 total cpu time spent up to now is 112.3 secs Computing kpt #: 194 total cpu time spent up to now is 112.9 secs Computing kpt #: 195 total cpu time spent up to now is 113.6 secs Computing kpt #: 196 total cpu time spent up to now is 114.2 secs Computing kpt #: 197 total cpu time spent up to now is 114.7 secs Computing kpt #: 198 total cpu time spent up to now is 115.3 secs Computing kpt #: 199 total cpu time spent up to now is 115.8 secs Computing kpt #: 200 total cpu time spent up to now is 116.3 secs Computing kpt #: 201 total cpu time spent up to now is 116.8 secs Computing kpt #: 202 total cpu time spent up to now is 117.3 secs Computing kpt #: 203 total cpu time spent up to now is 117.8 secs Computing kpt #: 204 total cpu time spent up to now is 118.3 secs Computing kpt #: 205 total cpu time spent up to now is 118.8 secs Computing kpt #: 206 total cpu time spent up to now is 119.2 secs Computing kpt #: 207 total cpu time spent up to now is 119.7 secs Computing kpt #: 208 total cpu time spent up to now is 120.3 secs Computing kpt #: 209 total cpu time spent up to now is 120.8 secs Computing kpt #: 210 total cpu time spent up to now is 121.3 secs Computing kpt #: 211 total cpu time spent up to now is 121.8 secs Computing kpt #: 212 total cpu time spent up to now is 122.3 secs Computing kpt #: 213 total cpu time spent up to now is 122.8 secs Computing kpt #: 214 total cpu time spent up to now is 123.3 secs Computing kpt #: 215 total cpu time spent up to now is 123.9 secs Computing kpt #: 216 total cpu time spent up to now is 124.4 secs Computing kpt #: 217 total cpu time spent up to now is 124.9 secs Computing kpt #: 218 total cpu time spent up to now is 125.4 secs Computing kpt #: 219 total cpu time spent up to now is 125.9 secs Computing kpt #: 220 total cpu time spent up to now is 126.5 secs Computing kpt #: 221 total cpu time spent up to now is 127.0 secs Computing kpt #: 222 total cpu time spent up to now is 127.5 secs Computing kpt #: 223 total cpu time spent up to now is 128.0 secs Computing kpt #: 224 total cpu time spent up to now is 128.6 secs Computing kpt #: 225 total cpu time spent up to now is 129.1 secs Computing kpt #: 226 total cpu time spent up to now is 129.7 secs Computing kpt #: 227 total cpu time spent up to now is 130.3 secs Computing kpt #: 228 total cpu time spent up to now is 130.9 secs Computing kpt #: 229 total cpu time spent up to now is 131.5 secs Computing kpt #: 230 total cpu time spent up to now is 132.0 secs Computing kpt #: 231 total cpu time spent up to now is 132.6 secs Computing kpt #: 232 total cpu time spent up to now is 133.2 secs Computing kpt #: 233 total cpu time spent up to now is 133.8 secs Computing kpt #: 234 total cpu time spent up to now is 134.4 secs Computing kpt #: 235 total cpu time spent up to now is 135.0 secs Computing kpt #: 236 total cpu time spent up to now is 135.6 secs Computing kpt #: 237 total cpu time spent up to now is 136.2 secs Computing kpt #: 238 total cpu time spent up to now is 136.8 secs Computing kpt #: 239 total cpu time spent up to now is 137.4 secs Computing kpt #: 240 total cpu time spent up to now is 138.0 secs Computing kpt #: 241 total cpu time spent up to now is 138.6 secs Computing kpt #: 242 total cpu time spent up to now is 139.2 secs Computing kpt #: 243 total cpu time spent up to now is 139.9 secs Computing kpt #: 244 total cpu time spent up to now is 140.5 secs Computing kpt #: 245 total cpu time spent up to now is 141.1 secs Computing kpt #: 246 total cpu time spent up to now is 141.8 secs Computing kpt #: 247 total cpu time spent up to now is 142.4 secs Computing kpt #: 248 total cpu time spent up to now is 143.1 secs Computing kpt #: 249 total cpu time spent up to now is 143.7 secs Computing kpt #: 250 total cpu time spent up to now is 144.4 secs Computing kpt #: 251 total cpu time spent up to now is 145.0 secs Computing kpt #: 252 total cpu time spent up to now is 145.6 secs Computing kpt #: 253 total cpu time spent up to now is 146.2 secs Computing kpt #: 254 total cpu time spent up to now is 146.9 secs Computing kpt #: 255 total cpu time spent up to now is 147.5 secs Computing kpt #: 256 total cpu time spent up to now is 148.1 secs Computing kpt #: 257 total cpu time spent up to now is 148.7 secs Computing kpt #: 258 total cpu time spent up to now is 149.3 secs Computing kpt #: 259 total cpu time spent up to now is 149.8 secs Computing kpt #: 260 total cpu time spent up to now is 150.4 secs Computing kpt #: 261 total cpu time spent up to now is 151.0 secs Computing kpt #: 262 total cpu time spent up to now is 151.5 secs Computing kpt #: 263 total cpu time spent up to now is 152.1 secs Computing kpt #: 264 total cpu time spent up to now is 152.8 secs Computing kpt #: 265 total cpu time spent up to now is 153.4 secs Computing kpt #: 266 total cpu time spent up to now is 154.0 secs Computing kpt #: 267 total cpu time spent up to now is 154.6 secs Computing kpt #: 268 total cpu time spent up to now is 155.2 secs Computing kpt #: 269 total cpu time spent up to now is 155.8 secs Computing kpt #: 270 total cpu time spent up to now is 156.4 secs Computing kpt #: 271 total cpu time spent up to now is 157.0 secs Computing kpt #: 272 total cpu time spent up to now is 157.7 secs Computing kpt #: 273 total cpu time spent up to now is 158.3 secs Computing kpt #: 274 total cpu time spent up to now is 158.9 secs Computing kpt #: 275 total cpu time spent up to now is 159.5 secs Computing kpt #: 276 total cpu time spent up to now is 160.1 secs Computing kpt #: 277 total cpu time spent up to now is 160.7 secs Computing kpt #: 278 total cpu time spent up to now is 161.3 secs Computing kpt #: 279 total cpu time spent up to now is 161.9 secs Computing kpt #: 280 total cpu time spent up to now is 162.6 secs Computing kpt #: 281 total cpu time spent up to now is 163.2 secs Computing kpt #: 282 total cpu time spent up to now is 163.9 secs Computing kpt #: 283 total cpu time spent up to now is 164.7 secs Computing kpt #: 284 total cpu time spent up to now is 165.4 secs Computing kpt #: 285 total cpu time spent up to now is 166.0 secs Computing kpt #: 286 total cpu time spent up to now is 166.6 secs Computing kpt #: 287 total cpu time spent up to now is 167.2 secs Computing kpt #: 288 total cpu time spent up to now is 167.8 secs Computing kpt #: 289 total cpu time spent up to now is 168.4 secs Computing kpt #: 290 total cpu time spent up to now is 169.0 secs Computing kpt #: 291 total cpu time spent up to now is 169.6 secs Computing kpt #: 292 total cpu time spent up to now is 170.2 secs Computing kpt #: 293 total cpu time spent up to now is 170.8 secs Computing kpt #: 294 total cpu time spent up to now is 171.4 secs Computing kpt #: 295 total cpu time spent up to now is 172.0 secs Computing kpt #: 296 total cpu time spent up to now is 172.5 secs Computing kpt #: 297 total cpu time spent up to now is 173.0 secs Computing kpt #: 298 total cpu time spent up to now is 173.5 secs Computing kpt #: 299 total cpu time spent up to now is 174.1 secs Computing kpt #: 300 total cpu time spent up to now is 174.6 secs Computing kpt #: 301 total cpu time spent up to now is 175.1 secs Computing kpt #: 302 total cpu time spent up to now is 175.6 secs Computing kpt #: 303 total cpu time spent up to now is 176.1 secs Computing kpt #: 304 total cpu time spent up to now is 176.6 secs Computing kpt #: 305 total cpu time spent up to now is 177.1 secs Computing kpt #: 306 total cpu time spent up to now is 177.7 secs Computing kpt #: 307 total cpu time spent up to now is 178.2 secs Computing kpt #: 308 total cpu time spent up to now is 178.7 secs Computing kpt #: 309 total cpu time spent up to now is 179.2 secs Computing kpt #: 310 total cpu time spent up to now is 179.7 secs Computing kpt #: 311 total cpu time spent up to now is 180.3 secs Computing kpt #: 312 total cpu time spent up to now is 180.8 secs Computing kpt #: 313 total cpu time spent up to now is 181.3 secs Computing kpt #: 314 total cpu time spent up to now is 181.9 secs Computing kpt #: 315 total cpu time spent up to now is 182.4 secs Computing kpt #: 316 total cpu time spent up to now is 183.0 secs Computing kpt #: 317 total cpu time spent up to now is 183.5 secs Computing kpt #: 318 total cpu time spent up to now is 184.1 secs Computing kpt #: 319 total cpu time spent up to now is 184.6 secs Computing kpt #: 320 total cpu time spent up to now is 185.2 secs Computing kpt #: 321 total cpu time spent up to now is 185.7 secs Computing kpt #: 322 total cpu time spent up to now is 186.2 secs Computing kpt #: 323 total cpu time spent up to now is 186.8 secs Computing kpt #: 324 total cpu time spent up to now is 187.4 secs Computing kpt #: 325 total cpu time spent up to now is 188.0 secs Computing kpt #: 326 total cpu time spent up to now is 188.5 secs Computing kpt #: 327 total cpu time spent up to now is 189.2 secs Computing kpt #: 328 total cpu time spent up to now is 189.7 secs Computing kpt #: 329 total cpu time spent up to now is 190.3 secs Computing kpt #: 330 total cpu time spent up to now is 191.0 secs Computing kpt #: 331 total cpu time spent up to now is 191.6 secs Computing kpt #: 332 total cpu time spent up to now is 192.2 secs Computing kpt #: 333 total cpu time spent up to now is 192.8 secs Computing kpt #: 334 total cpu time spent up to now is 193.5 secs Computing kpt #: 335 total cpu time spent up to now is 194.2 secs Computing kpt #: 336 total cpu time spent up to now is 194.8 secs Computing kpt #: 337 total cpu time spent up to now is 195.4 secs Computing kpt #: 338 total cpu time spent up to now is 196.0 secs Computing kpt #: 339 total cpu time spent up to now is 196.7 secs Computing kpt #: 340 total cpu time spent up to now is 197.3 secs Computing kpt #: 341 total cpu time spent up to now is 197.9 secs Computing kpt #: 342 total cpu time spent up to now is 198.5 secs Computing kpt #: 343 total cpu time spent up to now is 199.0 secs Computing kpt #: 344 total cpu time spent up to now is 199.7 secs Computing kpt #: 345 total cpu time spent up to now is 200.3 secs Computing kpt #: 346 total cpu time spent up to now is 200.8 secs Computing kpt #: 347 total cpu time spent up to now is 201.4 secs Computing kpt #: 348 total cpu time spent up to now is 202.0 secs Computing kpt #: 349 total cpu time spent up to now is 202.6 secs Computing kpt #: 350 total cpu time spent up to now is 203.3 secs Computing kpt #: 351 total cpu time spent up to now is 203.9 secs Computing kpt #: 352 total cpu time spent up to now is 204.5 secs Computing kpt #: 353 total cpu time spent up to now is 205.1 secs Computing kpt #: 354 total cpu time spent up to now is 205.6 secs Computing kpt #: 355 total cpu time spent up to now is 206.2 secs Computing kpt #: 356 total cpu time spent up to now is 206.8 secs ethr = 2.94E-08, avg # of iterations = 20.9 total cpu time spent up to now is 206.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3527 1.3527 9.7935 9.7935 10.0011 10.0011 10.0011 10.0011 10.7669 10.7669 10.7669 10.7669 12.4022 12.4022 12.4496 12.4496 12.4496 12.4496 14.2133 14.2133 14.2133 14.2133 15.0702 15.0702 15.5650 15.5650 k = 0.0093-0.0053 0.0076 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3540 1.3540 9.7920 9.7920 9.9973 9.9973 10.0022 10.0022 10.7651 10.7651 10.7709 10.7709 12.4001 12.4001 12.4473 12.4473 12.4481 12.4481 14.2104 14.2104 14.2139 14.2139 15.0711 15.0711 15.5595 15.5597 k = 0.0185-0.0107 0.0151 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8020 -42.8020 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3579 1.3579 9.7874 9.7874 9.9892 9.9892 10.0030 10.0030 10.7651 10.7651 10.7772 10.7772 12.3939 12.3939 12.4407 12.4407 12.4436 12.4436 14.2043 14.2043 14.2131 14.2131 15.0737 15.0737 15.5443 15.5444 k = 0.0278-0.0160 0.0227 ( 4263 PWs) bands (ev): -78.8425 -78.8425 -44.5352 -44.5352 -44.2931 -44.2931 -42.8020 -42.8020 -42.8019 -42.8019 -20.9865 -20.9865 -20.3322 -20.3322 -20.3321 -20.3321 1.3644 1.3644 9.7793 9.7793 9.9772 9.9772 10.0046 10.0046 10.7671 10.7671 10.7869 10.7869 12.3834 12.3834 12.4300 12.4300 12.4362 12.4362 14.1956 14.1956 14.2114 14.2114 15.0782 15.0782 15.5229 15.5229 k = 0.0370-0.0214 0.0302 ( 4247 PWs) bands (ev): -78.8421 -78.8421 -44.5352 -44.5352 -44.2931 -44.2931 -42.8020 -42.8020 -42.8017 -42.8017 -20.9866 -20.9866 -20.3322 -20.3322 -20.3322 -20.3322 1.3735 1.3735 9.7663 9.7663 9.9632 9.9632 10.0069 10.0069 10.7701 10.7701 10.7978 10.7978 12.3688 12.3688 12.4155 12.4155 12.4259 12.4259 14.1829 14.1829 14.2087 14.2087 15.0840 15.0840 15.4990 15.4990 k = 0.0463-0.0267 0.0378 ( 4231 PWs) bands (ev): -78.8417 -78.8417 -44.5351 -44.5351 -44.2930 -44.2930 -42.8019 -42.8019 -42.8016 -42.8016 -20.9866 -20.9866 -20.3323 -20.3323 -20.3322 -20.3322 1.3851 1.3851 9.7468 9.7468 9.9489 9.9489 10.0095 10.0095 10.7745 10.7745 10.8101 10.8101 12.3499 12.3499 12.3977 12.3977 12.4129 12.4129 14.1672 14.1672 14.2054 14.2054 15.0899 15.0899 15.4757 15.4757 k = 0.0556-0.0321 0.0454 ( 4223 PWs) bands (ev): -78.8415 -78.8415 -44.5352 -44.5352 -44.2929 -44.2929 -42.8018 -42.8018 -42.8016 -42.8016 -20.9867 -20.9867 -20.3324 -20.3324 -20.3322 -20.3322 1.3993 1.3993 9.7196 9.7196 9.9359 9.9359 10.0119 10.0119 10.7796 10.7796 10.8236 10.8236 12.3269 12.3269 12.3771 12.3771 12.3972 12.3972 14.1490 14.1490 14.2009 14.2009 15.0951 15.0951 15.4552 15.4552 k = 0.0648-0.0374 0.0529 ( 4224 PWs) bands (ev): -78.8415 -78.8415 -44.5353 -44.5353 -44.2929 -44.2929 -42.8018 -42.8018 -42.8015 -42.8015 -20.9868 -20.9868 -20.3325 -20.3325 -20.3323 -20.3323 1.4160 1.4160 9.6840 9.6840 9.9252 9.9252 10.0145 10.0145 10.7857 10.7857 10.8374 10.8374 12.2999 12.2999 12.3542 12.3542 12.3791 12.3791 14.1283 14.1283 14.1957 14.1957 15.0990 15.0990 15.4390 15.4390 k = 0.0741-0.0428 0.0605 ( 4216 PWs) bands (ev): -78.8413 -78.8413 -44.5354 -44.5354 -44.2928 -44.2928 -42.8018 -42.8018 -42.8015 -42.8015 -20.9868 -20.9868 -20.3327 -20.3327 -20.3323 -20.3323 1.4352 1.4352 9.6408 9.6408 9.9176 9.9176 10.0177 10.0177 10.7935 10.7935 10.8516 10.8516 12.2691 12.2691 12.3295 12.3295 12.3587 12.3587 14.1062 14.1062 14.1901 14.1901 15.1016 15.1016 15.4285 15.4285 k = 0.0833-0.0481 0.0680 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5355 -44.5355 -44.2927 -44.2927 -42.8018 -42.8018 -42.8014 -42.8014 -20.9869 -20.9869 -20.3328 -20.3328 -20.3324 -20.3324 1.4569 1.4569 9.5910 9.5910 9.9127 9.9127 10.0213 10.0213 10.8015 10.8015 10.8657 10.8657 12.2351 12.2351 12.3031 12.3031 12.3363 12.3363 14.0832 14.0832 14.1833 14.1833 15.1029 15.1029 15.4235 15.4235 k = 0.0926-0.0535 0.0756 ( 4200 PWs) bands (ev): -78.8408 -78.8408 -44.5356 -44.5356 -44.2925 -44.2925 -42.8018 -42.8018 -42.8013 -42.8013 -20.9870 -20.9870 -20.3330 -20.3330 -20.3325 -20.3325 1.4809 1.4809 9.5355 9.5355 9.9100 9.9100 10.0256 10.0256 10.8104 10.8104 10.8789 10.8789 12.1984 12.1984 12.2754 12.2754 12.3121 12.3121 14.0590 14.0590 14.1757 14.1757 15.1029 15.1029 15.4235 15.4235 k = 0.1019-0.0588 0.0832 ( 4200 PWs) bands (ev): -78.8408 -78.8408 -44.5358 -44.5358 -44.2924 -44.2924 -42.8018 -42.8018 -42.8012 -42.8012 -20.9871 -20.9871 -20.3331 -20.3331 -20.3326 -20.3326 1.5073 1.5073 9.4754 9.4754 9.9084 9.9084 10.0297 10.0297 10.8201 10.8201 10.8908 10.8908 12.1596 12.1596 12.2466 12.2466 12.2863 12.2863 14.0342 14.0342 14.1673 14.1673 15.1020 15.1020 15.4267 15.4267 k = 0.1111-0.0642 0.0907 ( 4200 PWs) bands (ev): -78.8408 -78.8408 -44.5360 -44.5360 -44.2923 -44.2923 -42.8018 -42.8018 -42.8012 -42.8012 -20.9873 -20.9873 -20.3333 -20.3333 -20.3326 -20.3326 1.5361 1.5361 9.4113 9.4113 9.9083 9.9083 10.0346 10.0346 10.8307 10.8307 10.9010 10.9010 12.1190 12.1190 12.2167 12.2167 12.2590 12.2590 14.0087 14.0087 14.1583 14.1583 15.1009 15.1009 15.4326 15.4326 k = 0.1204-0.0695 0.0983 ( 4200 PWs) bands (ev): -78.8408 -78.8408 -44.5362 -44.5362 -44.2921 -44.2921 -42.8018 -42.8018 -42.8012 -42.8012 -20.9874 -20.9874 -20.3336 -20.3336 -20.3327 -20.3327 1.5670 1.5670 9.3444 9.3444 9.9090 9.9090 10.0396 10.0396 10.8417 10.8417 10.9101 10.9101 12.0775 12.0775 12.1861 12.1861 12.2307 12.2307 13.9837 13.9837 14.1484 14.1484 15.1001 15.1001 15.4394 15.4394 k = 0.1296-0.0748 0.1058 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5365 -44.5365 -44.2919 -44.2919 -42.8018 -42.8018 -42.8012 -42.8012 -20.9875 -20.9875 -20.3338 -20.3338 -20.3328 -20.3328 1.6002 1.6002 9.2746 9.2746 9.9101 9.9101 10.0446 10.0446 10.8532 10.8532 10.9178 10.9178 12.0352 12.0352 12.1547 12.1547 12.2012 12.2012 13.9590 13.9590 14.1376 14.1376 15.0995 15.0995 15.4458 15.4458 k = 0.1389-0.0802 0.1134 ( 4212 PWs) bands (ev): -78.8412 -78.8412 -44.5368 -44.5368 -44.2918 -44.2918 -42.8018 -42.8018 -42.8012 -42.8012 -20.9877 -20.9877 -20.3340 -20.3340 -20.3329 -20.3329 1.6355 1.6355 9.2030 9.2030 9.9120 9.9120 10.0502 10.0502 10.8650 10.8650 10.9242 10.9242 11.9928 11.9928 12.1230 12.1230 12.1711 12.1711 13.9347 13.9347 14.1262 14.1262 15.0997 15.0997 15.4515 15.4515 k = 0.1481-0.0855 0.1210 ( 4212 PWs) bands (ev): -78.8412 -78.8412 -44.5370 -44.5370 -44.2916 -44.2916 -42.8018 -42.8018 -42.8011 -42.8011 -20.9878 -20.9878 -20.3343 -20.3343 -20.3330 -20.3330 1.6729 1.6729 9.1298 9.1298 9.9146 9.9146 10.0564 10.0564 10.8767 10.8767 10.9297 10.9297 11.9506 11.9506 12.0911 12.0911 12.1405 12.1405 13.9111 13.9111 14.1141 14.1141 15.1008 15.1008 15.4556 15.4556 k = 0.1574-0.0909 0.1285 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5373 -44.5373 -44.2914 -44.2914 -42.8019 -42.8019 -42.8010 -42.8010 -20.9880 -20.9880 -20.3346 -20.3346 -20.3331 -20.3331 1.7122 1.7122 9.0557 9.0557 9.9178 9.9178 10.0630 10.0630 10.8873 10.8873 10.9352 10.9352 11.9089 11.9089 12.0591 12.0591 12.1095 12.1095 13.8885 13.8885 14.1014 14.1014 15.1027 15.1027 15.4573 15.4573 k = 0.1667-0.0962 0.1361 ( 4216 PWs) bands (ev): -78.8413 -78.8413 -44.5376 -44.5376 -44.2912 -44.2912 -42.8019 -42.8019 -42.8010 -42.8010 -20.9882 -20.9882 -20.3348 -20.3348 -20.3333 -20.3333 1.7535 1.7535 8.9807 8.9807 9.9209 9.9209 10.0696 10.0696 10.8948 10.8948 10.9414 10.9414 11.8680 11.8680 12.0270 12.0270 12.0782 12.0782 13.8661 13.8661 14.0879 14.0879 15.1054 15.1054 15.4556 15.4556 k = 0.1759-0.1016 0.1436 ( 4204 PWs) bands (ev): -78.8409 -78.8409 -44.5378 -44.5378 -44.2910 -44.2910 -42.8019 -42.8019 -42.8008 -42.8008 -20.9883 -20.9883 -20.3351 -20.3351 -20.3334 -20.3334 1.7965 1.7965 8.9056 8.9056 9.9253 9.9253 10.0775 10.0775 10.8980 10.8980 10.9509 10.9509 11.8282 11.8282 11.9955 11.9955 12.0472 12.0472 13.8448 13.8448 14.0739 14.0739 15.1090 15.1090 15.4517 15.4517 k = 0.1852-0.1069 0.1512 ( 4192 PWs) bands (ev): -78.8406 -78.8406 -44.5380 -44.5380 -44.2908 -44.2908 -42.8018 -42.8018 -42.8007 -42.8007 -20.9885 -20.9885 -20.3354 -20.3354 -20.3335 -20.3335 1.8412 1.8412 8.8305 8.8305 9.9300 9.9300 10.0858 10.0858 10.8959 10.8959 10.9640 10.9640 11.7898 11.7898 11.9643 11.9643 12.0163 12.0163 13.8240 13.8240 14.0595 14.0595 15.1133 15.1133 15.4440 15.4440 k = 0.1944-0.1123 0.1588 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5384 -44.5384 -44.2906 -44.2906 -42.8020 -42.8020 -42.8007 -42.8007 -20.9887 -20.9887 -20.3358 -20.3358 -20.3336 -20.3336 1.8875 1.8875 8.7556 8.7556 9.9339 9.9339 10.0932 10.0932 10.8892 10.8892 10.9783 10.9783 11.7524 11.7524 11.9330 11.9330 11.9851 11.9851 13.8036 13.8036 14.0439 14.0439 15.1179 15.1179 15.4314 15.4314 k = 0.2037-0.1176 0.1663 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5387 -44.5387 -44.2904 -44.2904 -42.8020 -42.8020 -42.8006 -42.8006 -20.9889 -20.9889 -20.3361 -20.3361 -20.3338 -20.3338 1.9352 1.9352 8.6814 8.6814 9.9387 9.9387 10.1016 10.1016 10.8792 10.8792 10.9949 10.9949 11.7164 11.7164 11.9026 11.9026 11.9547 11.9547 13.7840 13.7840 14.0281 14.0281 15.1231 15.1231 15.4157 15.4157 k = 0.2130-0.1230 0.1739 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5390 -44.5390 -44.2901 -44.2901 -42.8020 -42.8020 -42.8005 -42.8005 -20.9891 -20.9891 -20.3364 -20.3364 -20.3339 -20.3339 1.9843 1.9843 8.6082 8.6082 9.9440 9.9440 10.1106 10.1106 10.8660 10.8660 11.0131 11.0131 11.6818 11.6818 11.8730 11.8730 11.9248 11.9248 13.7648 13.7648 14.0119 14.0119 15.1285 15.1285 15.3966 15.3966 k = 0.2222-0.1283 0.1814 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5393 -44.5393 -44.2899 -44.2899 -42.8020 -42.8020 -42.8005 -42.8005 -20.9893 -20.9893 -20.3368 -20.3368 -20.3340 -20.3340 2.0346 2.0346 8.5362 8.5362 9.9493 9.9493 10.1197 10.1197 10.8504 10.8504 11.0317 11.0317 11.6484 11.6484 11.8439 11.8439 11.8955 11.8955 13.7465 13.7465 13.9951 13.9951 15.1342 15.1342 15.3737 15.3737 k = 0.2315-0.1336 0.1890 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5397 -44.5397 -44.2897 -44.2897 -42.8020 -42.8020 -42.8004 -42.8004 -20.9895 -20.9895 -20.3371 -20.3371 -20.3342 -20.3342 2.0860 2.0860 8.4657 8.4657 9.9547 9.9547 10.1291 10.1291 10.8325 10.8325 11.0509 11.0509 11.6160 11.6160 11.8156 11.8156 11.8669 11.8669 13.7288 13.7288 13.9778 13.9778 15.1397 15.1397 15.3475 15.3475 k = 0.2407-0.1390 0.1966 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5400 -44.5400 -44.2895 -44.2895 -42.8021 -42.8021 -42.8003 -42.8003 -20.9897 -20.9897 -20.3375 -20.3375 -20.3343 -20.3343 2.1383 2.1383 8.3969 8.3969 9.9604 9.9604 10.1387 10.1387 10.8127 10.8127 11.0707 11.0707 11.5845 11.5845 11.7881 11.7881 11.8392 11.8392 13.7117 13.7117 13.9601 13.9601 15.1451 15.1451 15.3182 15.3182 k = 0.2500-0.1443 0.2041 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5403 -44.5403 -44.2892 -44.2892 -42.8021 -42.8021 -42.8002 -42.8002 -20.9899 -20.9899 -20.3378 -20.3378 -20.3345 -20.3345 2.1914 2.1914 8.3301 8.3301 9.9662 9.9662 10.1485 10.1485 10.7911 10.7911 11.0904 11.0904 11.5537 11.5537 11.7614 11.7614 11.8122 11.8122 13.6951 13.6951 13.9419 13.9419 15.1499 15.1499 15.2859 15.2859 k = 0.2593-0.1497 0.2117 ( 4196 PWs) bands (ev): -78.8408 -78.8408 -44.5406 -44.5406 -44.2890 -44.2890 -42.8021 -42.8021 -42.8001 -42.8001 -20.9902 -20.9902 -20.3382 -20.3382 -20.3346 -20.3346 2.2450 2.2450 8.2655 8.2655 9.9726 9.9726 10.1592 10.1592 10.7683 10.7683 11.1110 11.1110 11.5236 11.5236 11.7359 11.7359 11.7865 11.7865 13.6794 13.6794 13.9236 13.9236 15.1542 15.1542 15.2518 15.2518 k = 0.2685-0.1550 0.2192 ( 4188 PWs) bands (ev): -78.8406 -78.8406 -44.5408 -44.5408 -44.2888 -44.2888 -42.8020 -42.8020 -42.8000 -42.8000 -20.9904 -20.9904 -20.3386 -20.3386 -20.3347 -20.3347 2.2991 2.2991 8.2032 8.2032 9.9788 9.9788 10.1697 10.1697 10.7446 10.7446 11.1320 11.1320 11.4938 11.4938 11.7111 11.7111 11.7617 11.7617 13.6642 13.6642 13.9052 13.9052 15.1572 15.1572 15.2154 15.2154 k = 0.2778-0.1604 0.2268 ( 4188 PWs) bands (ev): -78.8406 -78.8406 -44.5411 -44.5411 -44.2885 -44.2885 -42.8020 -42.8020 -42.7999 -42.7999 -20.9906 -20.9906 -20.3389 -20.3389 -20.3349 -20.3349 2.3534 2.3534 8.1434 8.1434 9.9850 9.9850 10.1802 10.1802 10.7197 10.7197 11.1525 11.1525 11.4636 11.4636 11.6871 11.6871 11.7380 11.7380 13.6491 13.6491 13.8863 13.8863 15.1577 15.1577 15.1785 15.1785 k = 0.2870-0.1657 0.2344 ( 4172 PWs) bands (ev): -78.8402 -78.8402 -44.5413 -44.5413 -44.2883 -44.2883 -42.8020 -42.8020 -42.7998 -42.7998 -20.9908 -20.9908 -20.3393 -20.3393 -20.3350 -20.3350 2.4078 2.4078 8.0864 8.0864 9.9912 9.9912 10.1907 10.1907 10.6955 10.6955 11.1738 11.1738 11.4343 11.4343 11.6638 11.6638 11.7153 11.7153 13.6363 13.6363 13.8676 13.8676 15.1343 15.1343 15.1623 15.1623 k = 0.2963-0.1711 0.2419 ( 4164 PWs) bands (ev): -78.8399 -78.8399 -44.5415 -44.5415 -44.2881 -44.2881 -42.8020 -42.8020 -42.7996 -42.7996 -20.9910 -20.9910 -20.3397 -20.3397 -20.3352 -20.3352 2.4620 2.4620 8.0321 8.0321 9.9976 9.9976 10.2017 10.2017 10.6702 10.6702 11.1935 11.1935 11.4042 11.4042 11.6417 11.6417 11.6941 11.6941 13.6229 13.6229 13.8485 13.8485 15.0944 15.0944 15.1594 15.1594 k = 0.3056-0.1764 0.2495 ( 4172 PWs) bands (ev): -78.8402 -78.8402 -44.5419 -44.5419 -44.2879 -44.2879 -42.8020 -42.8020 -42.7996 -42.7996 -20.9912 -20.9912 -20.3400 -20.3400 -20.3353 -20.3353 2.5159 2.5159 7.9805 7.9805 10.0037 10.0037 10.2123 10.2123 10.6443 10.6443 11.2119 11.2119 11.3741 11.3741 11.6201 11.6201 11.6737 11.6737 13.6090 13.6090 13.8293 13.8293 15.0526 15.0526 15.1343 15.1343 k = 0.3148-0.1818 0.2570 ( 4176 PWs) bands (ev): -78.8403 -78.8403 -44.5422 -44.5422 -44.2877 -44.2877 -42.8021 -42.8021 -42.7995 -42.7995 -20.9915 -20.9915 -20.3404 -20.3404 -20.3354 -20.3354 2.5691 2.5691 7.9320 7.9320 10.0100 10.0100 10.2231 10.2231 10.6184 10.6184 11.2274 11.2274 11.3462 11.3462 11.5997 11.5997 11.6549 11.6549 13.5951 13.5951 13.8102 13.8102 15.0105 15.0105 15.0867 15.0867 k = 0.3241-0.1871 0.2646 ( 4168 PWs) bands (ev): -78.8401 -78.8401 -44.5425 -44.5425 -44.2875 -44.2875 -42.8020 -42.8020 -42.7994 -42.7994 -20.9917 -20.9917 -20.3408 -20.3408 -20.3355 -20.3355 2.6217 2.6217 7.8866 7.8866 10.0164 10.0164 10.2342 10.2342 10.5933 10.5933 11.2357 11.2357 11.3249 11.3249 11.5804 11.5804 11.6376 11.6376 13.5824 13.5824 13.7913 13.7913 14.9686 14.9686 15.0391 15.0391 k = 0.3333-0.1925 0.2722 ( 4160 PWs) bands (ev): -78.8399 -78.8399 -44.5427 -44.5427 -44.2873 -44.2873 -42.8020 -42.8020 -42.7993 -42.7993 -20.9919 -20.9919 -20.3411 -20.3411 -20.3357 -20.3357 2.6732 2.6732 7.8444 7.8444 10.0228 10.0228 10.2452 10.2452 10.5690 10.5690 11.2280 11.2280 11.3182 11.3182 11.5621 11.5621 11.6216 11.6216 13.5703 13.5703 13.7725 13.7725 14.9269 14.9269 14.9918 14.9918 k = 0.3426-0.1978 0.2797 ( 4168 PWs) bands (ev): -78.8401 -78.8401 -44.5430 -44.5430 -44.2871 -44.2871 -42.8021 -42.8021 -42.7993 -42.7993 -20.9921 -20.9921 -20.3414 -20.3414 -20.3358 -20.3358 2.7235 2.7235 7.8052 7.8052 10.0286 10.0286 10.2555 10.2555 10.5452 10.5452 11.2038 11.2038 11.3256 11.3256 11.5442 11.5442 11.6064 11.6064 13.5583 13.5583 13.7539 13.7539 14.8852 14.8852 14.9450 14.9450 k = 0.3519-0.2031 0.2873 ( 4168 PWs) bands (ev): -78.8401 -78.8401 -44.5433 -44.5433 -44.2869 -44.2869 -42.8021 -42.8021 -42.7992 -42.7992 -20.9923 -20.9923 -20.3418 -20.3418 -20.3359 -20.3359 2.7723 2.7723 7.7693 7.7693 10.0345 10.0345 10.2659 10.2659 10.5224 10.5224 11.1718 11.1718 11.3397 11.3397 11.5276 11.5276 11.5929 11.5929 13.5469 13.5469 13.7357 13.7357 14.8447 14.8447 14.8995 14.8995 k = 0.3611-0.2085 0.2948 ( 4172 PWs) bands (ev): -78.8402 -78.8402 -44.5435 -44.5435 -44.2867 -44.2867 -42.8022 -42.8022 -42.7992 -42.7992 -20.9924 -20.9924 -20.3421 -20.3421 -20.3360 -20.3360 2.8195 2.8195 7.7365 7.7365 10.0402 10.0402 10.2761 10.2761 10.5006 10.5006 11.1362 11.1362 11.3548 11.3548 11.5120 11.5120 11.5806 11.5806 13.5363 13.5363 13.7179 13.7179 14.8053 14.8053 14.8554 14.8554 k = 0.3704-0.2138 0.3024 ( 4172 PWs) bands (ev): -78.8402 -78.8402 -44.5438 -44.5438 -44.2866 -44.2866 -42.8022 -42.8022 -42.7991 -42.7991 -20.9926 -20.9926 -20.3424 -20.3424 -20.3361 -20.3361 2.8649 2.8649 7.7069 7.7069 10.0458 10.0458 10.2860 10.2860 10.4801 10.4801 11.0990 11.0990 11.3713 11.3713 11.4975 11.4975 11.5697 11.5697 13.5260 13.5260 13.7007 13.7007 14.7673 14.7673 14.8129 14.8129 k = 0.3796-0.2192 0.3100 ( 4192 PWs) bands (ev): -78.8407 -78.8407 -44.5441 -44.5441 -44.2864 -44.2864 -42.8023 -42.8023 -42.7992 -42.7992 -20.9928 -20.9928 -20.3427 -20.3427 -20.3362 -20.3362 2.9081 2.9081 7.6801 7.6801 10.0507 10.0507 10.2951 10.2951 10.4604 10.4604 11.0606 11.0606 11.3864 11.3864 11.4836 11.4836 11.5596 11.5596 13.5149 13.5149 13.6840 13.6840 14.7306 14.7306 14.7720 14.7720 k = 0.3889-0.2245 0.3175 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5444 -44.5444 -44.2863 -44.2863 -42.8023 -42.8023 -42.7993 -42.7993 -20.9930 -20.9930 -20.3429 -20.3429 -20.3363 -20.3363 2.9490 2.9490 7.6563 7.6563 10.0555 10.0555 10.3039 10.3039 10.4423 10.4423 11.0222 11.0222 11.4012 11.4012 11.4712 11.4712 11.5509 11.5509 13.5045 13.5045 13.6682 13.6682 14.6958 14.6958 14.7332 14.7332 k = 0.3981-0.2299 0.3251 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5446 -44.5446 -44.2861 -44.2861 -42.8023 -42.8023 -42.7992 -42.7992 -20.9931 -20.9931 -20.3432 -20.3432 -20.3364 -20.3364 2.9874 2.9874 7.6355 7.6355 10.0604 10.0604 10.3127 10.3127 10.4262 10.4262 10.9843 10.9843 11.4142 11.4142 11.4614 11.4614 11.5442 11.5442 13.4960 13.4960 13.6532 13.6532 14.6635 14.6635 14.6970 14.6970 k = 0.4074-0.2352 0.3326 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5448 -44.5448 -44.2860 -44.2860 -42.8023 -42.8023 -42.7991 -42.7991 -20.9932 -20.9932 -20.3434 -20.3434 -20.3365 -20.3365 3.0232 3.0232 7.6174 7.6174 10.0648 10.0648 10.3205 10.3205 10.4117 10.4117 10.9470 10.9470 11.4234 11.4234 11.4546 11.4546 11.5387 11.5387 13.4880 13.4880 13.6391 13.6391 14.6332 14.6332 14.6631 14.6631 k = 0.4167-0.2406 0.3402 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5449 -44.5449 -44.2859 -44.2859 -42.8023 -42.8023 -42.7990 -42.7990 -20.9934 -20.9934 -20.3436 -20.3436 -20.3366 -20.3366 3.0561 3.0561 7.6019 7.6019 10.0688 10.0688 10.3278 10.3278 10.3992 10.3992 10.9110 10.9110 11.4254 11.4254 11.4544 11.4544 11.5348 11.5348 13.4816 13.4816 13.6260 13.6260 14.6053 14.6053 14.6318 14.6318 k = 0.4259-0.2459 0.3478 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5450 -44.5450 -44.2858 -44.2858 -42.8024 -42.8024 -42.7990 -42.7990 -20.9935 -20.9935 -20.3438 -20.3438 -20.3366 -20.3366 3.0859 3.0859 7.5887 7.5887 10.0724 10.0724 10.3341 10.3341 10.3883 10.3883 10.8766 10.8766 11.4211 11.4211 11.4593 11.4593 11.5324 11.5324 13.4755 13.4755 13.6141 13.6141 14.5799 14.5799 14.6031 14.6031 k = 0.4352-0.2513 0.3553 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5452 -44.5452 -44.2857 -44.2857 -42.8023 -42.8023 -42.7990 -42.7990 -20.9936 -20.9936 -20.3440 -20.3440 -20.3367 -20.3367 3.1127 3.1127 7.5776 7.5776 10.0755 10.0755 10.3395 10.3395 10.3791 10.3791 10.8451 10.8451 11.4150 11.4150 11.4650 11.4650 11.5318 11.5318 13.4692 13.4692 13.6033 13.6033 14.5573 14.5573 14.5774 14.5774 k = 0.4444-0.2566 0.3629 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5453 -44.5453 -44.2856 -44.2856 -42.8024 -42.8024 -42.7990 -42.7990 -20.9937 -20.9937 -20.3442 -20.3442 -20.3368 -20.3368 3.1361 3.1361 7.5685 7.5685 10.0783 10.0783 10.3438 10.3438 10.3720 10.3720 10.8160 10.8160 11.4091 11.4091 11.4693 11.4693 11.5329 11.5329 13.4641 13.4641 13.5938 13.5938 14.5376 14.5376 14.5547 14.5547 k = 0.4537-0.2619 0.3704 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5454 -44.5454 -44.2855 -44.2855 -42.8023 -42.8023 -42.7990 -42.7990 -20.9938 -20.9938 -20.3443 -20.3443 -20.3368 -20.3368 3.1561 3.1561 7.5612 7.5612 10.0805 10.0805 10.3464 10.3464 10.3673 10.3673 10.7910 10.7910 11.4035 11.4035 11.4720 11.4720 11.5349 11.5349 13.4597 13.4597 13.5856 13.5856 14.5207 14.5207 14.5350 14.5350 k = 0.4630-0.2673 0.3780 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5455 -44.5455 -44.2855 -44.2855 -42.8023 -42.8023 -42.7990 -42.7990 -20.9938 -20.9938 -20.3444 -20.3444 -20.3368 -20.3368 3.1726 3.1726 7.5555 7.5555 10.0825 10.0825 10.3472 10.3472 10.3650 10.3650 10.7691 10.7691 11.3992 11.3992 11.4736 11.4736 11.5378 11.5378 13.4561 13.4561 13.5788 13.5788 14.5071 14.5071 14.5187 14.5187 k = 0.4722-0.2726 0.3856 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5455 -44.5455 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3445 -20.3445 -20.3369 -20.3369 3.1855 3.1855 7.5514 7.5514 10.0842 10.0842 10.3467 10.3467 10.3650 10.3650 10.7516 10.7516 11.3961 11.3961 11.4745 11.4745 11.5407 11.5407 13.4541 13.4541 13.5734 13.5734 14.4967 14.4967 14.5058 14.5058 k = 0.4815-0.2780 0.3931 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5455 -44.5455 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.1948 3.1948 7.5485 7.5485 10.0852 10.0852 10.3455 10.3455 10.3655 10.3655 10.7387 10.7387 11.3936 11.3936 11.4749 11.4749 11.5430 11.5430 13.4520 13.4520 13.5696 13.5696 14.4894 14.4894 14.4962 14.4962 k = 0.4907-0.2833 0.4007 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5456 -44.5456 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2004 3.2004 7.5468 7.5468 10.0859 10.0859 10.3447 10.3447 10.3660 10.3660 10.7309 10.7309 11.3921 11.3921 11.4750 11.4750 11.5445 11.5445 13.4508 13.4508 13.5672 13.5672 14.4852 14.4852 14.4903 14.4903 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5456 -44.5456 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2022 3.2022 7.5462 7.5462 10.0861 10.0861 10.3444 10.3444 10.3663 10.3663 10.7283 10.7283 11.3916 11.3916 11.4750 11.4750 11.5450 11.5450 13.4504 13.4504 13.5665 13.5665 14.4839 14.4839 14.4882 14.4882 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5456 -44.5456 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2022 3.2022 7.5462 7.5462 10.0861 10.0861 10.3444 10.3444 10.3663 10.3663 10.7283 10.7283 11.3916 11.3916 11.4750 11.4750 11.5450 11.5450 13.4504 13.4504 13.5665 13.5665 14.4839 14.4839 14.4882 14.4882 k = 0.5000-0.2780 0.4158 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5461 -44.5450 -44.2860 -44.2847 -42.8023 -42.8023 -42.7990 -42.7987 -20.9940 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2024 3.2028 7.5464 7.5480 10.0610 10.0858 10.2984 10.3198 10.4010 10.4156 10.7255 10.7325 11.3905 11.3922 11.4613 11.4886 11.5354 11.5562 13.4494 13.4531 13.5691 13.5695 14.4832 14.4837 14.4878 14.4884 k = 0.5000-0.2673 0.4234 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5467 -44.5445 -44.2867 -44.2840 -42.8024 -42.8024 -42.7991 -42.7986 -20.9940 -20.9938 -20.3447 -20.3445 -20.3369 -20.3369 3.2033 3.2042 7.5487 7.5519 10.0169 10.0580 10.2549 10.2884 10.4492 10.4784 10.7236 10.7373 11.3890 11.3924 11.4477 11.4999 11.5297 11.5685 13.4498 13.4573 13.5774 13.5781 14.4819 14.4820 14.4878 14.4880 k = 0.5000-0.2566 0.4309 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5472 -44.5440 -44.2874 -44.2834 -42.8025 -42.8025 -42.7993 -42.7985 -20.9941 -20.9938 -20.3447 -20.3444 -20.3370 -20.3369 3.2051 3.2064 7.5531 7.5579 9.9606 10.0078 10.2187 10.2572 10.5014 10.5418 10.7239 10.7438 11.3872 11.3923 11.4342 11.5018 11.5346 11.5821 13.4520 13.4634 13.5909 13.5920 14.4787 14.4802 14.4870 14.4882 k = 0.5000-0.2459 0.4385 ( 4204 PWs) bands (ev): -78.8412 -78.8412 -44.5478 -44.5436 -44.2881 -44.2827 -42.8025 -42.8025 -42.7994 -42.7983 -20.9941 -20.9937 -20.3447 -20.3443 -20.3370 -20.3369 3.2076 3.2093 7.5594 7.5660 9.8968 9.9439 10.1844 10.2236 10.5544 10.6032 10.7254 10.7508 11.3848 11.3917 11.4210 11.4953 11.5501 11.5972 13.4559 13.4711 13.6093 13.6105 14.4743 14.4778 14.4854 14.4886 k = 0.5000-0.2352 0.4460 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5483 -44.5430 -44.2887 -44.2821 -42.8025 -42.8025 -42.7995 -42.7982 -20.9941 -20.9937 -20.3447 -20.3442 -20.3370 -20.3369 3.2108 3.2129 7.5678 7.5761 9.8285 9.8729 10.1485 10.1867 10.6065 10.6607 10.7299 10.7593 11.3823 11.3910 11.4086 11.4870 11.5706 11.6144 13.4618 13.4810 13.6317 13.6331 14.4687 14.4746 14.4837 14.4891 k = 0.5000-0.2245 0.4536 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5488 -44.5425 -44.2894 -44.2815 -42.8025 -42.8025 -42.7996 -42.7980 -20.9942 -20.9936 -20.3447 -20.3441 -20.3371 -20.3370 3.2146 3.2172 7.5783 7.5883 9.7575 9.7980 10.1093 10.1459 10.6552 10.7054 10.7451 10.7698 11.3796 11.3900 11.3964 11.4781 11.5935 11.6330 13.4697 13.4926 13.6575 13.6590 14.4620 14.4702 14.4820 14.4895 k = 0.5000-0.2138 0.4612 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5493 -44.5420 -44.2900 -44.2808 -42.8026 -42.8025 -42.7998 -42.7979 -20.9942 -20.9936 -20.3447 -20.3440 -20.3371 -20.3370 3.2191 3.2221 7.5907 7.6025 9.6848 9.7209 10.0666 10.1017 10.6974 10.7216 10.7835 10.7847 11.3764 11.3837 11.3896 11.4692 11.6189 11.6534 13.4789 13.5056 13.6860 13.6875 14.4541 14.4644 14.4802 14.4897 k = 0.5000-0.2031 0.4687 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5498 -44.5414 -44.2906 -44.2803 -42.8026 -42.8025 -42.7998 -42.7978 -20.9942 -20.9935 -20.3447 -20.3439 -20.3371 -20.3371 3.2242 3.2276 7.6051 7.6189 9.6112 9.6429 10.0211 10.0545 10.7277 10.7294 10.8049 10.8312 11.3724 11.3733 11.3883 11.4606 11.6467 11.6755 13.4905 13.5209 13.7163 13.7178 14.4452 14.4576 14.4785 14.4899 k = 0.5000-0.1925 0.4763 ( 4208 PWs) bands (ev): -78.8413 -78.8413 -44.5503 -44.5410 -44.2913 -44.2797 -42.8027 -42.8026 -42.7999 -42.7977 -20.9942 -20.9935 -20.3446 -20.3438 -20.3372 -20.3371 3.2298 3.2335 7.6215 7.6373 9.5372 9.5643 9.9729 10.0049 10.7311 10.7486 10.8344 10.8753 11.3610 11.3697 11.3867 11.4519 11.6762 11.6988 13.5038 13.5377 13.7478 13.7494 14.4351 14.4495 14.4766 14.4896 k = 0.5000-0.1818 0.4838 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5507 -44.5405 -44.2919 -44.2791 -42.8027 -42.8026 -42.8000 -42.7975 -20.9943 -20.9934 -20.3446 -20.3436 -20.3373 -20.3372 3.2358 3.2400 7.6398 7.6578 9.4632 9.4859 9.9230 9.9537 10.7344 10.7603 10.8685 10.9161 11.3506 11.3662 11.3854 11.4440 11.7081 11.7240 13.5194 13.5565 13.7799 13.7817 14.4239 14.4403 14.4745 14.4893 k = 0.5000-0.1711 0.4914 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5511 -44.5400 -44.2924 -44.2786 -42.8028 -42.8026 -42.8001 -42.7974 -20.9943 -20.9934 -20.3445 -20.3435 -20.3373 -20.3372 3.2422 3.2467 7.6601 7.6804 9.3896 9.4077 9.8719 9.9014 10.7366 10.7675 10.9024 10.9530 11.3405 11.3623 11.3837 11.4363 11.7414 11.7503 13.5370 13.5771 13.8122 13.8141 14.4114 14.4298 14.4720 14.4885 k = 0.5000-0.1604 0.4990 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5515 -44.5396 -44.2930 -44.2781 -42.8028 -42.8027 -42.8001 -42.7972 -20.9943 -20.9933 -20.3445 -20.3433 -20.3374 -20.3373 3.2489 3.2537 7.6822 7.7051 9.3166 9.3301 9.8205 9.8489 10.7388 10.7730 10.9349 10.9864 11.3311 11.3584 11.3823 11.4294 11.7758 11.7775 13.5568 13.5997 13.8442 13.8464 14.3978 14.4182 14.4693 14.4875 k = 0.5000-0.1497 0.5065 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5519 -44.5391 -44.2935 -44.2776 -42.8029 -42.8027 -42.8001 -42.7971 -20.9943 -20.9933 -20.3444 -20.3432 -20.3374 -20.3374 3.2557 3.2609 7.7062 7.7318 9.2445 9.2533 9.7692 9.7967 10.7406 10.7771 10.9651 11.0165 11.3222 11.3543 11.3807 11.4228 11.8052 11.8107 13.5786 13.6239 13.8757 13.8781 14.3829 14.4054 14.4661 14.4860 k = 0.5000-0.1390 0.5141 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5522 -44.5387 -44.2940 -44.2772 -42.8029 -42.8027 -42.8002 -42.7970 -20.9943 -20.9932 -20.3444 -20.3430 -20.3375 -20.3375 3.2626 3.2682 7.7319 7.7606 9.1734 9.1773 9.7188 9.7454 10.7417 10.7799 10.9927 11.0434 11.3135 11.3496 11.3789 11.4166 11.8326 11.8452 13.6022 13.6494 13.9064 13.9091 14.3666 14.3913 14.4624 14.4840 k = 0.5000-0.1283 0.5217 ( 4212 PWs) bands (ev): -78.8413 -78.8413 -44.5526 -44.5384 -44.2945 -44.2768 -42.8030 -42.8028 -42.8003 -42.7969 -20.9943 -20.9932 -20.3443 -20.3429 -20.3376 -20.3376 3.2696 3.2755 7.7592 7.7913 9.1024 9.1035 9.6698 9.6956 10.7429 10.7825 11.0174 11.0671 11.3049 11.3442 11.3772 11.4111 11.8595 11.8789 13.6273 13.6761 13.9361 13.9392 14.3490 14.3759 14.4581 14.4815 k = 0.5000-0.1176 0.5292 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5529 -44.5380 -44.2949 -44.2764 -42.8031 -42.8027 -42.8003 -42.7968 -20.9943 -20.9931 -20.3443 -20.3427 -20.3376 -20.3376 3.2764 3.2826 7.7883 7.8242 9.0287 9.0351 9.6227 9.6479 10.7442 10.7849 11.0405 11.0891 11.2969 11.3389 11.3758 11.4065 11.8855 11.9113 13.6547 13.7047 13.9647 13.9684 14.3301 14.3593 14.4533 14.4783 k = 0.5000-0.1069 0.5368 ( 4212 PWs) bands (ev): -78.8413 -78.8413 -44.5532 -44.5377 -44.2954 -44.2760 -42.8031 -42.8028 -42.8004 -42.7967 -20.9944 -20.9931 -20.3442 -20.3425 -20.3377 -20.3377 3.2831 3.2896 7.8188 7.8590 8.9563 8.9684 9.5781 9.6028 10.7449 10.7864 11.0614 11.1088 11.2886 11.3327 11.3740 11.4021 11.9103 11.9419 13.6837 13.7344 13.9922 13.9963 14.3099 14.3414 14.4476 14.4743 k = 0.5000-0.0962 0.5443 ( 4216 PWs) bands (ev): -78.8414 -78.8414 -44.5535 -44.5374 -44.2957 -44.2757 -42.8032 -42.8028 -42.8004 -42.7966 -20.9944 -20.9930 -20.3441 -20.3424 -20.3378 -20.3377 3.2895 3.2962 7.8506 7.8959 8.8852 8.9037 9.5364 9.5605 10.7453 10.7875 11.0805 11.1269 11.2805 11.3259 11.3724 11.3984 11.9334 11.9704 13.7141 13.7650 14.0183 14.0231 14.2883 14.3223 14.4412 14.4695 k = 0.5000-0.0855 0.5519 ( 4212 PWs) bands (ev): -78.8413 -78.8413 -44.5537 -44.5371 -44.2961 -44.2754 -42.8032 -42.8028 -42.8004 -42.7966 -20.9944 -20.9930 -20.3441 -20.3422 -20.3379 -20.3378 3.2955 3.3025 7.8835 7.9349 8.8156 8.8411 9.4980 9.5217 10.7458 10.7886 11.0985 11.1441 11.2730 11.3193 11.3713 11.3955 11.9548 11.9966 13.7458 13.7964 14.0430 14.0485 14.2655 14.3022 14.4341 14.4640 k = 0.5000-0.0748 0.5595 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5539 -44.5368 -44.2964 -44.2751 -42.8032 -42.8028 -42.8004 -42.7965 -20.9944 -20.9930 -20.3440 -20.3421 -20.3380 -20.3378 3.3010 3.3082 7.9171 7.9758 8.7475 8.7813 9.4632 9.4866 10.7465 10.7896 11.1150 11.1598 11.2651 11.3120 11.3702 11.3932 11.9742 12.0201 13.7785 13.8282 14.0661 14.0725 14.2415 14.2810 14.4263 14.4577 k = 0.5000-0.0642 0.5670 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5541 -44.5366 -44.2967 -44.2749 -42.8032 -42.8028 -42.8004 -42.7964 -20.9944 -20.9929 -20.3440 -20.3419 -20.3381 -20.3379 3.3060 3.3134 7.9511 8.0187 8.6810 8.7245 9.4325 9.4556 10.7468 10.7903 11.1302 11.1746 11.2574 11.3043 11.3692 11.3913 11.9915 12.0411 13.8118 13.8601 14.0874 14.0948 14.2163 14.2589 14.4181 14.4509 k = 0.5000-0.0535 0.5746 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5542 -44.5364 -44.2969 -44.2747 -42.8033 -42.8028 -42.8004 -42.7964 -20.9944 -20.9929 -20.3439 -20.3418 -20.3382 -20.3379 3.3103 3.3179 7.9847 8.0635 8.6160 8.6714 9.4060 9.4288 10.7470 10.7908 11.1441 11.1882 11.2490 11.2957 11.3685 11.3898 12.0058 12.0583 13.8453 13.8914 14.1066 14.1151 14.1900 14.2359 14.4096 14.4438 k = 0.5000-0.0428 0.5821 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5543 -44.5362 -44.2971 -44.2745 -42.8033 -42.8028 -42.8004 -42.7963 -20.9944 -20.9929 -20.3439 -20.3417 -20.3383 -20.3380 3.3140 3.3217 8.0170 8.1104 8.5527 8.6233 9.3840 9.4066 10.7472 10.7912 11.1576 11.2015 11.2408 11.2872 11.3678 11.3887 12.0179 12.0728 13.8787 13.9220 14.1231 14.1330 14.1632 14.2129 14.4013 14.4368 k = 0.5000-0.0321 0.5897 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5544 -44.5361 -44.2972 -44.2744 -42.8033 -42.8028 -42.8004 -42.7963 -20.9944 -20.9929 -20.3438 -20.3416 -20.3384 -20.3380 3.3169 3.3247 8.0463 8.1591 8.4911 8.5816 9.3666 9.3892 10.7473 10.7914 11.1699 11.2138 11.2321 11.2780 11.3672 11.3878 12.0273 12.0841 13.9111 13.9504 14.1314 14.1415 14.1480 14.1904 14.3936 14.4305 k = 0.5000-0.0214 0.5973 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5545 -44.5360 -44.2973 -44.2743 -42.8033 -42.8028 -42.8004 -42.7962 -20.9944 -20.9929 -20.3438 -20.3416 -20.3384 -20.3380 3.3190 3.3269 8.0705 8.2098 8.4313 8.5486 9.3542 9.3766 10.7476 10.7919 11.1816 11.2230 11.2255 11.2684 11.3669 11.3875 12.0344 12.0925 13.9414 13.9754 14.1082 14.1488 14.1587 14.1706 14.3874 14.4253 k = 0.5000-0.0107 0.6048 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3203 3.3282 8.0869 8.2623 8.3734 8.5270 9.3467 9.3691 10.7481 10.7924 11.1927 11.2144 11.2373 11.2590 11.3673 11.3876 12.0386 12.0974 13.9660 13.9937 14.0863 14.1530 14.1552 14.1682 14.3832 14.4220 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7961 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3207 3.3286 8.0927 8.3118 8.3220 8.5194 9.3441 9.3665 10.7481 10.7924 11.2001 11.2075 11.2464 11.2503 11.3672 11.3875 12.0399 12.0991 13.9766 14.0007 14.0765 14.1473 14.1574 14.1704 14.3818 14.4208 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7961 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3207 3.3286 8.0927 8.3118 8.3220 8.5194 9.3441 9.3665 10.7481 10.7924 11.2001 11.2075 11.2464 11.2503 11.3672 11.3875 12.0399 12.0991 13.9766 14.0007 14.0765 14.1473 14.1574 14.1704 14.3818 14.4208 k = 0.4934 0.0114 0.6124 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3202 3.3281 8.0889 8.2782 8.3548 8.5224 9.3467 9.3694 10.7483 10.7927 11.1962 11.2119 11.2413 11.2562 11.3673 11.3875 12.0389 12.0979 13.9708 13.9971 14.0814 14.1483 14.1592 14.1709 14.3840 14.4229 k = 0.4868 0.0228 0.6124 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5545 -44.5360 -44.2974 -44.2743 -42.8033 -42.8028 -42.8004 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3188 3.3267 8.0783 8.2419 8.3880 8.5299 9.3545 9.3781 10.7487 10.7930 11.1907 11.2180 11.2361 11.2631 11.3670 11.3871 12.0357 12.0940 13.9552 13.9865 14.0940 14.1499 14.1660 14.1732 14.3897 14.4284 k = 0.4803 0.0342 0.6124 ( 4195 PWs) bands (ev): -78.8409 -78.8409 -44.5544 -44.5360 -44.2973 -44.2743 -42.8033 -42.8027 -42.8004 -42.7962 -20.9944 -20.9928 -20.3438 -20.3416 -20.3384 -20.3380 3.3167 3.3246 8.0629 8.2074 8.4168 8.5399 9.3680 9.3927 10.7499 10.7941 11.1867 11.2244 11.2333 11.2706 11.3675 11.3873 12.0307 12.0879 13.9338 13.9703 14.1111 14.1531 14.1744 14.1815 14.3980 14.4365 k = 0.4737 0.0456 0.6124 ( 4199 PWs) bands (ev): -78.8410 -78.8410 -44.5544 -44.5361 -44.2972 -44.2744 -42.8033 -42.8028 -42.8004 -42.7962 -20.9943 -20.9928 -20.3438 -20.3416 -20.3383 -20.3379 3.3140 3.3218 8.0443 8.1749 8.4406 8.5501 9.3869 9.4130 10.7510 10.7951 11.1840 11.2290 11.2340 11.2779 11.3676 11.3870 12.0233 12.0789 13.9092 13.9502 14.1301 14.1588 14.1822 14.1961 14.4078 14.4460 k = 0.4671 0.0570 0.6124 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5543 -44.5362 -44.2972 -44.2745 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3417 -20.3383 -20.3378 3.3108 3.3186 8.0240 8.1444 8.4595 8.5592 9.4110 9.4383 10.7524 10.7963 11.1831 11.2318 11.2393 11.2855 11.3681 11.3868 12.0135 12.0670 13.8834 13.9278 14.1496 14.1671 14.1925 14.2131 14.4185 14.4565 k = 0.4605 0.0684 0.6124 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5543 -44.5363 -44.2970 -44.2746 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3417 -20.3382 -20.3378 3.3073 3.3150 8.0029 8.1159 8.4738 8.5665 9.4395 9.4679 10.7540 10.7974 11.1835 11.2353 11.2452 11.2925 11.3687 11.3866 12.0018 12.0527 13.8573 13.9043 14.1689 14.1781 14.2057 14.2312 14.4299 14.4675 k = 0.4539 0.0798 0.6124 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5541 -44.5363 -44.2969 -44.2747 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3418 -20.3381 -20.3377 3.3035 3.3112 7.9818 8.0894 8.4840 8.5718 9.4715 9.5008 10.7563 10.7990 11.1858 11.2410 11.2515 11.2998 11.3698 11.3868 11.9884 12.0361 13.8318 13.8808 14.1875 14.1917 14.2214 14.2498 14.4418 14.4789 k = 0.4474 0.0912 0.6124 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5540 -44.5364 -44.2968 -44.2749 -42.8033 -42.8027 -42.8004 -42.7964 -20.9943 -20.9928 -20.3440 -20.3419 -20.3381 -20.3376 3.2997 3.3072 7.9614 8.0650 8.4907 8.5751 9.5059 9.5357 10.7587 10.8004 11.1896 11.2485 11.2581 11.3067 11.3713 11.3870 11.9727 12.0168 13.8074 13.8578 14.2045 14.2080 14.2389 14.2685 14.4541 14.4905 k = 0.4408 0.1026 0.6124 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5539 -44.5365 -44.2967 -44.2750 -42.8033 -42.8028 -42.8004 -42.7964 -20.9943 -20.9928 -20.3440 -20.3420 -20.3380 -20.3375 3.2958 3.3033 7.9419 8.0426 8.4945 8.5765 9.5415 9.5715 10.7609 10.8013 11.1951 11.2566 11.2661 11.3135 11.3730 11.3873 11.9551 11.9951 13.7842 13.8357 14.2210 14.2257 14.2574 14.2869 14.4669 14.5024 k = 0.4342 0.1140 0.6124 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5538 -44.5366 -44.2965 -44.2752 -42.8032 -42.8027 -42.8003 -42.7965 -20.9942 -20.9928 -20.3440 -20.3420 -20.3379 -20.3374 3.2921 3.2995 7.9237 8.0222 8.4961 8.5766 9.5773 9.6070 10.7642 10.8027 11.2021 11.2632 11.2772 11.3201 11.3754 11.3881 11.9360 11.9714 13.7630 13.8152 14.2378 14.2432 14.2759 14.3046 14.4805 14.5149 k = 0.4276 0.1253 0.6124 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5536 -44.5367 -44.2964 -44.2753 -42.8032 -42.8027 -42.8003 -42.7965 -20.9942 -20.9928 -20.3440 -20.3421 -20.3378 -20.3373 3.2885 3.2958 7.9070 8.0040 8.4961 8.5756 9.6122 9.6412 10.7673 10.8036 11.2101 11.2682 11.2911 11.3266 11.3780 11.3887 11.9156 11.9460 13.7437 13.7962 14.2545 14.2602 14.2936 14.3212 14.4951 14.5279 k = 0.4211 0.1367 0.6124 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5536 -44.5368 -44.2963 -44.2754 -42.8032 -42.8027 -42.8004 -42.7966 -20.9942 -20.9928 -20.3441 -20.3422 -20.3378 -20.3372 3.2852 3.2924 7.8920 7.9878 8.4950 8.5739 9.6451 9.6731 10.7704 10.8041 11.2189 11.2720 11.3059 11.3337 11.3809 11.3896 11.8940 11.9193 13.7263 13.7791 14.2706 14.2762 14.3097 14.3362 14.5107 14.5416 k = 0.4145 0.1481 0.6124 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5535 -44.5369 -44.2962 -44.2756 -42.8032 -42.8027 -42.8004 -42.7966 -20.9942 -20.9928 -20.3441 -20.3422 -20.3377 -20.3371 3.2821 3.2893 7.8787 7.9738 8.4933 8.5718 9.6754 9.7019 10.7738 10.8045 11.2282 11.2754 11.3195 11.3434 11.3842 11.3912 11.8719 11.8926 13.7111 13.7640 14.2857 14.2912 14.3235 14.3492 14.5274 14.5561 k = 0.4079 0.1595 0.6124 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5533 -44.5370 -44.2960 -44.2757 -42.8032 -42.8027 -42.8003 -42.7966 -20.9942 -20.9928 -20.3441 -20.3423 -20.3377 -20.3371 3.2795 3.2866 7.8674 7.9619 8.4913 8.5696 9.7024 9.7271 10.7774 10.8048 11.2374 11.2781 11.3286 11.3580 11.3875 11.3940 11.8493 11.8672 13.6983 13.7512 14.2994 14.3048 14.3346 14.3598 14.5445 14.5709 k = 0.4013 0.1709 0.6124 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5533 -44.5371 -44.2960 -44.2758 -42.8032 -42.8027 -42.8003 -42.7967 -20.9942 -20.9928 -20.3442 -20.3423 -20.3376 -20.3370 3.2772 3.2843 7.8580 7.9521 8.4892 8.5675 9.7253 9.7481 10.7808 10.8046 11.2458 11.2803 11.3340 11.3751 11.3898 11.3984 11.8264 11.8446 13.6877 13.7405 14.3113 14.3169 14.3426 14.3679 14.5612 14.5854 k = 0.3947 0.1823 0.6124 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5532 -44.5371 -44.2959 -44.2758 -42.8032 -42.8026 -42.8003 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3376 -20.3370 3.2754 3.2825 7.8507 7.9446 8.4875 8.5657 9.7438 9.7646 10.7839 10.8043 11.2531 11.2820 11.3376 11.3885 11.3941 11.4049 11.8046 11.8261 13.6796 13.7322 14.3212 14.3274 14.3478 14.3736 14.5762 14.5986 k = 0.3882 0.1937 0.6124 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5531 -44.5371 -44.2958 -44.2759 -42.8032 -42.8026 -42.8002 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3376 -20.3369 3.2742 3.2812 7.8455 7.9391 8.4861 8.5643 9.7573 9.7764 10.7866 10.8039 11.2585 11.2830 11.3397 11.3910 11.4022 11.4145 11.7861 11.8123 13.6737 13.7263 14.3287 14.3360 14.3502 14.3772 14.5881 14.6092 k = 0.3816 0.2051 0.6124 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5531 -44.5372 -44.2958 -44.2759 -42.8032 -42.8026 -42.8002 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2734 3.2803 7.8422 7.9358 8.4852 8.5635 9.7655 9.7834 10.7883 10.8033 11.2616 11.2834 11.3408 11.3915 11.4062 11.4233 11.7735 11.8034 13.6701 13.7226 14.3333 14.3426 14.3500 14.3791 14.5958 14.6163 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5983 14.6187 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5984 14.6187 k = 0.3684 0.2127 0.6016 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5533 -44.5370 -44.2961 -44.2758 -42.8033 -42.8027 -42.8003 -42.7967 -20.9941 -20.9927 -20.3441 -20.3423 -20.3375 -20.3368 3.2726 3.2797 7.8588 7.9739 8.4015 8.5029 9.7365 9.7536 10.7984 10.8139 11.2836 11.2913 11.3394 11.3902 11.4109 11.4580 11.7823 11.8135 13.6921 13.7456 14.3381 14.3561 14.3621 14.3745 14.6644 14.6741 k = 0.3618 0.2089 0.5909 ( 4211 PWs) bands (ev): -78.8413 -78.8413 -44.5534 -44.5368 -44.2963 -44.2757 -42.8033 -42.8027 -42.8003 -42.7967 -20.9940 -20.9927 -20.3441 -20.3422 -20.3375 -20.3368 3.2703 3.2776 7.8710 8.0136 8.3239 8.4542 9.7056 9.7225 10.8086 10.8255 11.2812 11.3128 11.3364 11.3855 11.4231 11.4911 11.7957 11.8267 13.7163 13.7708 14.3322 14.3630 14.3662 14.3746 14.6723 14.6887 k = 0.3553 0.2051 0.5801 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5533 -44.5365 -44.2965 -44.2756 -42.8033 -42.8026 -42.8003 -42.7967 -20.9940 -20.9926 -20.3440 -20.3421 -20.3374 -20.3367 3.2660 3.2734 7.8758 8.0518 8.2546 8.4195 9.6758 9.6924 10.8196 10.8378 11.2782 11.3271 11.3331 11.3801 11.4428 11.5247 11.8095 11.8404 13.7415 13.7967 14.3277 14.3594 14.3708 14.3755 14.6723 14.6897 k = 0.3487 0.2013 0.5694 ( 4207 PWs) bands (ev): -78.8412 -78.8412 -44.5534 -44.5364 -44.2967 -44.2755 -42.8033 -42.8026 -42.8003 -42.7967 -20.9939 -20.9925 -20.3440 -20.3420 -20.3373 -20.3366 3.2595 3.2670 7.8721 8.0792 8.2029 8.4003 9.6469 9.6632 10.8300 10.8495 11.2738 11.3286 11.3344 11.3737 11.4667 11.5570 11.8230 11.8538 13.7668 13.8224 14.3251 14.3563 14.3712 14.3740 14.6737 14.6907 k = 0.3421 0.1975 0.5587 ( 4217 PWs) bands (ev): -78.8414 -78.8414 -44.5534 -44.5363 -44.2968 -44.2755 -42.8034 -42.8027 -42.8004 -42.7967 -20.9938 -20.9924 -20.3439 -20.3419 -20.3372 -20.3365 3.2506 3.2581 7.8600 8.0686 8.1966 8.3967 9.6189 9.6351 10.8405 10.8614 11.2686 11.3231 11.3373 11.3665 11.4927 11.5879 11.8364 11.8671 13.7924 13.8482 14.3250 14.3545 14.3690 14.3713 14.6771 14.6932 k = 0.3355 0.1937 0.5479 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5533 -44.5362 -44.2969 -44.2755 -42.8034 -42.8026 -42.8004 -42.7967 -20.9938 -20.9923 -20.3439 -20.3418 -20.3371 -20.3363 3.2390 3.2465 7.8417 8.0262 8.2298 8.4071 9.5926 9.6086 10.8514 10.8737 11.2638 11.3182 11.3386 11.3601 11.5199 11.6179 11.8509 11.8814 13.8178 13.8734 14.3280 14.3532 14.3652 14.3696 14.6826 14.6972 k = 0.3289 0.1899 0.5372 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5361 -44.2970 -44.2756 -42.8034 -42.8026 -42.8004 -42.7967 -20.9937 -20.9923 -20.3438 -20.3418 -20.3369 -20.3362 3.2247 3.2321 7.8197 7.9793 8.2754 8.4289 9.5674 9.5833 10.8621 10.8858 11.2583 11.3125 11.3377 11.3532 11.5462 11.6459 11.8653 11.8956 13.8423 13.8974 14.3344 14.3500 14.3599 14.3721 14.6902 14.7030 k = 0.3224 0.1861 0.5264 ( 4213 PWs) bands (ev): -78.8413 -78.8413 -44.5531 -44.5360 -44.2970 -44.2757 -42.8034 -42.8026 -42.8004 -42.7968 -20.9936 -20.9922 -20.3437 -20.3417 -20.3368 -20.3361 3.2074 3.2147 7.7969 7.9359 8.3255 8.4596 9.5436 9.5593 10.8726 10.8978 11.2522 11.3061 11.3354 11.3461 11.5712 11.6717 11.8797 11.9098 13.8655 13.9195 14.3438 14.3444 14.3540 14.3805 14.6999 14.7107 k = 0.3158 0.1823 0.5157 ( 4211 PWs) bands (ev): -78.8413 -78.8412 -44.5529 -44.5359 -44.2970 -44.2759 -42.8033 -42.8026 -42.8004 -42.7968 -20.9935 -20.9921 -20.3437 -20.3417 -20.3366 -20.3359 3.1871 3.1942 7.7755 7.8980 8.3783 8.4971 9.5213 9.5369 10.8828 10.9095 11.2461 11.2998 11.3323 11.3394 11.5950 11.6959 11.8948 11.9247 13.8868 13.9393 14.3358 14.3443 14.3621 14.3946 14.7119 14.7201 k = 0.3092 0.1785 0.5049 ( 4211 PWs) bands (ev): -78.8412 -78.8412 -44.5527 -44.5359 -44.2970 -44.2761 -42.8033 -42.8026 -42.8005 -42.7969 -20.9934 -20.9920 -20.3436 -20.3416 -20.3364 -20.3358 3.1636 3.1705 7.7572 7.8665 8.4331 8.5398 9.5006 9.5162 10.8927 10.9210 11.2398 11.2931 11.3280 11.3331 11.6169 11.7177 11.9101 11.9397 13.9059 13.9564 14.3268 14.3362 14.3823 14.4140 14.7260 14.7315 k = 0.3026 0.1747 0.4942 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5525 -44.5358 -44.2970 -44.2763 -42.8033 -42.8026 -42.8004 -42.7969 -20.9933 -20.9919 -20.3435 -20.3416 -20.3362 -20.3356 3.1369 3.1436 7.7432 7.8417 8.4896 8.5866 9.4818 9.4972 10.9017 10.9317 11.2330 11.2866 11.3220 11.3281 11.6373 11.7377 11.9259 11.9552 13.9225 13.9707 14.3171 14.3273 14.4082 14.4388 14.7423 14.7448 k = 0.2961 0.1709 0.4835 ( 4211 PWs) bands (ev): -78.8413 -78.8413 -44.5522 -44.5359 -44.2969 -44.2765 -42.8033 -42.8026 -42.8005 -42.7970 -20.9931 -20.9918 -20.3434 -20.3415 -20.3361 -20.3354 3.1070 3.1135 7.7342 7.8237 8.5474 8.6365 9.4644 9.4797 10.9105 10.9421 11.2262 11.2793 11.3155 11.3227 11.6552 11.7551 11.9416 11.9705 13.9365 13.9820 14.3063 14.3172 14.4388 14.4683 14.7601 14.7609 k = 0.2895 0.1671 0.4727 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5519 -44.5359 -44.2968 -44.2768 -42.8032 -42.8025 -42.8005 -42.7971 -20.9930 -20.9917 -20.3432 -20.3414 -20.3359 -20.3353 3.0741 3.0802 7.7308 7.8127 8.6065 8.6890 9.4488 9.4641 10.9190 10.9521 11.2197 11.2724 11.3090 11.3178 11.6714 11.7707 11.9579 11.9864 13.9483 13.9908 14.2952 14.3067 14.4740 14.5023 14.7773 14.7815 k = 0.2829 0.1633 0.4620 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5516 -44.5359 -44.2967 -44.2772 -42.8032 -42.8025 -42.8005 -42.7972 -20.9929 -20.9916 -20.3431 -20.3414 -20.3357 -20.3351 3.0380 3.0439 7.7333 7.8086 8.6665 8.7435 9.4350 9.4502 10.9267 10.9612 11.2131 11.2651 11.3025 11.3124 11.6858 11.7842 11.9744 12.0024 13.9581 13.9975 14.2833 14.2955 14.5129 14.5398 14.7963 14.8042 k = 0.2763 0.1595 0.4512 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5512 -44.5359 -44.2966 -44.2775 -42.8032 -42.8025 -42.8005 -42.7973 -20.9927 -20.9914 -20.3429 -20.3413 -20.3355 -20.3349 2.9991 3.0046 7.7417 7.8113 8.7275 8.7997 9.4231 9.4382 10.9336 10.9694 11.2068 11.2578 11.2962 11.3067 11.6983 11.7958 11.9911 12.0186 13.9663 14.0025 14.2710 14.2838 14.5549 14.5800 14.8172 14.8289 k = 0.2697 0.1557 0.4405 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5508 -44.5359 -44.2964 -44.2779 -42.8031 -42.8025 -42.8006 -42.7974 -20.9926 -20.9913 -20.3428 -20.3412 -20.3353 -20.3348 2.9573 2.9625 7.7563 7.8208 8.7891 8.8572 9.4130 9.4281 10.9401 10.9768 11.2012 11.2502 11.2907 11.3005 11.7094 11.8059 12.0079 12.0349 13.9733 14.0063 14.2580 14.2715 14.5990 14.6223 14.8398 14.8553 k = 0.2632 0.1519 0.4297 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5504 -44.5360 -44.2963 -44.2783 -42.8030 -42.8025 -42.8006 -42.7975 -20.9924 -20.9912 -20.3426 -20.3411 -20.3351 -20.3346 2.9130 2.9178 7.7769 7.8367 8.8511 8.9155 9.4050 9.4200 10.9455 10.9828 11.1957 11.2425 11.2851 11.2937 11.7187 11.8140 12.0250 12.0513 13.9793 14.0091 14.2446 14.2588 14.6441 14.6654 14.8641 14.8833 k = 0.2566 0.1481 0.4190 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5499 -44.5360 -44.2961 -44.2788 -42.8029 -42.8024 -42.8006 -42.7976 -20.9922 -20.9911 -20.3424 -20.3409 -20.3349 -20.3344 2.8663 2.8708 7.8034 7.8590 8.9133 8.9744 9.3992 9.4142 10.9509 10.9882 11.1915 11.2354 11.2807 11.2873 11.7269 11.8211 12.0424 12.0681 13.9848 14.0114 14.2312 14.2460 14.6897 14.7091 14.8900 14.9127 k = 0.2500 0.1443 0.4082 ( 4183 PWs) bands (ev): -78.8405 -78.8405 -44.5493 -44.5359 -44.2959 -44.2792 -42.8028 -42.8023 -42.8005 -42.7976 -20.9921 -20.9910 -20.3422 -20.3408 -20.3347 -20.3343 2.8176 2.8217 7.8356 7.8874 8.9753 9.0334 9.3960 9.4110 10.9554 10.9920 11.1884 11.2293 11.2769 11.2815 11.7346 11.8275 12.0603 12.0854 13.9899 14.0134 14.2180 14.2334 14.7347 14.7522 14.9173 14.9432 k = 0.2434 0.1405 0.3975 ( 4193 PWs) bands (ev): -78.8408 -78.8407 -44.5489 -44.5361 -44.2957 -44.2797 -42.8028 -42.8023 -42.8006 -42.7978 -20.9919 -20.9908 -20.3420 -20.3406 -20.3345 -20.3341 2.7668 2.7706 7.8732 7.9214 9.0365 9.0917 9.3950 9.4101 10.9583 10.9935 11.1848 11.2222 11.2718 11.2748 11.7403 11.8319 12.0777 12.1022 13.9946 14.0151 14.2039 14.2198 14.7774 14.7934 14.9459 14.9743 k = 0.2368 0.1367 0.3868 ( 4193 PWs) bands (ev): -78.8408 -78.8408 -44.5484 -44.5361 -44.2955 -44.2802 -42.8027 -42.8023 -42.8006 -42.7980 -20.9917 -20.9907 -20.3417 -20.3405 -20.3343 -20.3340 2.7145 2.7180 7.9160 7.9609 9.0964 9.1488 9.3971 9.4124 10.9609 10.9938 11.1822 11.2164 11.2650 11.2713 11.7458 11.8360 12.0954 12.1191 13.9992 14.0167 14.1898 14.2064 14.8176 14.8327 14.9758 15.0061 k = 0.2303 0.1329 0.3760 ( 4193 PWs) bands (ev): -78.8408 -78.8408 -44.5479 -44.5362 -44.2953 -44.2807 -42.8026 -42.8022 -42.8007 -42.7981 -20.9915 -20.9906 -20.3415 -20.3403 -20.3341 -20.3338 2.6608 2.6640 7.9638 8.0055 9.1540 9.2033 9.4029 9.4188 10.9629 10.9926 11.1794 11.2124 11.2569 11.2696 11.7510 11.8397 12.1130 12.1359 14.0039 14.0184 14.1756 14.1927 14.8544 14.8692 15.0073 15.0385 k = 0.2237 0.1291 0.3653 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5474 -44.5363 -44.2951 -44.2813 -42.8026 -42.8022 -42.8007 -42.7983 -20.9913 -20.9904 -20.3412 -20.3401 -20.3340 -20.3337 2.6060 2.6088 8.0162 8.0549 9.2076 9.2534 9.4137 9.4307 10.9645 10.9903 11.1751 11.2112 11.2482 11.2688 11.7558 11.8431 12.1305 12.1527 14.0085 14.0202 14.1614 14.1791 14.8866 14.9018 15.0400 15.0713 k = 0.2171 0.1253 0.3545 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5469 -44.5363 -44.2949 -44.2818 -42.8025 -42.8022 -42.8007 -42.7985 -20.9911 -20.9903 -20.3409 -20.3399 -20.3338 -20.3336 2.5503 2.5529 8.0728 8.1086 9.2551 9.2964 9.4314 9.4507 10.9658 10.9869 11.1691 11.2135 11.2394 11.2694 11.7609 11.8467 12.1481 12.1694 14.0131 14.0221 14.1476 14.1659 14.9139 14.9302 15.0740 15.1048 k = 0.2105 0.1215 0.3438 ( 4189 PWs) bands (ev): -78.8406 -78.8406 -44.5463 -44.5363 -44.2947 -44.2824 -42.8024 -42.8021 -42.8007 -42.7986 -20.9909 -20.9901 -20.3406 -20.3396 -20.3337 -20.3334 2.4941 2.4964 8.1334 8.1665 9.2943 9.3302 9.4581 9.4806 10.9670 10.9828 11.1622 11.2192 11.2306 11.2717 11.7669 11.8512 12.1657 12.1862 14.0179 14.0242 14.1343 14.1531 14.9362 14.9537 15.1092 15.1391 k = 0.2039 0.1177 0.3330 ( 4189 PWs) bands (ev): -78.8406 -78.8406 -44.5457 -44.5364 -44.2945 -44.2829 -42.8024 -42.8021 -42.8008 -42.7987 -20.9907 -20.9900 -20.3403 -20.3394 -20.3335 -20.3333 2.4374 2.4395 8.1976 8.2279 9.3245 9.3554 9.4935 9.5190 10.9680 10.9780 11.1538 11.2210 11.2272 11.2753 11.7731 11.8558 12.1829 12.2026 14.0226 14.0263 14.1211 14.1404 14.9533 14.9720 15.1449 15.1740 k = 0.1974 0.1140 0.3223 ( 4195 PWs) bands (ev): -78.8408 -78.8408 -44.5452 -44.5365 -44.2943 -44.2835 -42.8023 -42.8021 -42.8008 -42.7989 -20.9905 -20.9898 -20.3400 -20.3391 -20.3334 -20.3332 2.3807 2.3826 8.2648 8.2925 9.3478 9.3749 9.5353 9.5626 10.9685 10.9725 11.1444 11.2108 11.2376 11.2805 11.7800 11.8612 12.1999 12.2187 14.0272 14.0284 14.1083 14.1281 14.9654 14.9850 15.1807 15.2093 k = 0.1908 0.1102 0.3116 ( 4195 PWs) bands (ev): -78.8408 -78.8408 -44.5446 -44.5365 -44.2941 -44.2840 -42.8023 -42.8020 -42.8009 -42.7991 -20.9903 -20.9897 -20.3396 -20.3389 -20.3333 -20.3331 2.3241 2.3257 8.3350 8.3601 9.3673 9.3918 9.5804 9.6082 10.9671 10.9694 11.1347 11.2003 11.2506 11.2880 11.7883 11.8679 12.2167 12.2346 14.0307 14.0320 14.0962 14.1165 14.9732 14.9935 15.2163 15.2447 k = 0.1842 0.1064 0.3008 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5440 -44.5365 -44.2939 -44.2846 -42.8022 -42.8020 -42.8009 -42.7993 -20.9901 -20.9895 -20.3393 -20.3386 -20.3331 -20.3330 2.2678 2.2692 8.4074 8.4300 9.3849 9.4078 9.6259 9.6534 10.9618 10.9704 11.1242 11.1891 11.2660 11.2979 11.7977 11.8757 12.2332 12.2501 14.0328 14.0365 14.0848 14.1055 14.9772 14.9978 15.2512 15.2797 k = 0.1776 0.1026 0.2901 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5435 -44.5365 -44.2937 -44.2852 -42.8022 -42.8020 -42.8009 -42.7994 -20.9899 -20.9894 -20.3390 -20.3383 -20.3330 -20.3329 2.2120 2.2132 8.4819 8.5020 9.4021 9.4240 9.6703 9.6971 10.9562 10.9709 11.1135 11.1777 11.2844 11.3110 11.8090 11.8854 12.2492 12.2652 14.0349 14.0411 14.0745 14.0955 14.9779 14.9986 15.2849 15.3140 k = 0.1711 0.0988 0.2793 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5429 -44.5365 -44.2936 -44.2857 -42.8021 -42.8020 -42.8010 -42.7996 -20.9897 -20.9892 -20.3386 -20.3380 -20.3329 -20.3328 2.1569 2.1580 8.5580 8.5756 9.4196 9.4407 9.7124 9.7384 10.9505 10.9710 11.1022 11.1657 11.3059 11.3276 11.8221 11.8969 12.2648 12.2799 14.0368 14.0456 14.0655 14.0865 14.9760 14.9966 15.3171 15.3469 k = 0.1645 0.0950 0.2686 ( 4193 PWs) bands (ev): -78.8407 -78.8407 -44.5423 -44.5365 -44.2934 -44.2863 -42.8021 -42.8019 -42.8009 -42.7997 -20.9895 -20.9890 -20.3382 -20.3377 -20.3328 -20.3327 2.1026 2.1036 8.6353 8.6504 9.4378 9.4583 9.7518 9.7767 10.9448 10.9706 11.0908 11.1535 11.3309 11.3484 11.8372 11.9105 12.2800 12.2941 14.0382 14.0499 14.0585 14.0791 14.9720 14.9925 15.3477 15.3784 k = 0.1579 0.0912 0.2578 ( 4185 PWs) bands (ev): -78.8405 -78.8405 -44.5416 -44.5364 -44.2933 -44.2868 -42.8020 -42.8018 -42.8009 -42.7998 -20.9893 -20.9889 -20.3379 -20.3374 -20.3327 -20.3326 2.0495 2.0503 8.7134 8.7260 9.4568 9.4770 9.7876 9.8115 10.9390 10.9694 11.0790 11.1408 11.3594 11.3736 11.8546 11.9263 12.2946 12.3077 14.0381 14.0535 14.0545 14.0738 14.9669 14.9872 15.3760 15.4075 k = 0.1513 0.0874 0.2471 ( 4193 PWs) bands (ev): -78.8407 -78.8407 -44.5412 -44.5364 -44.2932 -44.2873 -42.8020 -42.8019 -42.8010 -42.7999 -20.9891 -20.9887 -20.3375 -20.3371 -20.3327 -20.3326 1.9975 1.9982 8.7917 8.8018 9.4765 9.4963 9.8196 9.8424 10.9324 10.9667 11.0658 11.1268 11.3913 11.4032 11.8736 11.9440 12.3084 12.3206 14.0355 14.0536 14.0550 14.0711 14.9607 14.9806 15.4014 15.4338 k = 0.1447 0.0836 0.2364 ( 4195 PWs) bands (ev): -78.8407 -78.8407 -44.5406 -44.5364 -44.2931 -44.2878 -42.8019 -42.8019 -42.8010 -42.8001 -20.9889 -20.9886 -20.3371 -20.3368 -20.3326 -20.3325 1.9468 1.9475 8.8697 8.8774 9.4975 9.5170 9.8478 9.8697 10.9256 10.9632 11.0526 11.1125 11.4271 11.4376 11.8948 11.9638 12.3217 12.3329 14.0323 14.0542 14.0552 14.0725 14.9540 14.9736 15.4242 15.4574 k = 0.1382 0.0798 0.2256 ( 4187 PWs) bands (ev): -78.8405 -78.8405 -44.5400 -44.5363 -44.2930 -44.2883 -42.8018 -42.8018 -42.8010 -42.8002 -20.9887 -20.9884 -20.3368 -20.3364 -20.3325 -20.3325 1.8977 1.8982 8.9473 8.9526 9.5197 9.5390 9.8724 9.8936 10.9185 10.9585 11.0393 11.0981 11.4669 11.4770 11.9184 11.9861 12.3343 12.3445 14.0301 14.0529 14.0582 14.0767 14.9479 14.9671 15.4440 15.4779 k = 0.1316 0.0760 0.2149 ( 4181 PWs) bands (ev): -78.8403 -78.8403 -44.5395 -44.5362 -44.2929 -44.2888 -42.8018 -42.8018 -42.8010 -42.8002 -20.9885 -20.9883 -20.3364 -20.3361 -20.3325 -20.3324 1.8501 1.8505 9.0238 9.0268 9.5428 9.5618 9.8934 9.9138 10.9111 10.9529 11.0254 11.0830 11.5103 11.5208 11.9439 12.0104 12.3461 12.3554 14.0289 14.0521 14.0619 14.0819 14.9427 14.9615 15.4607 15.4951 k = 0.1250 0.0722 0.2041 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5391 -44.5362 -44.2928 -44.2893 -42.8018 -42.8018 -42.8011 -42.8004 -20.9884 -20.9881 -20.3361 -20.3358 -20.3324 -20.3324 1.8042 1.8046 9.0983 9.0992 9.5668 9.5855 9.9107 9.9305 10.9024 10.9454 11.0101 11.0665 11.5571 11.5687 11.9709 12.0361 12.3571 12.3655 14.0286 14.0519 14.0660 14.0875 14.9380 14.9562 15.4734 15.5081 k = 0.1184 0.0684 0.1934 ( 4183 PWs) bands (ev): -78.8404 -78.8404 -44.5385 -44.5360 -44.2928 -44.2897 -42.8017 -42.8017 -42.8011 -42.8005 -20.9882 -20.9880 -20.3357 -20.3355 -20.3324 -20.3323 1.7601 1.7604 9.1699 9.1712 9.5920 9.6105 9.9252 9.9445 10.8938 10.9374 10.9954 11.0504 11.6073 11.6205 12.0000 12.0639 12.3674 12.3749 14.0307 14.0540 14.0710 14.0940 14.9355 14.9531 15.4830 15.5177 k = 0.1118 0.0646 0.1826 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5382 -44.5360 -44.2927 -44.2901 -42.8017 -42.8017 -42.8012 -42.8006 -20.9880 -20.9878 -20.3354 -20.3352 -20.3323 -20.3323 1.7179 1.7182 9.2380 9.2412 9.6179 9.6361 9.9365 9.9555 10.8842 10.9280 10.9794 11.0331 11.6602 11.6756 12.0302 12.0928 12.3769 12.3834 14.0338 14.0570 14.0766 14.1009 14.9343 14.9512 15.4885 15.5230 k = 0.1053 0.0608 0.1719 ( 4203 PWs) bands (ev): -78.8409 -78.8409 -44.5378 -44.5360 -44.2927 -44.2905 -42.8018 -42.8018 -42.8013 -42.8008 -20.9879 -20.9877 -20.3350 -20.3349 -20.3323 -20.3323 1.6777 1.6780 9.3031 9.3080 9.6445 9.6624 9.9455 9.9642 10.8741 10.9177 10.9629 11.0150 11.7154 11.7332 12.0616 12.1227 12.3855 12.3912 14.0385 14.0614 14.0826 14.1081 14.9354 14.9515 15.4906 15.5245 k = 0.0987 0.0570 0.1612 ( 4203 PWs) bands (ev): -78.8409 -78.8409 -44.5374 -44.5359 -44.2927 -44.2908 -42.8017 -42.8017 -42.8013 -42.8009 -20.9877 -20.9876 -20.3347 -20.3346 -20.3322 -20.3322 1.6396 1.6398 9.3654 9.3717 9.6721 9.6898 9.9525 9.9711 10.8640 10.9070 10.9465 10.9970 11.7729 11.7931 12.0940 12.1535 12.3934 12.3983 14.0453 14.0679 14.0899 14.1163 14.9396 14.9546 15.4895 15.5224 k = 0.0921 0.0532 0.1504 ( 4201 PWs) bands (ev): -78.8408 -78.8408 -44.5371 -44.5358 -44.2927 -44.2912 -42.8017 -42.8017 -42.8013 -42.8010 -20.9875 -20.9874 -20.3344 -20.3343 -20.3322 -20.3322 1.6036 1.6038 9.4240 9.4315 9.7005 9.7179 9.9580 9.9765 10.8538 10.8959 10.9300 10.9788 11.8318 11.8544 12.1268 12.1845 12.4005 12.4046 14.0539 14.0759 14.0980 14.1250 14.9468 14.9605 15.4852 15.5169 k = 0.0855 0.0494 0.1397 ( 4211 PWs) bands (ev): -78.8411 -78.8411 -44.5368 -44.5358 -44.2927 -44.2915 -42.8018 -42.8018 -42.8013 -42.8011 -20.9874 -20.9873 -20.3341 -20.3340 -20.3322 -20.3322 1.5699 1.5700 9.4785 9.4868 9.7290 9.7462 9.9623 9.9806 10.8431 10.8840 10.9127 10.9597 11.8916 11.9163 12.1596 12.2153 12.4069 12.4102 14.0634 14.0848 14.1063 14.1338 14.9566 14.9691 15.4785 15.5083 k = 0.0789 0.0456 0.1289 ( 4207 PWs) bands (ev): -78.8410 -78.8410 -44.5364 -44.5356 -44.2928 -44.2918 -42.8018 -42.8018 -42.8013 -42.8011 -20.9873 -20.9872 -20.3338 -20.3338 -20.3322 -20.3322 1.5384 1.5385 9.5290 9.5376 9.7583 9.7753 9.9658 9.9841 10.8330 10.8724 10.8960 10.9409 11.9517 11.9783 12.1921 12.2455 12.4125 12.4152 14.0749 14.0956 14.1160 14.1434 14.9698 14.9807 15.4697 15.4975 k = 0.0724 0.0418 0.1182 ( 4207 PWs) bands (ev): -78.8410 -78.8410 -44.5362 -44.5355 -44.2928 -44.2920 -42.8018 -42.8018 -42.8013 -42.8012 -20.9872 -20.9871 -20.3336 -20.3335 -20.3322 -20.3321 1.5092 1.5093 9.5749 9.5834 9.7876 9.8045 9.9688 9.9870 10.8230 10.8607 10.8790 10.9217 12.0116 12.0394 12.2239 12.2745 12.4176 12.4196 14.0873 14.1071 14.1263 14.1533 14.9854 14.9947 15.4598 15.4851 k = 0.0658 0.0380 0.1074 ( 4207 PWs) bands (ev): -78.8410 -78.8410 -44.5359 -44.5354 -44.2928 -44.2922 -42.8018 -42.8018 -42.8014 -42.8012 -20.9870 -20.9870 -20.3333 -20.3333 -20.3321 -20.3321 1.4824 1.4825 9.6163 9.6243 9.8170 9.8336 9.9712 9.9895 10.8131 10.8489 10.8624 10.9028 12.0703 12.0989 12.2544 12.3021 12.4220 12.4235 14.1009 14.1197 14.1371 14.1631 15.0035 15.0109 15.4494 15.4721 k = 0.0592 0.0342 0.0967 ( 4211 PWs) bands (ev): -78.8411 -78.8411 -44.5357 -44.5353 -44.2929 -44.2924 -42.8018 -42.8018 -42.8014 -42.8013 -20.9869 -20.9869 -20.3331 -20.3331 -20.3321 -20.3321 1.4580 1.4581 9.6531 9.6601 9.8457 9.8620 9.9735 9.9917 10.8036 10.8372 10.8462 10.8839 12.1272 12.1558 12.2835 12.3278 12.4260 12.4269 14.1151 14.1328 14.1480 14.1727 15.0227 15.0282 15.4404 15.4603 k = 0.0526 0.0304 0.0859 ( 4217 PWs) bands (ev): -78.8413 -78.8413 -44.5355 -44.5353 -44.2929 -44.2926 -42.8018 -42.8018 -42.8015 -42.8014 -20.9869 -20.9868 -20.3329 -20.3329 -20.3321 -20.3321 1.4361 1.4361 9.6852 9.6910 9.8734 9.8892 9.9758 9.9937 10.7943 10.8254 10.8309 10.8656 12.1813 12.2093 12.3107 12.3513 12.4295 12.4299 14.1300 14.1463 14.1586 14.1815 15.0415 15.0451 15.4348 15.4518 k = 0.0461 0.0266 0.0752 ( 4221 PWs) bands (ev): -78.8414 -78.8414 -44.5354 -44.5352 -44.2930 -44.2928 -42.8018 -42.8018 -42.8016 -42.8015 -20.9868 -20.9868 -20.3327 -20.3327 -20.3321 -20.3321 1.4167 1.4167 9.7128 9.7173 9.8996 9.9146 9.9784 9.9958 10.7862 10.8145 10.8167 10.8481 12.2318 12.2582 12.3359 12.3722 12.4326 12.4327 14.1450 14.1598 14.1692 14.1899 15.0581 15.0601 15.4352 15.4493 k = 0.0395 0.0228 0.0645 ( 4229 PWs) bands (ev): -78.8416 -78.8416 -44.5353 -44.5352 -44.2930 -44.2929 -42.8019 -42.8019 -42.8016 -42.8016 -20.9867 -20.9867 -20.3325 -20.3325 -20.3321 -20.3321 1.3998 1.3998 9.7358 9.7390 9.9234 9.9374 9.9816 9.9980 10.7791 10.8037 10.8042 10.8314 12.2777 12.3014 12.3591 12.3905 12.4353 12.4357 14.1595 14.1727 14.1791 14.1973 15.0702 15.0712 15.4439 15.4547 k = 0.0329 0.0190 0.0537 ( 4237 PWs) bands (ev): -78.8418 -78.8418 -44.5352 -44.5352 -44.2931 -44.2930 -42.8019 -42.8019 -42.8017 -42.8016 -20.9866 -20.9866 -20.3324 -20.3324 -20.3321 -20.3321 1.3855 1.3855 9.7547 9.7567 9.9449 9.9574 9.9853 10.0001 10.7729 10.7921 10.7946 10.8159 12.3178 12.3374 12.3809 12.4060 12.4381 12.4385 14.1732 14.1845 14.1880 14.2034 15.0770 15.0775 15.4613 15.4690 k = 0.0263 0.0152 0.0430 ( 4241 PWs) bands (ev): -78.8419 -78.8419 -44.5352 -44.5351 -44.2931 -44.2931 -42.8019 -42.8019 -42.8017 -42.8017 -20.9866 -20.9866 -20.3323 -20.3323 -20.3321 -20.3321 1.3737 1.3737 9.7696 9.7707 9.9634 9.9741 9.9894 10.0020 10.7685 10.7826 10.7864 10.8021 12.3511 12.3645 12.4019 12.4190 12.4411 12.4413 14.1857 14.1950 14.1960 14.2086 15.0789 15.0792 15.4859 15.4910 k = 0.0197 0.0114 0.0322 ( 4265 PWs) bands (ev): -78.8426 -78.8426 -44.5353 -44.5353 -44.2931 -44.2931 -42.8020 -42.8020 -42.8019 -42.8019 -20.9866 -20.9865 -20.3322 -20.3322 -20.3321 -20.3321 1.3645 1.3645 9.7801 9.7807 9.9778 9.9862 9.9929 10.0031 10.7651 10.7744 10.7789 10.7894 12.3760 12.3827 12.4212 12.4300 12.4441 12.4442 14.1957 14.2026 14.2030 14.2120 15.0765 15.0768 15.5131 15.5159 k = 0.0132 0.0076 0.0215 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8020 -42.8020 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3579 1.3579 9.7875 9.7877 9.9892 9.9950 9.9960 10.0032 10.7634 10.7693 10.7729 10.7793 12.3919 12.3940 12.4367 12.4396 12.4467 12.4471 14.2040 14.2078 14.2090 14.2140 15.0734 15.0734 15.5388 15.5404 k = 0.0066 0.0038 0.0107 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3540 1.3540 9.7920 9.7920 9.9970 9.9992 10.0000 10.0028 10.7641 10.7669 10.7690 10.7719 12.3999 12.4002 12.4464 12.4468 12.4487 12.4491 14.2099 14.2115 14.2126 14.2145 15.0711 15.0711 15.5579 15.5585 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3527 1.3527 9.7935 9.7935 10.0011 10.0011 10.0011 10.0011 10.7669 10.7669 10.7669 10.7669 12.4022 12.4022 12.4496 12.4496 12.4496 12.4496 14.2133 14.2133 14.2133 14.2133 15.0702 15.0702 15.5650 15.5650 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3527 1.3527 9.7935 9.7935 10.0011 10.0011 10.0011 10.0011 10.7669 10.7669 10.7669 10.7669 12.4022 12.4022 12.4496 12.4496 12.4496 12.4496 14.2133 14.2133 14.2133 14.2133 15.0702 15.0702 15.5650 15.5650 k = 0.0106 0.0061 0.0043 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8021 -42.8021 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3540 1.3540 9.7920 9.7920 9.9973 9.9996 9.9996 10.0027 10.7640 10.7679 10.7679 10.7720 12.4001 12.4001 12.4465 12.4465 12.4488 12.4493 14.2100 14.2120 14.2120 14.2145 15.0711 15.0711 15.5580 15.5580 k = 0.0213 0.0123 0.0087 ( 4279 PWs) bands (ev): -78.8430 -78.8430 -44.5353 -44.5353 -44.2932 -44.2932 -42.8021 -42.8021 -42.8020 -42.8020 -20.9865 -20.9865 -20.3321 -20.3321 -20.3321 -20.3321 1.3578 1.3578 9.7878 9.7878 9.9914 9.9951 9.9951 10.0020 10.7634 10.7710 10.7710 10.7792 12.3928 12.3928 12.4383 12.4383 12.4469 12.4479 14.2047 14.2083 14.2083 14.2137 15.0732 15.0732 15.5389 15.5389 k = 0.0319 0.0184 0.0130 ( 4264 PWs) bands (ev): -78.8426 -78.8426 -44.5353 -44.5353 -44.2931 -44.2931 -42.8020 -42.8020 -42.8019 -42.8019 -20.9865 -20.9865 -20.3322 -20.3322 -20.3321 -20.3321 1.3643 1.3643 9.7812 9.7812 9.9837 9.9886 9.9886 9.9994 10.7654 10.7763 10.7763 10.7887 12.3776 12.3776 12.4279 12.4279 12.4439 12.4454 14.1977 14.2026 14.2026 14.2111 15.0762 15.0762 15.5140 15.5141 k = 0.0426 0.0246 0.0174 ( 4243 PWs) bands (ev): -78.8420 -78.8420 -44.5352 -44.5352 -44.2931 -44.2931 -42.8020 -42.8020 -42.8017 -42.8017 -20.9866 -20.9866 -20.3323 -20.3323 -20.3321 -20.3321 1.3733 1.3733 9.7716 9.7716 9.9745 9.9787 9.9787 9.9948 10.7702 10.7842 10.7842 10.8008 12.3523 12.3523 12.4180 12.4180 12.4399 12.4419 14.1896 14.1954 14.1954 14.2070 15.0766 15.0766 15.4884 15.4884 k = 0.0532 0.0307 0.0217 ( 4243 PWs) bands (ev): -78.8420 -78.8420 -44.5352 -44.5352 -44.2930 -44.2930 -42.8020 -42.8020 -42.8017 -42.8017 -20.9866 -20.9866 -20.3324 -20.3324 -20.3321 -20.3321 1.3848 1.3848 9.7587 9.7587 9.9631 9.9654 9.9654 9.9877 10.7761 10.7928 10.7928 10.8135 12.3170 12.3170 12.4091 12.4091 12.4348 12.4375 14.1796 14.1860 14.1860 14.2008 15.0715 15.0715 15.4683 15.4683 k = 0.0638 0.0369 0.0261 ( 4237 PWs) bands (ev): -78.8418 -78.8418 -44.5353 -44.5353 -44.2930 -44.2930 -42.8019 -42.8019 -42.8016 -42.8016 -20.9867 -20.9867 -20.3326 -20.3326 -20.3321 -20.3321 1.3989 1.3989 9.7430 9.7430 9.9495 9.9495 9.9506 9.9791 10.7839 10.8031 10.8031 10.8278 12.2732 12.2732 12.4005 12.4005 12.4287 12.4322 14.1686 14.1755 14.1755 14.1932 15.0594 15.0594 15.4596 15.4596 k = 0.0745 0.0430 0.0304 ( 4231 PWs) bands (ev): -78.8417 -78.8417 -44.5354 -44.5354 -44.2929 -44.2929 -42.8019 -42.8019 -42.8016 -42.8016 -20.9868 -20.9868 -20.3327 -20.3327 -20.3321 -20.3321 1.4155 1.4155 9.7240 9.7240 9.9309 9.9309 9.9365 9.9684 10.7938 10.8150 10.8150 10.8435 12.2225 12.2225 12.3916 12.3916 12.4217 12.4260 14.1571 14.1645 14.1645 14.1849 15.0395 15.0395 15.4636 15.4636 k = 0.0851 0.0491 0.0347 ( 4219 PWs) bands (ev): -78.8413 -78.8413 -44.5354 -44.5354 -44.2928 -44.2928 -42.8018 -42.8018 -42.8015 -42.8015 -20.9868 -20.9868 -20.3329 -20.3329 -20.3321 -20.3321 1.4346 1.4346 9.7018 9.7018 9.9101 9.9101 9.9217 9.9564 10.8052 10.8282 10.8282 10.8603 12.1659 12.1659 12.3822 12.3822 12.4139 12.4192 14.1453 14.1533 14.1533 14.1759 15.0137 15.0137 15.4804 15.4804 k = 0.0957 0.0553 0.0391 ( 4207 PWs) bands (ev): -78.8410 -78.8410 -44.5355 -44.5355 -44.2927 -44.2927 -42.8018 -42.8018 -42.8014 -42.8014 -20.9869 -20.9869 -20.3331 -20.3331 -20.3321 -20.3321 1.4561 1.4561 9.6760 9.6760 9.8875 9.8875 9.9057 9.9428 10.8178 10.8423 10.8423 10.8779 12.1048 12.1048 12.3723 12.3723 12.4053 12.4117 14.1334 14.1420 14.1420 14.1664 14.9849 14.9849 15.5072 15.5072 k = 0.1064 0.0614 0.0434 ( 4207 PWs) bands (ev): -78.8410 -78.8410 -44.5356 -44.5356 -44.2925 -44.2925 -42.8018 -42.8018 -42.8013 -42.8013 -20.9870 -20.9870 -20.3334 -20.3334 -20.3320 -20.3320 1.4800 1.4800 9.6457 9.6457 9.8627 9.8627 9.8887 9.9279 10.8310 10.8568 10.8568 10.8957 12.0403 12.0403 12.3619 12.3619 12.3961 12.4037 14.1214 14.1306 14.1306 14.1565 14.9538 14.9538 15.5417 15.5417 k = 0.1170 0.0676 0.0478 ( 4204 PWs) bands (ev): -78.8409 -78.8409 -44.5358 -44.5358 -44.2924 -44.2924 -42.8018 -42.8018 -42.8012 -42.8012 -20.9871 -20.9871 -20.3336 -20.3336 -20.3320 -20.3320 1.5064 1.5064 9.6108 9.6108 9.8370 9.8370 9.8713 9.9122 10.8450 10.8718 10.8718 10.9138 11.9735 11.9735 12.3512 12.3512 12.3863 12.3953 14.1098 14.1198 14.1198 14.1466 14.9230 14.9230 15.5824 15.5824 k = 0.1277 0.0737 0.0521 ( 4204 PWs) bands (ev): -78.8409 -78.8409 -44.5360 -44.5360 -44.2923 -44.2923 -42.8018 -42.8018 -42.8012 -42.8012 -20.9872 -20.9872 -20.3339 -20.3339 -20.3320 -20.3320 1.5351 1.5351 9.5705 9.5705 9.8104 9.8104 9.8533 9.8954 10.8597 10.8872 10.8872 10.9321 11.9055 11.9055 12.3402 12.3402 12.3762 12.3866 14.0989 14.1097 14.1097 14.1372 14.8932 14.8932 15.6273 15.6273 k = 0.1383 0.0798 0.0565 ( 4192 PWs) bands (ev): -78.8406 -78.8406 -44.5361 -44.5361 -44.2921 -44.2921 -42.8017 -42.8017 -42.8011 -42.8011 -20.9873 -20.9873 -20.3342 -20.3342 -20.3320 -20.3320 1.5661 1.5661 9.5245 9.5245 9.7841 9.7841 9.8355 9.8785 10.8751 10.9031 10.9031 10.9509 11.8375 11.8375 12.3292 12.3292 12.3658 12.3778 14.0891 14.1009 14.1009 14.1286 14.8651 14.8651 15.6763 15.6763 k = 0.1489 0.0860 0.0608 ( 4204 PWs) bands (ev): -78.8409 -78.8409 -44.5364 -44.5364 -44.2920 -44.2920 -42.8017 -42.8017 -42.8012 -42.8012 -20.9875 -20.9875 -20.3345 -20.3345 -20.3320 -20.3320 1.5993 1.5993 9.4720 9.4720 9.7574 9.7574 9.8168 9.8605 10.8898 10.9181 10.9181 10.9686 11.7700 11.7700 12.3182 12.3182 12.3553 12.3689 14.0797 14.0923 14.0923 14.1200 14.8381 14.8381 15.7272 15.7272 k = 0.1596 0.0921 0.0651 ( 4204 PWs) bands (ev): -78.8409 -78.8409 -44.5366 -44.5366 -44.2918 -44.2918 -42.8017 -42.8017 -42.8012 -42.8012 -20.9876 -20.9876 -20.3348 -20.3348 -20.3320 -20.3320 1.6348 1.6348 9.4136 9.4136 9.7315 9.7315 9.7980 9.8421 10.9050 10.9334 10.9334 10.9864 11.7045 11.7045 12.3075 12.3075 12.3448 12.3601 14.0715 14.0851 14.0851 14.1126 14.8139 14.8139 15.7801 15.7801 k = 0.1702 0.0983 0.0695 ( 4198 PWs) bands (ev): -78.8408 -78.8408 -44.5368 -44.5368 -44.2916 -44.2916 -42.8017 -42.8017 -42.8010 -42.8010 -20.9877 -20.9877 -20.3351 -20.3351 -20.3320 -20.3320 1.6724 1.6724 9.3492 9.3492 9.7063 9.7063 9.7793 9.8235 10.9201 10.9483 10.9483 11.0038 11.6418 11.6418 12.2972 12.2972 12.3345 12.3515 14.0646 14.0790 14.0790 14.1060 14.7925 14.7925 15.8344 15.8344 k = 0.1809 0.1044 0.0738 ( 4203 PWs) bands (ev): -78.8409 -78.8409 -44.5371 -44.5371 -44.2915 -44.2915 -42.8018 -42.8017 -42.8010 -42.8010 -20.9879 -20.9879 -20.3355 -20.3355 -20.3320 -20.3320 1.7120 1.7120 9.2783 9.2783 9.6816 9.6816 9.7605 9.8046 10.9345 10.9622 10.9622 11.0201 11.5819 11.5819 12.2874 12.2874 12.3244 12.3432 14.0587 14.0740 14.0740 14.1004 14.7719 14.7719 15.8894 15.8894 k = 0.1915 0.1106 0.0782 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5373 -44.5373 -44.2913 -44.2913 -42.8017 -42.8017 -42.8009 -42.8009 -20.9880 -20.9880 -20.3358 -20.3358 -20.3320 -20.3320 1.7537 1.7537 9.2020 9.2020 9.6578 9.6578 9.7420 9.7858 10.9492 10.9761 10.9761 11.0363 11.5260 11.5260 12.2783 12.2783 12.3150 12.3355 14.0544 14.0704 14.0704 14.0961 14.7538 14.7538 15.9455 15.9455 k = 0.2021 0.1167 0.0825 ( 4197 PWs) bands (ev): -78.8408 -78.8408 -44.5376 -44.5376 -44.2911 -44.2911 -42.8018 -42.8018 -42.8008 -42.8008 -20.9882 -20.9882 -20.3362 -20.3362 -20.3319 -20.3319 1.7972 1.7972 9.1198 9.1198 9.6345 9.6345 9.7235 9.7669 10.9625 10.9882 10.9882 11.0508 11.4737 11.4737 12.2701 12.2701 12.3061 12.3282 14.0509 14.0676 14.0676 14.0925 14.7360 14.7360 16.0014 16.0014 k = 0.2128 0.1228 0.0869 ( 4197 PWs) bands (ev): -78.8408 -78.8408 -44.5379 -44.5379 -44.2909 -44.2909 -42.8018 -42.8018 -42.8008 -42.8008 -20.9883 -20.9883 -20.3366 -20.3366 -20.3319 -20.3319 1.8426 1.8426 9.0326 9.0326 9.6120 9.6120 9.7054 9.7482 10.9756 10.9998 10.9998 11.0647 11.4253 11.4253 12.2628 12.2628 12.2980 12.3216 14.0490 14.0662 14.0662 14.0903 14.7191 14.7191 16.0575 16.0575 k = 0.2234 0.1290 0.0912 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5381 -44.5381 -44.2907 -44.2907 -42.8017 -42.8017 -42.8007 -42.8007 -20.9885 -20.9885 -20.3369 -20.3369 -20.3319 -20.3319 1.8897 1.8897 8.9412 8.9412 9.5904 9.5904 9.6878 9.7299 10.9876 11.0099 11.0099 11.0772 11.3819 11.3819 12.2566 12.2566 12.2907 12.3158 14.0484 14.0660 14.0660 14.0892 14.7037 14.7037 16.1133 16.1133 k = 0.2340 0.1351 0.0955 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5384 -44.5384 -44.2905 -44.2905 -42.8018 -42.8018 -42.8007 -42.8007 -20.9886 -20.9886 -20.3373 -20.3373 -20.3319 -20.3319 1.9384 1.9384 8.8458 8.8458 9.5692 9.5692 9.6703 9.7116 10.9989 11.0189 11.0189 11.0886 11.3424 11.3424 12.2515 12.2515 12.2844 12.3107 14.0489 14.0668 14.0668 14.0892 14.6886 14.6886 16.1684 16.1684 k = 0.2447 0.1413 0.0999 ( 4191 PWs) bands (ev): -78.8406 -78.8406 -44.5387 -44.5387 -44.2903 -44.2903 -42.8018 -42.8018 -42.8006 -42.8006 -20.9888 -20.9888 -20.3377 -20.3377 -20.3319 -20.3319 1.9886 1.9886 8.7470 8.7470 9.5486 9.5486 9.6533 9.6936 11.0093 11.0265 11.0265 11.0987 11.3071 11.3071 12.2476 12.2476 12.2792 12.3065 14.0507 14.0687 14.0687 14.0903 14.6739 14.6739 16.2226 16.2226 k = 0.2553 0.1474 0.1042 ( 4197 PWs) bands (ev): -78.8408 -78.8408 -44.5390 -44.5390 -44.2901 -44.2901 -42.8018 -42.8018 -42.8006 -42.8006 -20.9890 -20.9890 -20.3381 -20.3381 -20.3319 -20.3319 2.0402 2.0402 8.6456 8.6456 9.5286 9.5286 9.6366 9.6759 11.0185 11.0322 11.0322 11.1071 11.2757 11.2757 12.2449 12.2449 12.2750 12.3031 14.0536 14.0716 14.0716 14.0924 14.6592 14.6592 16.2757 16.2757 k = 0.2660 0.1536 0.1086 ( 4203 PWs) bands (ev): -78.8410 -78.8410 -44.5393 -44.5393 -44.2899 -44.2899 -42.8019 -42.8019 -42.8006 -42.8006 -20.9891 -20.9891 -20.3385 -20.3385 -20.3319 -20.3319 2.0929 2.0929 8.5423 8.5423 9.5093 9.5093 9.6204 9.6586 11.0266 11.0365 11.0365 11.1142 11.2484 11.2484 12.2432 12.2432 12.2718 12.3005 14.0576 14.0753 14.0753 14.0955 14.6450 14.6450 16.3276 16.3276 k = 0.2766 0.1597 0.1129 ( 4209 PWs) bands (ev): -78.8411 -78.8411 -44.5397 -44.5397 -44.2898 -44.2898 -42.8019 -42.8019 -42.8006 -42.8006 -20.9893 -20.9893 -20.3389 -20.3389 -20.3319 -20.3319 2.1467 2.1467 8.4374 8.4374 9.4907 9.4907 9.6049 9.6418 11.0340 11.0392 11.0392 11.1201 11.2246 11.2246 12.2429 12.2429 12.2699 12.2989 14.0628 14.0802 14.0802 14.0997 14.6302 14.6302 16.3781 16.3781 k = 0.2872 0.1658 0.1173 ( 4215 PWs) bands (ev): -78.8413 -78.8413 -44.5400 -44.5400 -44.2896 -44.2896 -42.8019 -42.8019 -42.8006 -42.8006 -20.9894 -20.9894 -20.3392 -20.3392 -20.3318 -20.3318 2.2014 2.2014 8.3318 8.3318 9.4728 9.4728 9.5898 9.6254 11.0403 11.0403 11.0403 11.1245 11.2049 11.2049 12.2435 12.2435 12.2689 12.2980 14.0689 14.0858 14.0858 14.1047 14.6160 14.6160 16.4269 16.4269 k = 0.2979 0.1720 0.1216 ( 4218 PWs) bands (ev): -78.8414 -78.8414 -44.5403 -44.5403 -44.2894 -44.2894 -42.8020 -42.8019 -42.8005 -42.8005 -20.9896 -20.9896 -20.3396 -20.3396 -20.3318 -20.3318 2.2568 2.2568 8.2260 8.2260 9.4556 9.4556 9.5755 9.6097 11.0400 11.0400 11.0457 11.1277 11.1885 11.1885 12.2452 12.2452 12.2689 12.2979 14.0760 14.0924 14.0924 14.1107 14.6015 14.6015 16.4740 16.4740 k = 0.3085 0.1781 0.1259 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5405 -44.5405 -44.2892 -44.2892 -42.8019 -42.8019 -42.8004 -42.8004 -20.9897 -20.9897 -20.3400 -20.3400 -20.3318 -20.3318 2.3126 2.3126 8.1206 8.1206 9.4394 9.4394 9.5620 9.5948 11.0391 11.0391 11.0512 11.1305 11.1752 11.1752 12.2482 12.2482 12.2703 12.2989 14.0845 14.1000 14.1000 14.1179 14.5867 14.5867 16.5191 16.5191 k = 0.3191 0.1843 0.1303 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5407 -44.5407 -44.2890 -44.2890 -42.8019 -42.8019 -42.8004 -42.8004 -20.9899 -20.9899 -20.3403 -20.3403 -20.3318 -20.3318 2.3687 2.3687 8.0163 8.0163 9.4237 9.4237 9.5489 9.5802 11.0366 11.0366 11.0552 11.1316 11.1648 11.1648 12.2518 12.2518 12.2723 12.3003 14.0933 14.1080 14.1080 14.1255 14.5722 14.5722 16.5613 16.5613 k = 0.3298 0.1904 0.1346 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5409 -44.5409 -44.2889 -44.2889 -42.8019 -42.8019 -42.8003 -42.8003 -20.9900 -20.9900 -20.3407 -20.3407 -20.3318 -20.3318 2.4248 2.4248 7.9133 7.9133 9.4088 9.4088 9.5366 9.5663 11.0334 11.0334 11.0585 11.1317 11.1564 11.1564 12.2562 12.2562 12.2752 12.3023 14.1028 14.1165 14.1165 14.1336 14.5571 14.5571 16.5956 16.5956 k = 0.3404 0.1965 0.1390 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5412 -44.5412 -44.2887 -44.2887 -42.8019 -42.8019 -42.8003 -42.8003 -20.9902 -20.9902 -20.3410 -20.3410 -20.3318 -20.3318 2.4805 2.4805 7.8125 7.8125 9.3947 9.3947 9.5249 9.5530 11.0297 11.0297 11.0612 11.1308 11.1497 11.1497 12.2612 12.2612 12.2788 12.3049 14.1129 14.1254 14.1254 14.1422 14.5417 14.5417 16.5592 16.5592 k = 0.3511 0.2027 0.1433 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5414 -44.5414 -44.2885 -44.2885 -42.8020 -42.8019 -42.8002 -42.8002 -20.9903 -20.9903 -20.3413 -20.3413 -20.3318 -20.3318 2.5356 2.5356 7.7142 7.7142 9.3814 9.3814 9.5140 9.5404 11.0258 11.0258 11.0632 11.1291 11.1444 11.1444 12.2666 12.2666 12.2829 12.3078 14.1234 14.1346 14.1346 14.1511 14.5262 14.5262 16.4949 16.4949 k = 0.3617 0.2088 0.1477 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5416 -44.5416 -44.2884 -44.2884 -42.8020 -42.8020 -42.8002 -42.8002 -20.9904 -20.9904 -20.3416 -20.3416 -20.3318 -20.3318 2.5897 2.5897 7.6191 7.6191 9.3690 9.3690 9.5038 9.5285 11.0218 11.0218 11.0648 11.1267 11.1400 11.1400 12.2724 12.2724 12.2874 12.3109 14.1341 14.1440 14.1440 14.1603 14.5103 14.5103 16.4334 16.4334 k = 0.3723 0.2150 0.1520 ( 4203 PWs) bands (ev): -78.8410 -78.8410 -44.5418 -44.5418 -44.2882 -44.2882 -42.8020 -42.8020 -42.8001 -42.8001 -20.9906 -20.9906 -20.3419 -20.3419 -20.3317 -20.3317 2.6425 2.6425 7.5278 7.5278 9.3574 9.3574 9.4944 9.5174 11.0184 11.0184 11.0664 11.1241 11.1370 11.1370 12.2784 12.2784 12.2924 12.3144 14.1451 14.1536 14.1536 14.1696 14.4949 14.4949 16.3763 16.3763 k = 0.3830 0.2211 0.1564 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5420 -44.5420 -44.2881 -44.2881 -42.8020 -42.8020 -42.8001 -42.8001 -20.9907 -20.9907 -20.3421 -20.3421 -20.3317 -20.3317 2.6935 2.6935 7.4407 7.4407 9.3466 9.3466 9.4857 9.5069 11.0148 11.0148 11.0671 11.1205 11.1343 11.1343 12.2841 12.2841 12.2971 12.3176 14.1560 14.1630 14.1630 14.1787 14.4795 14.4795 16.3237 16.3237 k = 0.3936 0.2273 0.1607 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5422 -44.5422 -44.2880 -44.2880 -42.8020 -42.8020 -42.8000 -42.8000 -20.9908 -20.9908 -20.3424 -20.3424 -20.3317 -20.3317 2.7424 2.7424 7.3585 7.3585 9.3367 9.3367 9.4779 9.4973 11.0116 11.0116 11.0679 11.1168 11.1323 11.1323 12.2900 12.2900 12.3021 12.3210 14.1667 14.1722 14.1722 14.1877 14.4644 14.4644 16.2758 16.2758 k = 0.4043 0.2334 0.1650 ( 4203 PWs) bands (ev): -78.8410 -78.8410 -44.5423 -44.5423 -44.2879 -44.2879 -42.8020 -42.8020 -42.8000 -42.8000 -20.9909 -20.9909 -20.3426 -20.3426 -20.3317 -20.3317 2.7887 2.7887 7.2818 7.2818 9.3279 9.3279 9.4710 9.4885 11.0091 11.0091 11.0689 11.1132 11.1309 11.1309 12.2959 12.2959 12.3073 12.3244 14.1774 14.1813 14.1813 14.1965 14.4499 14.4499 16.2326 16.2326 k = 0.4149 0.2395 0.1694 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5424 -44.5424 -44.2878 -44.2878 -42.8019 -42.8019 -42.7999 -42.7999 -20.9909 -20.9909 -20.3428 -20.3428 -20.3317 -20.3317 2.8319 2.8319 7.2111 7.2111 9.3199 9.3199 9.4649 9.4806 11.0068 11.0068 11.0699 11.1094 11.1300 11.1300 12.3015 12.3015 12.3123 12.3276 14.1875 14.1898 14.1898 14.2047 14.4362 14.4362 16.1942 16.1942 k = 0.4255 0.2457 0.1737 ( 4197 PWs) bands (ev): -78.8408 -78.8408 -44.5425 -44.5425 -44.2877 -44.2877 -42.8019 -42.8019 -42.7999 -42.7999 -20.9910 -20.9910 -20.3430 -20.3430 -20.3317 -20.3317 2.8716 2.8716 7.1469 7.1469 9.3128 9.3128 9.4596 9.4733 11.0046 11.0046 11.0706 11.1053 11.1292 11.1292 12.3065 12.3065 12.3170 12.3305 14.1969 14.1976 14.1976 14.2121 14.4234 14.4234 16.1605 16.1605 k = 0.4362 0.2518 0.1781 ( 4203 PWs) bands (ev): -78.8410 -78.8410 -44.5427 -44.5427 -44.2876 -44.2876 -42.8020 -42.8020 -42.7999 -42.7999 -20.9911 -20.9911 -20.3432 -20.3432 -20.3317 -20.3317 2.9071 2.9071 7.0899 7.0899 9.3066 9.3066 9.4550 9.4668 11.0023 11.0023 11.0712 11.1011 11.1282 11.1282 12.3110 12.3110 12.3213 12.3329 14.2046 14.2046 14.2056 14.2187 14.4115 14.4115 16.1312 16.1312 k = 0.4468 0.2580 0.1824 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5427 -44.5427 -44.2875 -44.2875 -42.8019 -42.8019 -42.7998 -42.7998 -20.9912 -20.9912 -20.3433 -20.3433 -20.3317 -20.3317 2.9382 2.9382 7.0407 7.0407 9.3014 9.3014 9.4514 9.4612 11.0011 11.0011 11.0727 11.0977 11.1281 11.1281 12.3154 12.3154 12.3257 12.3353 14.2108 14.2108 14.2134 14.2244 14.4014 14.4014 16.1069 16.1069 k = 0.4574 0.2641 0.1868 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5428 -44.5428 -44.2875 -44.2875 -42.8019 -42.8019 -42.7998 -42.7998 -20.9912 -20.9912 -20.3434 -20.3434 -20.3317 -20.3317 2.9644 2.9644 6.9996 6.9996 9.2970 9.2970 9.4485 9.4564 10.9998 10.9998 11.0739 11.0939 11.1279 11.1279 12.3187 12.3187 12.3292 12.3369 14.2159 14.2159 14.2201 14.2290 14.3928 14.3928 16.0870 16.0870 k = 0.4681 0.2702 0.1911 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5429 -44.5429 -44.2874 -44.2874 -42.8019 -42.8019 -42.7998 -42.7998 -20.9912 -20.9912 -20.3435 -20.3435 -20.3317 -20.3317 2.9851 2.9851 6.9671 6.9671 9.2937 9.2937 9.4465 9.4525 10.9984 10.9984 11.0750 11.0900 11.1276 11.1276 12.3213 12.3213 12.3320 12.3378 14.2200 14.2200 14.2257 14.2324 14.3859 14.3859 16.0715 16.0715 k = 0.4787 0.2764 0.1954 ( 4188 PWs) bands (ev): -78.8406 -78.8406 -44.5428 -44.5428 -44.2874 -44.2874 -42.8018 -42.8018 -42.7998 -42.7998 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0002 3.0002 6.9437 6.9437 9.2915 9.2915 9.4457 9.4496 10.9980 10.9980 11.0768 11.0869 11.1280 11.1280 12.3239 12.3239 12.3351 12.3390 14.2231 14.2231 14.2302 14.2346 14.3811 14.3811 16.0606 16.0606 k = 0.4894 0.2825 0.1998 ( 4182 PWs) bands (ev): -78.8404 -78.8404 -44.5428 -44.5428 -44.2874 -44.2874 -42.8018 -42.8018 -42.7997 -42.7997 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0094 3.0094 6.9295 6.9295 9.2901 9.2901 9.4455 9.4475 10.9978 10.9978 11.0791 11.0841 11.1282 11.1282 12.3254 12.3254 12.3373 12.3392 14.2249 14.2249 14.2334 14.2356 14.3781 14.3781 16.0540 16.0540 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -78.8399 -78.8399 -44.5427 -44.5427 -44.2874 -44.2874 -42.8017 -42.8017 -42.7996 -42.7996 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0125 3.0125 6.9248 6.9248 9.2897 9.2897 9.4462 9.4462 10.9986 10.9986 11.0824 11.0824 11.1291 11.1291 12.3263 12.3263 12.3391 12.3391 14.2256 14.2256 14.2353 14.2353 14.3774 14.3774 16.0525 16.0525 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -78.8399 -78.8399 -44.5427 -44.5427 -44.2874 -44.2874 -42.8017 -42.8017 -42.7996 -42.7996 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0125 3.0125 6.9248 6.9248 9.2897 9.2897 9.4462 9.4462 10.9986 10.9986 11.0824 11.0824 11.1291 11.1291 12.3263 12.3263 12.3391 12.3391 14.2256 14.2256 14.2353 14.2353 14.3774 14.3774 16.0525 16.0525 k = 0.5038 0.2777 0.2103 ( 4178 PWs) bands (ev): -78.8403 -78.8403 -44.5433 -44.5423 -44.2880 -44.2868 -42.8019 -42.8018 -42.7997 -42.7995 -20.9913 -20.9912 -20.3436 -20.3436 -20.3317 -20.3317 3.0128 3.0132 6.9254 6.9271 9.2878 9.2899 9.4453 9.4453 10.9973 10.9994 11.0823 11.0823 11.1273 11.1300 12.3228 12.3255 12.3370 12.3371 14.2236 14.2258 14.2344 14.2346 14.3770 14.3772 16.0517 16.0538 k = 0.5076 0.2668 0.2165 ( 4188 PWs) bands (ev): -78.8406 -78.8406 -44.5438 -44.5419 -44.2886 -44.2862 -42.8019 -42.8019 -42.7999 -42.7994 -20.9914 -20.9912 -20.3437 -20.3435 -20.3317 -20.3317 3.0140 3.0148 6.9288 6.9323 9.2846 9.2888 9.4435 9.4435 10.9964 11.0007 11.0830 11.0831 11.1257 11.1310 12.3165 12.3223 12.3324 12.3329 14.2191 14.2242 14.2328 14.2339 14.3765 14.3769 16.0513 16.0555 k = 0.5114 0.2559 0.2227 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5444 -44.5415 -44.2891 -44.2856 -42.8020 -42.8019 -42.8001 -42.7994 -20.9914 -20.9912 -20.3437 -20.3435 -20.3318 -20.3318 3.0162 3.0173 6.9351 6.9404 9.2799 9.2862 9.4411 9.4412 10.9959 11.0024 11.0846 11.0849 11.1240 11.1320 12.3073 12.3166 12.3257 12.3270 14.2114 14.2194 14.2318 14.2338 14.3755 14.3761 16.0497 16.0559 k = 0.5152 0.2449 0.2289 ( 4193 PWs) bands (ev): -78.8407 -78.8407 -44.5449 -44.5411 -44.2897 -44.2850 -42.8020 -42.8020 -42.8001 -42.7992 -20.9915 -20.9912 -20.3437 -20.3434 -20.3319 -20.3319 3.0193 3.0207 6.9442 6.9513 9.2731 9.2817 9.4383 9.4384 10.9961 11.0048 11.0871 11.0878 11.1229 11.1334 12.2948 12.3073 12.3176 12.3196 14.2010 14.2114 14.2320 14.2343 14.3744 14.3752 16.0456 16.0534 k = 0.5189 0.2340 0.2351 ( 4201 PWs) bands (ev): -78.8409 -78.8409 -44.5454 -44.5407 -44.2903 -44.2844 -42.8021 -42.8020 -42.8002 -42.7991 -20.9916 -20.9912 -20.3437 -20.3434 -20.3320 -20.3320 3.0233 3.0251 6.9562 6.9651 9.2637 9.2744 9.4356 9.4357 10.9960 11.0073 11.0897 11.0912 11.1218 11.1347 12.2785 12.2939 12.3081 12.3101 14.1878 14.2006 14.2327 14.2352 14.3730 14.3738 16.0359 16.0447 k = 0.5227 0.2231 0.2412 ( 4210 PWs) bands (ev): -78.8412 -78.8412 -44.5460 -44.5404 -44.2908 -44.2838 -42.8022 -42.8021 -42.8003 -42.7990 -20.9917 -20.9912 -20.3438 -20.3433 -20.3321 -20.3321 3.0282 3.0303 6.9709 6.9817 9.2514 9.2641 9.4336 9.4336 10.9961 11.0099 11.0927 11.0953 11.1211 11.1362 12.2590 12.2770 12.2971 12.2989 14.1729 14.1881 14.2336 14.2363 14.3712 14.3720 16.0178 16.0266 k = 0.5265 0.2121 0.2474 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5464 -44.5399 -44.2913 -44.2832 -42.8022 -42.8021 -42.8004 -42.7988 -20.9917 -20.9912 -20.3438 -20.3433 -20.3322 -20.3322 3.0339 3.0364 6.9885 7.0012 9.2358 9.2506 9.4329 9.4332 10.9966 11.0131 11.0961 11.1006 11.1216 11.1383 12.2369 12.2573 12.2853 12.2867 14.1565 14.1743 14.2351 14.2380 14.3692 14.3700 15.9887 15.9962 k = 0.5303 0.2012 0.2536 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5469 -44.5395 -44.2918 -44.2827 -42.8023 -42.8021 -42.8004 -42.7987 -20.9918 -20.9912 -20.3438 -20.3432 -20.3324 -20.3324 3.0405 3.0434 7.0088 7.0235 9.2166 9.2332 9.4336 9.4344 10.9968 11.0162 11.0992 11.1067 11.1233 11.1408 12.2120 12.2348 12.2719 12.2728 14.1387 14.1592 14.2369 14.2399 14.3669 14.3676 15.9475 15.9525 k = 0.5341 0.1903 0.2598 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5474 -44.5392 -44.2923 -44.2821 -42.8024 -42.8022 -42.8004 -42.7985 -20.9919 -20.9912 -20.3438 -20.3431 -20.3326 -20.3325 3.0479 3.0511 7.0318 7.0485 9.1937 9.2120 9.4360 9.4373 10.9967 11.0189 11.1018 11.1135 11.1264 11.1436 12.1843 12.2095 12.2571 12.2575 14.1201 14.1432 14.2390 14.2422 14.3643 14.3650 15.8943 15.8961 k = 0.5379 0.1793 0.2660 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5478 -44.5388 -44.2928 -44.2816 -42.8024 -42.8022 -42.8004 -42.7984 -20.9920 -20.9913 -20.3438 -20.3431 -20.3328 -20.3327 3.0561 3.0596 7.0574 7.0762 9.1673 9.1873 9.4399 9.4420 10.9962 11.0210 11.1041 11.1208 11.1310 11.1469 12.1544 12.1821 12.2405 12.2407 14.1009 14.1268 14.2414 14.2446 14.3615 14.3621 15.8295 15.8310 k = 0.5417 0.1684 0.2722 ( 4196 PWs) bands (ev): -78.8408 -78.8408 -44.5482 -44.5384 -44.2932 -44.2810 -42.8024 -42.8022 -42.8004 -42.7982 -20.9921 -20.9913 -20.3438 -20.3430 -20.3330 -20.3329 3.0650 3.0688 7.0856 7.1066 9.1375 9.1593 9.4454 9.4483 10.9952 11.0225 11.1066 11.1292 11.1375 11.1512 12.1229 12.1530 12.2228 12.2235 14.0811 14.1098 14.2442 14.2475 14.3588 14.3591 15.7556 15.7602 k = 0.5455 0.1575 0.2784 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5487 -44.5381 -44.2936 -44.2805 -42.8025 -42.8022 -42.8004 -42.7981 -20.9922 -20.9914 -20.3438 -20.3429 -20.3332 -20.3331 3.0745 3.0787 7.1163 7.1396 9.1045 9.1280 9.4523 9.4561 10.9933 11.0226 11.1095 11.1379 11.1449 11.1562 12.0891 12.1218 12.2035 12.2049 14.0610 14.0925 14.2472 14.2506 14.3560 14.3560 15.6770 15.6840 k = 0.5492 0.1465 0.2845 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5491 -44.5379 -44.2940 -44.2800 -42.8026 -42.8023 -42.8005 -42.7980 -20.9923 -20.9914 -20.3438 -20.3429 -20.3335 -20.3334 3.0847 3.0891 7.1494 7.1751 9.0686 9.0939 9.4604 9.4651 10.9902 11.0207 11.1132 11.1466 11.1529 11.1620 12.0535 12.0887 12.1829 12.1850 14.0407 14.0750 14.2505 14.2538 14.3528 14.3532 15.5959 15.6046 k = 0.5530 0.1356 0.2907 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5496 -44.5376 -44.2944 -44.2796 -42.8027 -42.8023 -42.8005 -42.7978 -20.9925 -20.9915 -20.3438 -20.3428 -20.3337 -20.3336 3.0954 3.1001 7.1849 7.2132 9.0302 9.0574 9.4696 9.4752 10.9863 11.0176 11.1180 11.1555 11.1618 11.1694 12.0172 12.0548 12.1614 12.1643 14.0203 14.0573 14.2542 14.2574 14.3498 14.3506 15.5142 15.5241 k = 0.5568 0.1247 0.2969 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5500 -44.5374 -44.2947 -44.2791 -42.8028 -42.8023 -42.8005 -42.7977 -20.9926 -20.9915 -20.3438 -20.3427 -20.3340 -20.3338 3.1066 3.1116 7.2226 7.2536 8.9893 9.0186 9.4799 9.4864 10.9813 11.0128 11.1239 11.1642 11.1712 11.1782 11.9793 12.0193 12.1389 12.1427 13.9998 14.0394 14.2582 14.2613 14.3469 14.3483 15.4333 15.4438 k = 0.5606 0.1137 0.3031 ( 4210 PWs) bands (ev): -78.8412 -78.8412 -44.5504 -44.5373 -44.2950 -44.2787 -42.8029 -42.8024 -42.8005 -42.7976 -20.9927 -20.9916 -20.3438 -20.3426 -20.3343 -20.3341 3.1181 3.1235 7.2624 7.2964 8.9463 8.9779 9.4911 9.4985 10.9750 11.0064 11.1308 11.1727 11.1812 11.1885 11.9406 11.9830 12.1155 12.1203 13.9793 14.0214 14.2625 14.2655 14.3441 14.3464 15.3541 15.3647 k = 0.5644 0.1028 0.3093 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5507 -44.5371 -44.2953 -44.2783 -42.8029 -42.8024 -42.8004 -42.7975 -20.9928 -20.9917 -20.3438 -20.3426 -20.3346 -20.3343 3.1301 3.1356 7.3042 7.3414 8.9017 8.9358 9.5033 9.5116 10.9681 10.9988 11.1390 11.1816 11.1919 11.2001 11.9020 11.9467 12.0918 12.0976 13.9591 14.0034 14.2674 14.2701 14.3418 14.3449 15.2779 15.2881 k = 0.5682 0.0919 0.3155 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5511 -44.5369 -44.2955 -44.2779 -42.8030 -42.8024 -42.8004 -42.7974 -20.9929 -20.9917 -20.3438 -20.3425 -20.3348 -20.3346 3.1422 3.1480 7.3478 7.3884 8.8555 8.8925 9.5162 9.5253 10.9599 10.9898 11.1479 11.1906 11.2028 11.2124 11.8633 11.9103 12.0673 12.0744 13.9389 13.9854 14.2724 14.2749 14.3397 14.3439 15.2051 15.2145 k = 0.5720 0.0809 0.3217 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5514 -44.5368 -44.2957 -44.2776 -42.8030 -42.8025 -42.8004 -42.7973 -20.9930 -20.9918 -20.3438 -20.3424 -20.3351 -20.3348 3.1545 3.1605 7.3929 7.4374 8.8081 8.8482 9.5298 9.5397 10.9504 10.9793 11.1572 11.1998 11.2139 11.2253 11.8240 11.8733 12.0427 12.0510 13.9186 13.9670 14.2779 14.2800 14.3378 14.3434 15.1361 15.1443 k = 0.5758 0.0700 0.3278 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5517 -44.5367 -44.2959 -44.2772 -42.8031 -42.8025 -42.8004 -42.7972 -20.9931 -20.9919 -20.3438 -20.3424 -20.3354 -20.3350 3.1669 3.1731 7.4394 7.4881 8.7598 8.8034 9.5441 9.5548 10.9403 10.9681 11.1675 11.2099 11.2256 11.2388 11.7853 11.8367 12.0178 12.0276 13.8986 13.9487 14.2837 14.2855 14.3365 14.3437 15.0715 15.0783 k = 0.5795 0.0590 0.3340 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5520 -44.5366 -44.2961 -44.2770 -42.8031 -42.8025 -42.8004 -42.7971 -20.9933 -20.9920 -20.3438 -20.3423 -20.3357 -20.3353 3.1791 3.1856 7.4869 7.5404 8.7109 8.7586 9.5590 9.5705 10.9290 10.9555 11.1782 11.2201 11.2372 11.2525 11.7468 11.8001 11.9930 12.0043 13.8788 13.9303 14.2899 14.2912 14.3354 14.3444 15.0116 15.0166 k = 0.5833 0.0481 0.3402 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5522 -44.5366 -44.2962 -44.2767 -42.8031 -42.8026 -42.8004 -42.7970 -20.9934 -20.9921 -20.3439 -20.3422 -20.3359 -20.3355 3.1912 3.1978 7.5350 7.5938 8.6620 8.7144 9.5746 9.5867 10.9168 10.9421 11.1888 11.2300 11.2488 11.2665 11.7088 11.7638 11.9683 11.9814 13.8589 13.9116 14.2965 14.2972 14.3347 14.3456 14.9567 14.9595 k = 0.5871 0.0372 0.3464 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5524 -44.5364 -44.2963 -44.2765 -42.8031 -42.8025 -42.8003 -42.7969 -20.9935 -20.9921 -20.3439 -20.3422 -20.3362 -20.3357 3.2030 3.2098 7.5832 7.6481 8.6136 8.6713 9.5908 9.6036 10.9042 10.9284 11.2000 11.2405 11.2608 11.2810 11.6720 11.7286 11.9444 11.9592 13.8396 13.8932 14.3036 14.3037 14.3345 14.3475 14.9071 14.9076 k = 0.5909 0.0262 0.3526 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5526 -44.5364 -44.2964 -44.2763 -42.8032 -42.8026 -42.8003 -42.7968 -20.9936 -20.9922 -20.3439 -20.3422 -20.3364 -20.3359 3.2144 3.2213 7.6309 7.7027 8.5663 8.6302 9.6072 9.6207 10.8908 10.9139 11.2110 11.2506 11.2722 11.2949 11.6357 11.6936 11.9205 11.9373 13.8203 13.8745 14.3100 14.3108 14.3345 14.3498 14.8607 14.8627 k = 0.5947 0.0153 0.3588 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5528 -44.5365 -44.2964 -44.2761 -42.8032 -42.8026 -42.8003 -42.7968 -20.9937 -20.9923 -20.3439 -20.3421 -20.3366 -20.3361 3.2252 3.2322 7.6772 7.7568 8.5210 8.5919 9.6241 9.6382 10.8771 10.8990 11.2219 11.2602 11.2832 11.3087 11.6004 11.6592 11.8975 11.9163 13.8013 13.8560 14.3163 14.3182 14.3351 14.3525 14.8189 14.8236 k = 0.5985 0.0044 0.3649 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5529 -44.5365 -44.2964 -44.2760 -42.8032 -42.8026 -42.8003 -42.7967 -20.9937 -20.9924 -20.3440 -20.3421 -20.3369 -20.3362 3.2353 3.2424 7.7210 7.8093 8.4789 8.5578 9.6415 9.6562 10.8636 10.8844 11.2329 11.2696 11.2941 11.3224 11.5662 11.6253 11.8760 11.8969 13.7825 13.8375 14.3223 14.3260 14.3365 14.3556 14.7826 14.7900 k = 0.6023-0.0066 0.3711 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5530 -44.5365 -44.2964 -44.2759 -42.8032 -42.8026 -42.8003 -42.7967 -20.9938 -20.9925 -20.3440 -20.3421 -20.3370 -20.3364 3.2445 3.2517 7.7610 7.8585 8.4420 8.5293 9.6590 9.6742 10.8503 10.8699 11.2436 11.2782 11.3040 11.3352 11.5335 11.5923 11.8549 11.8779 13.7642 13.8192 14.3271 14.3335 14.3389 14.3589 14.7517 14.7617 k = 0.6061-0.0175 0.3773 ( 4202 PWs) bands (ev): -78.8410 -78.8410 -44.5531 -44.5366 -44.2964 -44.2758 -42.8032 -42.8026 -42.8003 -42.7967 -20.9939 -20.9925 -20.3440 -20.3421 -20.3372 -20.3365 3.2527 3.2599 7.7954 7.9019 8.4129 8.5083 9.6768 9.6925 10.8372 10.8558 11.2536 11.2851 11.3132 11.3473 11.5025 11.5601 11.8356 11.8607 13.7464 13.8013 14.3306 14.3409 14.3427 14.3624 14.7263 14.7384 k = 0.6098-0.0284 0.3835 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5367 -44.2963 -44.2758 -42.8033 -42.8027 -42.8003 -42.7967 -20.9940 -20.9926 -20.3441 -20.3422 -20.3373 -20.3366 3.2598 3.2670 7.8225 7.9358 8.3953 8.4967 9.6949 9.7111 10.8246 10.8422 11.2628 11.2896 11.3215 11.3587 11.4740 11.5290 11.8181 11.8451 13.7292 13.7838 14.3332 14.3469 14.3476 14.3660 14.7060 14.7199 k = 0.6136-0.0394 0.3897 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5369 -44.2962 -44.2758 -42.8033 -42.8027 -42.8003 -42.7967 -20.9940 -20.9927 -20.3441 -20.3422 -20.3374 -20.3367 3.2655 3.2727 7.8409 7.9564 8.3931 8.4961 9.7131 9.7297 10.8132 10.8299 11.2711 11.2909 11.3287 11.3692 11.4490 11.4994 11.8024 11.8311 13.7128 13.7670 14.3355 14.3501 14.3531 14.3696 14.6913 14.7054 k = 0.6174-0.0503 0.3959 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5370 -44.2961 -44.2758 -42.8033 -42.8027 -42.8003 -42.7968 -20.9941 -20.9927 -20.3441 -20.3422 -20.3375 -20.3368 3.2697 3.2769 7.8496 7.9618 8.4086 8.5073 9.7314 9.7483 10.8034 10.8192 11.2778 11.2874 11.3347 11.3789 11.4282 11.4716 11.7889 11.8190 13.6971 13.7508 14.3380 14.3509 14.3564 14.3730 14.6802 14.6892 k = 0.6212-0.0612 0.4021 ( 4207 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5371 -44.2959 -44.2759 -42.8032 -42.8027 -42.8003 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3375 -20.3369 3.2723 3.2794 7.8493 7.9533 8.4404 8.5301 9.7498 9.7670 10.7950 10.8100 11.2781 11.2824 11.3391 11.3874 11.4136 11.4469 11.7777 11.8088 13.6825 13.7357 14.3404 14.3480 14.3556 14.3762 14.6389 14.6548 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5983 14.6187 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5983 14.6187 k = 0.6184-0.0684 0.4190 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5531 -44.5372 -44.2958 -44.2759 -42.8032 -42.8026 -42.8002 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2734 3.2803 7.8422 7.9358 8.4852 8.5635 9.7655 9.7834 10.7883 10.8033 11.2616 11.2834 11.3408 11.3915 11.4062 11.4233 11.7735 11.8034 13.6701 13.7226 14.3333 14.3426 14.3500 14.3791 14.5958 14.6163 k = 0.6118-0.0646 0.4297 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5531 -44.5371 -44.2958 -44.2759 -42.8032 -42.8026 -42.8002 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3376 -20.3369 3.2742 3.2812 7.8455 7.9391 8.4861 8.5643 9.7573 9.7764 10.7866 10.8039 11.2585 11.2830 11.3397 11.3910 11.4022 11.4145 11.7861 11.8123 13.6737 13.7263 14.3287 14.3360 14.3502 14.3772 14.5881 14.6092 k = 0.6053-0.0608 0.4405 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5532 -44.5371 -44.2959 -44.2758 -42.8032 -42.8026 -42.8003 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3376 -20.3370 3.2754 3.2825 7.8507 7.9446 8.4875 8.5657 9.7438 9.7646 10.7839 10.8043 11.2531 11.2820 11.3376 11.3885 11.3941 11.4049 11.8046 11.8261 13.6796 13.7322 14.3212 14.3274 14.3478 14.3736 14.5762 14.5986 k = 0.5987-0.0570 0.4512 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5533 -44.5371 -44.2960 -44.2758 -42.8032 -42.8027 -42.8003 -42.7967 -20.9942 -20.9928 -20.3442 -20.3423 -20.3376 -20.3370 3.2772 3.2843 7.8580 7.9521 8.4892 8.5675 9.7253 9.7481 10.7808 10.8046 11.2458 11.2803 11.3340 11.3751 11.3898 11.3984 11.8264 11.8446 13.6877 13.7405 14.3113 14.3169 14.3426 14.3679 14.5612 14.5854 k = 0.5921-0.0532 0.4620 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5533 -44.5370 -44.2960 -44.2757 -42.8032 -42.8027 -42.8003 -42.7966 -20.9942 -20.9928 -20.3441 -20.3423 -20.3377 -20.3371 3.2795 3.2866 7.8674 7.9619 8.4913 8.5696 9.7024 9.7271 10.7774 10.8048 11.2374 11.2781 11.3286 11.3580 11.3875 11.3940 11.8493 11.8672 13.6983 13.7512 14.2994 14.3048 14.3346 14.3598 14.5445 14.5709 k = 0.5855-0.0494 0.4727 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5535 -44.5369 -44.2962 -44.2756 -42.8032 -42.8027 -42.8004 -42.7966 -20.9942 -20.9928 -20.3441 -20.3422 -20.3377 -20.3371 3.2821 3.2893 7.8787 7.9738 8.4933 8.5718 9.6754 9.7019 10.7738 10.8045 11.2282 11.2754 11.3195 11.3434 11.3842 11.3912 11.8719 11.8926 13.7111 13.7640 14.2857 14.2912 14.3235 14.3492 14.5274 14.5561 k = 0.5789-0.0456 0.4835 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5536 -44.5368 -44.2963 -44.2754 -42.8032 -42.8027 -42.8004 -42.7966 -20.9942 -20.9928 -20.3441 -20.3422 -20.3378 -20.3372 3.2852 3.2924 7.8920 7.9878 8.4950 8.5739 9.6451 9.6731 10.7704 10.8041 11.2189 11.2720 11.3059 11.3337 11.3809 11.3896 11.8940 11.9193 13.7263 13.7791 14.2706 14.2762 14.3097 14.3362 14.5107 14.5416 k = 0.5724-0.0418 0.4942 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5536 -44.5367 -44.2964 -44.2753 -42.8032 -42.8027 -42.8003 -42.7965 -20.9942 -20.9928 -20.3440 -20.3421 -20.3378 -20.3373 3.2885 3.2958 7.9070 8.0040 8.4961 8.5756 9.6122 9.6412 10.7673 10.8036 11.2101 11.2682 11.2911 11.3266 11.3780 11.3887 11.9156 11.9460 13.7437 13.7962 14.2545 14.2602 14.2936 14.3212 14.4951 14.5279 k = 0.5658-0.0380 0.5049 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5538 -44.5366 -44.2965 -44.2752 -42.8032 -42.8027 -42.8003 -42.7965 -20.9942 -20.9928 -20.3440 -20.3420 -20.3379 -20.3374 3.2921 3.2995 7.9237 8.0222 8.4961 8.5766 9.5773 9.6070 10.7642 10.8027 11.2021 11.2632 11.2772 11.3201 11.3754 11.3881 11.9360 11.9714 13.7630 13.8152 14.2378 14.2432 14.2759 14.3046 14.4805 14.5149 k = 0.5592-0.0342 0.5157 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5539 -44.5365 -44.2967 -44.2750 -42.8033 -42.8028 -42.8004 -42.7964 -20.9943 -20.9928 -20.3440 -20.3420 -20.3380 -20.3375 3.2958 3.3033 7.9419 8.0426 8.4945 8.5765 9.5415 9.5715 10.7609 10.8013 11.1951 11.2566 11.2661 11.3135 11.3730 11.3873 11.9551 11.9951 13.7842 13.8357 14.2210 14.2257 14.2574 14.2869 14.4669 14.5024 k = 0.5526-0.0304 0.5264 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5540 -44.5364 -44.2968 -44.2749 -42.8033 -42.8027 -42.8004 -42.7964 -20.9943 -20.9928 -20.3440 -20.3419 -20.3381 -20.3376 3.2997 3.3072 7.9614 8.0650 8.4907 8.5751 9.5059 9.5357 10.7587 10.8004 11.1896 11.2485 11.2581 11.3067 11.3713 11.3870 11.9727 12.0168 13.8074 13.8578 14.2045 14.2080 14.2389 14.2685 14.4541 14.4905 k = 0.5461-0.0266 0.5372 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5541 -44.5363 -44.2969 -44.2747 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3418 -20.3381 -20.3377 3.3035 3.3112 7.9818 8.0894 8.4840 8.5718 9.4715 9.5008 10.7563 10.7990 11.1858 11.2410 11.2515 11.2998 11.3698 11.3868 11.9884 12.0361 13.8318 13.8808 14.1875 14.1917 14.2214 14.2498 14.4418 14.4789 k = 0.5395-0.0228 0.5479 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5543 -44.5363 -44.2970 -44.2746 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3417 -20.3382 -20.3378 3.3073 3.3150 8.0029 8.1159 8.4738 8.5665 9.4395 9.4679 10.7540 10.7974 11.1835 11.2353 11.2452 11.2925 11.3687 11.3866 12.0018 12.0527 13.8573 13.9043 14.1689 14.1781 14.2057 14.2312 14.4299 14.4675 k = 0.5329-0.0190 0.5587 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5543 -44.5362 -44.2972 -44.2745 -42.8033 -42.8028 -42.8004 -42.7963 -20.9943 -20.9928 -20.3439 -20.3417 -20.3383 -20.3378 3.3108 3.3186 8.0240 8.1444 8.4595 8.5592 9.4110 9.4383 10.7524 10.7963 11.1831 11.2318 11.2393 11.2855 11.3681 11.3868 12.0135 12.0670 13.8834 13.9278 14.1496 14.1671 14.1925 14.2131 14.4185 14.4565 k = 0.5263-0.0152 0.5694 ( 4199 PWs) bands (ev): -78.8410 -78.8410 -44.5544 -44.5361 -44.2972 -44.2744 -42.8033 -42.8028 -42.8004 -42.7962 -20.9943 -20.9928 -20.3438 -20.3416 -20.3383 -20.3379 3.3140 3.3218 8.0443 8.1749 8.4406 8.5501 9.3869 9.4130 10.7510 10.7951 11.1840 11.2290 11.2340 11.2779 11.3676 11.3870 12.0233 12.0789 13.9092 13.9502 14.1301 14.1588 14.1822 14.1961 14.4078 14.4460 k = 0.5197-0.0114 0.5801 ( 4195 PWs) bands (ev): -78.8409 -78.8409 -44.5544 -44.5360 -44.2973 -44.2743 -42.8033 -42.8027 -42.8004 -42.7962 -20.9944 -20.9928 -20.3438 -20.3416 -20.3384 -20.3380 3.3167 3.3246 8.0629 8.2074 8.4168 8.5399 9.3680 9.3927 10.7499 10.7941 11.1867 11.2244 11.2333 11.2706 11.3675 11.3873 12.0307 12.0879 13.9338 13.9703 14.1111 14.1531 14.1744 14.1815 14.3980 14.4365 k = 0.5132-0.0076 0.5909 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5545 -44.5360 -44.2974 -44.2743 -42.8033 -42.8028 -42.8004 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3188 3.3267 8.0783 8.2419 8.3880 8.5299 9.3545 9.3781 10.7487 10.7930 11.1907 11.2180 11.2361 11.2631 11.3670 11.3871 12.0357 12.0940 13.9552 13.9865 14.0940 14.1499 14.1660 14.1732 14.3897 14.4284 k = 0.5066-0.0038 0.6016 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3202 3.3281 8.0889 8.2782 8.3548 8.5224 9.3467 9.3694 10.7483 10.7927 11.1962 11.2119 11.2413 11.2562 11.3673 11.3875 12.0389 12.0979 13.9708 13.9971 14.0814 14.1483 14.1592 14.1709 14.3840 14.4229 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7961 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3207 3.3286 8.0927 8.3118 8.3220 8.5194 9.3441 9.3665 10.7481 10.7924 11.2001 11.2075 11.2464 11.2503 11.3672 11.3875 12.0399 12.0991 13.9766 14.0007 14.0765 14.1473 14.1574 14.1704 14.3818 14.4208 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7961 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3207 3.3286 8.0927 8.3118 8.3220 8.5194 9.3441 9.3665 10.7481 10.7924 11.2001 11.2075 11.2464 11.2503 11.3672 11.3875 12.0399 12.0991 13.9766 14.0007 14.0765 14.1473 14.1574 14.1704 14.3818 14.4208 k = 0.5000 0.0076 0.6016 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5545 -44.5359 -44.2974 -44.2742 -42.8033 -42.8027 -42.8003 -42.7961 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3201 3.3280 8.0906 8.3087 8.3219 8.5183 9.3465 9.3695 10.7487 10.7930 11.2006 11.2084 11.2471 11.2515 11.3673 11.3874 12.0394 12.0984 13.9767 14.0010 14.0753 14.1447 14.1612 14.1731 14.3851 14.4241 k = 0.5000 0.0152 0.5909 ( 4194 PWs) bands (ev): -78.8409 -78.8409 -44.5545 -44.5359 -44.2974 -44.2742 -42.8034 -42.8027 -42.8003 -42.7962 -20.9944 -20.9928 -20.3438 -20.3415 -20.3384 -20.3380 3.3183 3.3262 8.0840 8.2950 8.3258 8.5156 9.3533 9.3782 10.7502 10.7946 11.2005 11.2118 11.2472 11.2565 11.3673 11.3869 12.0375 12.0961 13.9770 14.0017 14.0719 14.1391 14.1702 14.1809 14.3948 14.4338 k = 0.5000 0.0228 0.5801 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5545 -44.5359 -44.2974 -44.2743 -42.8034 -42.8027 -42.8004 -42.7962 -20.9943 -20.9928 -20.3438 -20.3415 -20.3384 -20.3379 3.3153 3.3232 8.0726 8.2712 8.3344 8.5122 9.3641 9.3916 10.7529 10.7972 11.1997 11.2189 11.2460 11.2674 11.3674 11.3862 12.0346 12.0923 13.9778 14.0033 14.0667 14.1320 14.1836 14.1935 14.4106 14.4492 k = 0.5000 0.0304 0.5694 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5544 -44.5359 -44.2974 -44.2743 -42.8034 -42.8027 -42.8004 -42.7962 -20.9943 -20.9928 -20.3438 -20.3415 -20.3383 -20.3378 3.3112 3.3191 8.0560 8.2390 8.3468 8.5098 9.3780 9.4084 10.7575 10.8014 11.1981 11.2284 11.2449 11.2816 11.3681 11.3858 12.0313 12.0880 13.9793 14.0057 14.0603 14.1237 14.2011 14.2103 14.4319 14.4694 k = 0.5000 0.0380 0.5587 ( 4194 PWs) bands (ev): -78.8409 -78.8409 -44.5543 -44.5359 -44.2974 -44.2744 -42.8033 -42.8027 -42.8003 -42.7963 -20.9943 -20.9928 -20.3438 -20.3416 -20.3382 -20.3377 3.3059 3.3138 8.0337 8.1998 8.3627 8.5098 9.3940 9.4272 10.7638 10.8071 11.1962 11.2367 11.2471 11.2994 11.3693 11.3860 12.0277 12.0830 13.9817 14.0089 14.0535 14.1150 14.2220 14.2306 14.4583 14.4936 k = 0.5000 0.0456 0.5479 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5542 -44.5359 -44.2973 -44.2745 -42.8034 -42.8027 -42.8003 -42.7963 -20.9942 -20.9927 -20.3438 -20.3416 -20.3381 -20.3376 3.2996 3.3074 8.0056 8.1551 8.3819 8.5133 9.4110 9.4467 10.7716 10.8141 11.1934 11.2368 11.2574 11.3199 11.3704 11.3874 12.0238 12.0774 13.9848 14.0127 14.0468 14.1063 14.2453 14.2531 14.4892 14.5209 k = 0.5000 0.0532 0.5372 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5542 -44.5359 -44.2973 -44.2746 -42.8034 -42.8027 -42.8004 -42.7963 -20.9942 -20.9927 -20.3438 -20.3416 -20.3380 -20.3375 3.2923 3.3001 7.9720 8.1060 8.4041 8.5211 9.4279 9.4656 10.7811 10.8224 11.1901 11.2340 11.2698 11.3415 11.3719 11.3924 12.0201 12.0718 13.9886 14.0170 14.0407 14.0982 14.2700 14.2770 14.5244 14.5508 k = 0.5000 0.0608 0.5264 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5540 -44.5360 -44.2973 -44.2747 -42.8033 -42.8027 -42.8004 -42.7964 -20.9941 -20.9926 -20.3438 -20.3417 -20.3378 -20.3373 3.2841 3.2918 7.9335 8.0535 8.4293 8.5334 9.4439 9.4832 10.7924 10.8322 11.1865 11.2305 11.2806 11.3562 11.3816 11.4038 12.0169 12.0664 13.9926 14.0215 14.0365 14.0913 14.2946 14.3011 14.5638 14.5833 k = 0.5000 0.0684 0.5157 ( 4202 PWs) bands (ev): -78.8410 -78.8410 -44.5539 -44.5360 -44.2972 -44.2749 -42.8033 -42.8027 -42.8004 -42.7964 -20.9940 -20.9926 -20.3438 -20.3417 -20.3376 -20.3372 3.2750 3.2826 7.8909 7.9986 8.4572 8.5502 9.4584 9.4987 10.8053 10.8433 11.1827 11.2266 11.2877 11.3566 11.4049 11.4231 12.0145 12.0614 13.9960 14.0255 14.0349 14.0863 14.3176 14.3240 14.6072 14.6190 k = 0.5000 0.0760 0.5049 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5538 -44.5360 -44.2972 -44.2750 -42.8033 -42.8027 -42.8004 -42.7965 -20.9940 -20.9925 -20.3438 -20.3418 -20.3375 -20.3370 3.2651 3.2726 7.8451 7.9421 8.4876 8.5711 9.4708 9.5116 10.8193 10.8553 11.1784 11.2220 11.2905 11.3517 11.4328 11.4510 12.0136 12.0578 13.9978 14.0296 14.0361 14.0839 14.3380 14.3444 14.6541 14.6595 k = 0.5000 0.0836 0.4942 ( 4204 PWs) bands (ev): -78.8411 -78.8411 -44.5536 -44.5360 -44.2971 -44.2752 -42.8033 -42.8027 -42.8004 -42.7965 -20.9939 -20.9924 -20.3438 -20.3418 -20.3372 -20.3368 3.2545 3.2620 7.7969 7.8846 8.5203 8.5958 9.4810 9.5218 10.8345 10.8686 11.1738 11.2172 11.2897 11.3448 11.4637 11.4849 12.0139 12.0552 13.9977 14.0348 14.0384 14.0848 14.3549 14.3615 14.7024 14.7086 k = 0.5000 0.0912 0.4835 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5534 -44.5360 -44.2970 -44.2754 -42.8033 -42.8026 -42.8004 -42.7966 -20.9938 -20.9924 -20.3438 -20.3419 -20.3370 -20.3366 3.2434 3.2507 7.7471 7.8267 8.5551 8.6237 9.4889 9.5291 10.8505 10.8826 11.1693 11.2124 11.2863 11.3368 11.4977 11.5222 12.0161 12.0543 13.9968 14.0372 14.0450 14.0891 14.3681 14.3748 14.7545 14.7646 k = 0.5000 0.0988 0.4727 ( 4198 PWs) bands (ev): -78.8409 -78.8409 -44.5531 -44.5361 -44.2969 -44.2756 -42.8032 -42.8026 -42.8004 -42.7966 -20.9937 -20.9923 -20.3438 -20.3419 -20.3368 -20.3364 3.2317 3.2389 7.6963 7.7688 8.5917 8.6545 9.4944 9.5338 10.8666 10.8970 11.1644 11.2070 11.2802 11.3271 11.5352 11.5625 12.0201 12.0552 13.9958 14.0372 14.0547 14.0962 14.3777 14.3844 14.8128 14.8250 k = 0.5000 0.1064 0.4620 ( 4198 PWs) bands (ev): -78.8409 -78.8409 -44.5529 -44.5361 -44.2968 -44.2759 -42.8032 -42.8026 -42.8004 -42.7967 -20.9936 -20.9922 -20.3438 -20.3420 -20.3365 -20.3361 3.2196 3.2266 7.6451 7.7113 8.6299 8.6876 9.4975 9.5358 10.8825 10.9114 11.1594 11.2015 11.2725 11.3163 11.5747 11.6040 12.0260 12.0579 13.9955 14.0369 14.0657 14.1052 14.3840 14.3909 14.8773 14.8891 k = 0.5000 0.1140 0.4512 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5527 -44.5362 -44.2967 -44.2761 -42.8032 -42.8026 -42.8004 -42.7968 -20.9935 -20.9921 -20.3438 -20.3421 -20.3363 -20.3359 3.2072 3.2141 7.5939 7.6546 8.6694 8.7227 9.4985 9.5354 10.8977 10.9256 11.1544 11.1959 11.2633 11.3043 11.6161 11.6470 12.0338 12.0627 13.9959 14.0370 14.0776 14.1155 14.3875 14.3948 14.9473 14.9558 k = 0.5000 0.1215 0.4405 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5525 -44.5363 -44.2965 -44.2764 -42.8032 -42.8026 -42.8005 -42.7969 -20.9934 -20.9921 -20.3438 -20.3422 -20.3360 -20.3357 3.1945 3.2012 7.5432 7.5989 8.7098 8.7594 9.4976 9.5329 10.9120 10.9392 11.1491 11.1898 11.2527 11.2910 11.6589 11.6909 12.0432 12.0691 13.9974 14.0378 14.0899 14.1264 14.3888 14.3966 15.0191 15.0263 k = 0.5000 0.1291 0.4297 ( 4212 PWs) bands (ev): -78.8413 -78.8413 -44.5522 -44.5365 -44.2963 -44.2767 -42.8031 -42.8026 -42.8005 -42.7970 -20.9933 -20.9920 -20.3438 -20.3422 -20.3357 -20.3354 3.1818 3.1883 7.4933 7.5444 8.7510 8.7973 9.4950 9.5286 10.9255 10.9523 11.1440 11.1838 11.2416 11.2774 11.7027 11.7353 12.0546 12.0777 14.0001 14.0396 14.1027 14.1379 14.3885 14.3968 15.0865 15.1052 k = 0.5000 0.1367 0.4190 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5518 -44.5365 -44.2961 -44.2771 -42.8031 -42.8025 -42.8005 -42.7971 -20.9932 -20.9919 -20.3438 -20.3423 -20.3354 -20.3352 3.1690 3.1753 7.4445 7.4916 8.7929 8.8362 9.4911 9.5229 10.9383 10.9651 11.1394 11.1781 11.2304 11.2637 11.7475 11.7804 12.0679 12.0886 14.0042 14.0426 14.1158 14.1498 14.3870 14.3958 15.1538 15.1837 k = 0.5000 0.1443 0.4082 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5515 -44.5367 -44.2959 -44.2774 -42.8030 -42.8025 -42.8005 -42.7972 -20.9931 -20.9918 -20.3438 -20.3424 -20.3351 -20.3349 3.1562 3.1623 7.3971 7.4403 8.8348 8.8754 9.4862 9.5161 10.9496 10.9766 11.1345 11.1720 11.2188 11.2494 11.7925 11.8255 12.0826 12.1011 14.0095 14.0467 14.1289 14.1616 14.3845 14.3937 15.2223 15.2525 k = 0.5000 0.1519 0.3975 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5512 -44.5368 -44.2957 -44.2778 -42.8030 -42.8025 -42.8005 -42.7973 -20.9929 -20.9917 -20.3438 -20.3425 -20.3348 -20.3346 3.1436 3.1494 7.3512 7.3910 8.8765 8.9147 9.4803 9.5083 10.9594 10.9869 11.1297 11.1657 11.2071 11.2348 11.8369 11.8698 12.0982 12.1149 14.0161 14.0520 14.1417 14.1731 14.3815 14.3910 15.2922 15.3202 k = 0.5000 0.1595 0.3868 ( 4218 PWs) bands (ev): -78.8414 -78.8414 -44.5509 -44.5371 -44.2954 -44.2782 -42.8030 -42.8025 -42.8006 -42.7975 -20.9928 -20.9917 -20.3438 -20.3425 -20.3346 -20.3344 3.1311 3.1367 7.3070 7.3436 8.9177 8.9536 9.4738 9.4999 10.9676 10.9955 11.1249 11.1593 11.1955 11.2202 11.8806 11.9133 12.1144 12.1296 14.0239 14.0585 14.1542 14.1841 14.3779 14.3876 15.3635 15.3887 k = 0.5000 0.1671 0.3760 ( 4220 PWs) bands (ev): -78.8414 -78.8414 -44.5505 -44.5373 -44.2951 -44.2786 -42.8029 -42.8025 -42.8006 -42.7976 -20.9927 -20.9916 -20.3438 -20.3426 -20.3343 -20.3341 3.1190 3.1244 7.2647 7.2983 8.9582 8.9920 9.4670 9.4911 10.9748 11.0034 11.1205 11.1532 11.1847 11.2062 11.9236 11.9558 12.1317 12.1458 14.0332 14.0663 14.1662 14.1945 14.3745 14.3843 15.4359 15.4579 k = 0.5000 0.1747 0.3653 ( 4212 PWs) bands (ev): -78.8412 -78.8412 -44.5501 -44.5375 -44.2948 -44.2791 -42.8028 -42.8024 -42.8005 -42.7977 -20.9926 -20.9915 -20.3438 -20.3427 -20.3340 -20.3339 3.1073 3.1123 7.2245 7.2553 8.9978 9.0296 9.4604 9.4825 10.9811 11.0100 11.1167 11.1476 11.1747 11.1931 11.9661 11.9977 12.1500 12.1631 14.0438 14.0753 14.1778 14.2044 14.3714 14.3810 15.5090 15.5277 k = 0.5000 0.1823 0.3545 ( 4212 PWs) bands (ev): -78.8412 -78.8412 -44.5497 -44.5377 -44.2944 -44.2795 -42.8027 -42.8024 -42.8006 -42.7979 -20.9925 -20.9915 -20.3438 -20.3428 -20.3337 -20.3336 3.0960 3.1007 7.1865 7.2147 9.0358 9.0657 9.4538 9.4739 10.9860 11.0150 11.1129 11.1419 11.1650 11.1807 12.0068 12.0377 12.1680 12.1805 14.0555 14.0854 14.1884 14.2130 14.3686 14.3778 15.5821 15.5974 k = 0.5000 0.1899 0.3438 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5492 -44.5379 -44.2940 -44.2800 -42.8026 -42.8023 -42.8005 -42.7980 -20.9924 -20.9914 -20.3438 -20.3429 -20.3335 -20.3334 3.0851 3.0896 7.1508 7.1764 9.0722 9.1001 9.4476 9.4657 10.9900 11.0185 11.1098 11.1370 11.1558 11.1701 12.0459 12.0759 12.1861 12.1980 14.0685 14.0966 14.1979 14.2204 14.3665 14.3752 15.6546 15.6662 k = 0.5000 0.1975 0.3330 ( 4208 PWs) bands (ev): -78.8411 -78.8411 -44.5488 -44.5382 -44.2936 -44.2805 -42.8026 -42.8023 -42.8005 -42.7981 -20.9922 -20.9914 -20.3438 -20.3429 -20.3332 -20.3332 3.0749 3.0791 7.1174 7.1407 9.1064 9.1324 9.4419 9.4580 10.9928 11.0205 11.1068 11.1322 11.1462 11.1610 12.0831 12.1121 12.2040 12.2153 14.0823 14.1087 14.2062 14.2264 14.3652 14.3730 15.7254 15.7334 k = 0.5000 0.2051 0.3223 ( 4202 PWs) bands (ev): -78.8409 -78.8409 -44.5483 -44.5385 -44.2932 -44.2810 -42.8025 -42.8022 -42.8005 -42.7982 -20.9921 -20.9913 -20.3438 -20.3430 -20.3330 -20.3330 3.0653 3.0691 7.0865 7.1075 9.1383 9.1623 9.4372 9.4512 10.9948 11.0213 11.1043 11.1286 11.1369 11.1541 12.1185 12.1462 12.2216 12.2324 14.0971 14.1216 14.2133 14.2312 14.3647 14.3716 15.7934 15.7977 k = 0.5000 0.2127 0.3116 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5479 -44.5388 -44.2928 -44.2815 -42.8024 -42.8022 -42.8005 -42.7984 -20.9920 -20.9913 -20.3438 -20.3431 -20.3328 -20.3327 3.0564 3.0599 7.0581 7.0770 9.1673 9.1894 9.4334 9.4452 10.9958 11.0203 11.1016 11.1252 11.1272 11.1485 12.1515 12.1778 12.2382 12.2485 14.1123 14.1349 14.2189 14.2343 14.3650 14.3707 15.8566 15.8579 k = 0.5000 0.2203 0.3008 ( 4212 PWs) bands (ev): -78.8412 -78.8412 -44.5475 -44.5392 -44.2923 -44.2821 -42.8024 -42.8022 -42.8005 -42.7986 -20.9919 -20.9912 -20.3438 -20.3431 -20.3326 -20.3326 3.0481 3.0513 7.0324 7.0491 9.1933 9.2132 9.4308 9.4405 10.9962 11.0183 11.0991 11.1182 11.1226 11.1442 12.1817 12.2065 12.2538 12.2635 14.1280 14.1487 14.2231 14.2361 14.3659 14.3705 15.9110 15.9143 k = 0.5000 0.2279 0.2901 ( 4210 PWs) bands (ev): -78.8412 -78.8412 -44.5470 -44.5396 -44.2918 -44.2827 -42.8023 -42.8022 -42.8004 -42.7987 -20.9918 -20.9912 -20.3438 -20.3432 -20.3324 -20.3324 3.0407 3.0436 7.0092 7.0240 9.2160 9.2338 9.4297 9.4374 10.9964 11.0158 11.0967 11.1102 11.1212 11.1410 12.2099 12.2329 12.2686 12.2777 14.1439 14.1626 14.2262 14.2370 14.3675 14.3710 15.9569 15.9630 k = 0.5000 0.2355 0.2793 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5464 -44.5399 -44.2913 -44.2832 -42.8022 -42.8021 -42.8004 -42.7988 -20.9917 -20.9912 -20.3438 -20.3433 -20.3322 -20.3322 3.0341 3.0366 6.9889 7.0016 9.2353 9.2509 9.4301 9.4358 10.9965 11.0131 11.0942 11.1033 11.1207 11.1385 12.2355 12.2565 12.2824 12.2907 14.1596 14.1763 14.2283 14.2370 14.3693 14.3719 15.9933 16.0014 k = 0.5000 0.2431 0.2686 ( 4202 PWs) bands (ev): -78.8409 -78.8409 -44.5459 -44.5403 -44.2908 -44.2838 -42.8022 -42.8020 -42.8003 -42.7990 -20.9917 -20.9912 -20.3438 -20.3433 -20.3321 -20.3321 3.0283 3.0304 6.9712 6.9820 9.2512 9.2644 9.4317 9.4356 10.9962 11.0102 11.0914 11.0973 11.1210 11.1365 12.2584 12.2773 12.2948 12.3021 14.1748 14.1895 14.2294 14.2364 14.3712 14.3731 16.0196 16.0287 k = 0.5000 0.2507 0.2578 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5454 -44.5407 -44.2903 -44.2844 -42.8021 -42.8020 -42.8002 -42.7991 -20.9916 -20.9912 -20.3437 -20.3434 -20.3320 -20.3320 3.0233 3.0252 6.9564 6.9653 9.2636 9.2745 9.4344 9.4368 10.9960 11.0073 11.0889 11.0922 11.1217 11.1348 12.2780 12.2944 12.3058 12.3121 14.1888 14.2014 14.2301 14.2356 14.3729 14.3742 16.0364 16.0454 k = 0.5000 0.2583 0.2471 ( 4192 PWs) bands (ev): -78.8407 -78.8407 -44.5449 -44.5411 -44.2897 -44.2850 -42.8020 -42.8019 -42.8001 -42.7992 -20.9915 -20.9912 -20.3437 -20.3434 -20.3319 -20.3319 3.0193 3.0208 6.9443 6.9515 9.2730 9.2817 9.4378 9.4390 10.9960 11.0048 11.0867 11.0884 11.1229 11.1335 12.2943 12.3076 12.3164 12.3209 14.2012 14.2117 14.2307 14.2348 14.3744 14.3753 16.0457 16.0535 k = 0.5000 0.2659 0.2364 ( 4190 PWs) bands (ev): -78.8406 -78.8406 -44.5444 -44.5415 -44.2891 -44.2856 -42.8019 -42.8019 -42.8000 -42.7993 -20.9914 -20.9912 -20.3437 -20.3435 -20.3318 -20.3318 3.0162 3.0173 6.9351 6.9405 9.2798 9.2862 9.4409 9.4414 10.9960 11.0025 11.0845 11.0852 11.1242 11.1322 12.3071 12.3167 12.3254 12.3279 14.2114 14.2195 14.2312 14.2342 14.3756 14.3762 16.0499 16.0560 k = 0.5000 0.2735 0.2256 ( 4186 PWs) bands (ev): -78.8405 -78.8405 -44.5438 -44.5419 -44.2886 -44.2862 -42.8019 -42.8019 -42.7999 -42.7994 -20.9914 -20.9912 -20.3437 -20.3435 -20.3317 -20.3317 3.0140 3.0148 6.9288 6.9323 9.2846 9.2888 9.4435 9.4437 10.9964 11.0007 11.0830 11.0832 11.1258 11.1311 12.3165 12.3224 12.3324 12.3333 14.2190 14.2242 14.2326 14.2341 14.3765 14.3769 16.0513 16.0555 k = 0.5000 0.2811 0.2149 ( 4178 PWs) bands (ev): -78.8403 -78.8403 -44.5433 -44.5423 -44.2880 -44.2868 -42.8019 -42.8018 -42.7997 -42.7995 -20.9913 -20.9912 -20.3436 -20.3436 -20.3317 -20.3317 3.0128 3.0132 6.9254 6.9271 9.2878 9.2899 9.4453 9.4453 10.9972 10.9994 11.0823 11.0823 11.1273 11.1300 12.3228 12.3255 12.3369 12.3371 14.2236 14.2258 14.2344 14.2347 14.3770 14.3773 16.0517 16.0538 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -78.8399 -78.8399 -44.5427 -44.5427 -44.2874 -44.2874 -42.8017 -42.8017 -42.7996 -42.7996 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0125 3.0125 6.9248 6.9248 9.2897 9.2897 9.4462 9.4462 10.9986 10.9986 11.0824 11.0824 11.1291 11.1291 12.3263 12.3263 12.3391 12.3391 14.2256 14.2256 14.2353 14.2353 14.3774 14.3774 16.0525 16.0525 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -78.8399 -78.8399 -44.5427 -44.5427 -44.2874 -44.2874 -42.8017 -42.8017 -42.7996 -42.7996 -20.9913 -20.9913 -20.3436 -20.3436 -20.3317 -20.3317 3.0125 3.0125 6.9248 6.9248 9.2897 9.2897 9.4462 9.4462 10.9986 10.9986 11.0824 11.0824 11.1291 11.1291 12.3263 12.3263 12.3391 12.3391 14.2256 14.2256 14.2353 14.2353 14.3774 14.3774 16.0525 16.0525 k = 0.4962 0.2865 0.2165 ( 4178 PWs) bands (ev): -78.8403 -78.8403 -44.5433 -44.5423 -44.2880 -44.2868 -42.8019 -42.8018 -42.7997 -42.7995 -20.9913 -20.9912 -20.3436 -20.3436 -20.3317 -20.3317 3.0128 3.0132 6.9254 6.9271 9.2878 9.2899 9.4453 9.4453 10.9973 10.9994 11.0823 11.0823 11.1273 11.1300 12.3228 12.3255 12.3370 12.3371 14.2236 14.2258 14.2344 14.2346 14.3770 14.3772 16.0517 16.0538 k = 0.4924 0.2843 0.2289 ( 4188 PWs) bands (ev): -78.8406 -78.8406 -44.5438 -44.5419 -44.2886 -44.2862 -42.8019 -42.8019 -42.7999 -42.7994 -20.9914 -20.9912 -20.3437 -20.3435 -20.3317 -20.3317 3.0140 3.0148 6.9288 6.9323 9.2846 9.2888 9.4435 9.4435 10.9964 11.0007 11.0830 11.0831 11.1257 11.1310 12.3165 12.3223 12.3324 12.3329 14.2191 14.2242 14.2328 14.2339 14.3765 14.3769 16.0513 16.0555 k = 0.4886 0.2821 0.2412 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5444 -44.5415 -44.2891 -44.2856 -42.8020 -42.8019 -42.8001 -42.7994 -20.9914 -20.9912 -20.3437 -20.3435 -20.3318 -20.3318 3.0162 3.0173 6.9351 6.9404 9.2799 9.2862 9.4411 9.4412 10.9959 11.0024 11.0846 11.0849 11.1240 11.1320 12.3073 12.3166 12.3257 12.3270 14.2114 14.2194 14.2318 14.2338 14.3755 14.3761 16.0497 16.0559 k = 0.4848 0.2799 0.2536 ( 4193 PWs) bands (ev): -78.8407 -78.8407 -44.5449 -44.5411 -44.2897 -44.2850 -42.8020 -42.8020 -42.8001 -42.7992 -20.9915 -20.9912 -20.3437 -20.3434 -20.3319 -20.3319 3.0193 3.0207 6.9442 6.9513 9.2731 9.2817 9.4383 9.4384 10.9961 11.0048 11.0871 11.0878 11.1229 11.1334 12.2948 12.3073 12.3176 12.3196 14.2010 14.2114 14.2320 14.2343 14.3744 14.3752 16.0456 16.0534 k = 0.4811 0.2777 0.2660 ( 4201 PWs) bands (ev): -78.8409 -78.8409 -44.5454 -44.5407 -44.2903 -44.2844 -42.8021 -42.8020 -42.8002 -42.7991 -20.9916 -20.9912 -20.3437 -20.3434 -20.3320 -20.3320 3.0233 3.0251 6.9562 6.9651 9.2637 9.2744 9.4356 9.4357 10.9960 11.0073 11.0897 11.0912 11.1218 11.1347 12.2785 12.2939 12.3081 12.3101 14.1878 14.2006 14.2327 14.2352 14.3730 14.3738 16.0359 16.0447 k = 0.4773 0.2756 0.2784 ( 4210 PWs) bands (ev): -78.8412 -78.8412 -44.5460 -44.5404 -44.2908 -44.2838 -42.8022 -42.8021 -42.8003 -42.7990 -20.9917 -20.9912 -20.3438 -20.3433 -20.3321 -20.3321 3.0282 3.0303 6.9709 6.9817 9.2514 9.2641 9.4336 9.4336 10.9961 11.0099 11.0927 11.0953 11.1211 11.1362 12.2590 12.2770 12.2971 12.2989 14.1729 14.1881 14.2336 14.2363 14.3712 14.3720 16.0178 16.0266 k = 0.4735 0.2734 0.2907 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5464 -44.5399 -44.2913 -44.2832 -42.8022 -42.8021 -42.8004 -42.7988 -20.9917 -20.9912 -20.3438 -20.3433 -20.3322 -20.3322 3.0339 3.0364 6.9885 7.0012 9.2358 9.2506 9.4329 9.4332 10.9966 11.0131 11.0961 11.1006 11.1216 11.1383 12.2369 12.2573 12.2853 12.2867 14.1565 14.1743 14.2351 14.2380 14.3692 14.3700 15.9887 15.9962 k = 0.4697 0.2712 0.3031 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5469 -44.5395 -44.2918 -44.2827 -42.8023 -42.8021 -42.8004 -42.7987 -20.9918 -20.9912 -20.3438 -20.3432 -20.3324 -20.3324 3.0405 3.0434 7.0088 7.0235 9.2166 9.2332 9.4336 9.4344 10.9968 11.0162 11.0992 11.1067 11.1233 11.1408 12.2120 12.2348 12.2719 12.2728 14.1387 14.1592 14.2369 14.2399 14.3669 14.3676 15.9475 15.9525 k = 0.4659 0.2690 0.3155 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5474 -44.5392 -44.2923 -44.2821 -42.8024 -42.8022 -42.8004 -42.7985 -20.9919 -20.9912 -20.3438 -20.3431 -20.3326 -20.3325 3.0479 3.0511 7.0318 7.0485 9.1937 9.2120 9.4360 9.4373 10.9967 11.0189 11.1018 11.1135 11.1264 11.1436 12.1843 12.2095 12.2571 12.2575 14.1201 14.1432 14.2390 14.2422 14.3643 14.3650 15.8943 15.8961 k = 0.4621 0.2668 0.3278 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5478 -44.5388 -44.2928 -44.2816 -42.8024 -42.8022 -42.8004 -42.7984 -20.9920 -20.9913 -20.3438 -20.3431 -20.3328 -20.3327 3.0561 3.0596 7.0574 7.0762 9.1673 9.1873 9.4399 9.4420 10.9962 11.0210 11.1041 11.1208 11.1310 11.1469 12.1544 12.1821 12.2405 12.2407 14.1009 14.1268 14.2414 14.2446 14.3615 14.3621 15.8295 15.8310 k = 0.4583 0.2646 0.3402 ( 4196 PWs) bands (ev): -78.8408 -78.8408 -44.5482 -44.5384 -44.2932 -44.2810 -42.8024 -42.8022 -42.8004 -42.7982 -20.9921 -20.9913 -20.3438 -20.3430 -20.3330 -20.3329 3.0650 3.0688 7.0856 7.1066 9.1375 9.1593 9.4454 9.4483 10.9952 11.0225 11.1066 11.1292 11.1375 11.1512 12.1229 12.1530 12.2228 12.2235 14.0811 14.1098 14.2442 14.2475 14.3588 14.3591 15.7556 15.7602 k = 0.4545 0.2624 0.3526 ( 4194 PWs) bands (ev): -78.8407 -78.8407 -44.5487 -44.5381 -44.2936 -44.2805 -42.8025 -42.8022 -42.8004 -42.7981 -20.9922 -20.9914 -20.3438 -20.3429 -20.3332 -20.3331 3.0745 3.0787 7.1163 7.1396 9.1045 9.1280 9.4523 9.4561 10.9933 11.0226 11.1095 11.1379 11.1449 11.1562 12.0891 12.1218 12.2035 12.2049 14.0610 14.0925 14.2472 14.2506 14.3560 14.3560 15.6770 15.6840 k = 0.4508 0.2602 0.3649 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5491 -44.5379 -44.2940 -44.2800 -42.8026 -42.8023 -42.8005 -42.7980 -20.9923 -20.9914 -20.3438 -20.3429 -20.3335 -20.3334 3.0847 3.0891 7.1494 7.1751 9.0686 9.0939 9.4604 9.4651 10.9902 11.0207 11.1132 11.1466 11.1529 11.1620 12.0535 12.0887 12.1829 12.1850 14.0407 14.0750 14.2505 14.2538 14.3528 14.3532 15.5959 15.6046 k = 0.4470 0.2581 0.3773 ( 4200 PWs) bands (ev): -78.8409 -78.8409 -44.5496 -44.5376 -44.2944 -44.2796 -42.8027 -42.8023 -42.8005 -42.7978 -20.9925 -20.9915 -20.3438 -20.3428 -20.3337 -20.3336 3.0954 3.1001 7.1849 7.2132 9.0302 9.0574 9.4696 9.4752 10.9863 11.0176 11.1180 11.1555 11.1618 11.1694 12.0172 12.0548 12.1614 12.1643 14.0203 14.0573 14.2542 14.2574 14.3498 14.3506 15.5142 15.5241 k = 0.4432 0.2559 0.3897 ( 4204 PWs) bands (ev): -78.8410 -78.8410 -44.5500 -44.5374 -44.2947 -44.2791 -42.8028 -42.8023 -42.8005 -42.7977 -20.9926 -20.9915 -20.3438 -20.3427 -20.3340 -20.3338 3.1066 3.1116 7.2226 7.2536 8.9893 9.0186 9.4799 9.4864 10.9813 11.0128 11.1239 11.1642 11.1712 11.1782 11.9793 12.0193 12.1389 12.1427 13.9998 14.0394 14.2582 14.2613 14.3469 14.3483 15.4333 15.4438 k = 0.4394 0.2537 0.4021 ( 4210 PWs) bands (ev): -78.8412 -78.8412 -44.5504 -44.5373 -44.2950 -44.2787 -42.8029 -42.8024 -42.8005 -42.7976 -20.9927 -20.9916 -20.3438 -20.3426 -20.3343 -20.3341 3.1181 3.1235 7.2624 7.2964 8.9463 8.9779 9.4911 9.4985 10.9750 11.0064 11.1308 11.1727 11.1812 11.1885 11.9406 11.9830 12.1155 12.1203 13.9793 14.0214 14.2625 14.2655 14.3441 14.3464 15.3541 15.3647 k = 0.4356 0.2515 0.4144 ( 4206 PWs) bands (ev): -78.8411 -78.8411 -44.5507 -44.5371 -44.2953 -44.2783 -42.8029 -42.8024 -42.8004 -42.7975 -20.9928 -20.9917 -20.3438 -20.3426 -20.3346 -20.3343 3.1301 3.1356 7.3042 7.3414 8.9017 8.9358 9.5033 9.5116 10.9681 10.9988 11.1390 11.1816 11.1919 11.2001 11.9020 11.9467 12.0918 12.0976 13.9591 14.0034 14.2674 14.2701 14.3418 14.3449 15.2779 15.2881 k = 0.4318 0.2493 0.4268 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5511 -44.5369 -44.2955 -44.2779 -42.8030 -42.8024 -42.8004 -42.7974 -20.9929 -20.9917 -20.3438 -20.3425 -20.3348 -20.3346 3.1422 3.1480 7.3478 7.3884 8.8555 8.8925 9.5162 9.5253 10.9599 10.9898 11.1479 11.1906 11.2028 11.2124 11.8633 11.9103 12.0673 12.0744 13.9389 13.9854 14.2724 14.2749 14.3397 14.3439 15.2051 15.2145 k = 0.4280 0.2471 0.4392 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5514 -44.5368 -44.2957 -44.2776 -42.8030 -42.8025 -42.8004 -42.7973 -20.9930 -20.9918 -20.3438 -20.3424 -20.3351 -20.3348 3.1545 3.1605 7.3929 7.4374 8.8081 8.8482 9.5298 9.5397 10.9504 10.9793 11.1572 11.1998 11.2139 11.2253 11.8240 11.8733 12.0427 12.0510 13.9186 13.9670 14.2779 14.2800 14.3378 14.3434 15.1361 15.1443 k = 0.4242 0.2449 0.4515 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5517 -44.5367 -44.2959 -44.2772 -42.8031 -42.8025 -42.8004 -42.7972 -20.9931 -20.9919 -20.3438 -20.3424 -20.3354 -20.3350 3.1669 3.1731 7.4394 7.4881 8.7598 8.8034 9.5441 9.5548 10.9403 10.9681 11.1675 11.2099 11.2256 11.2388 11.7853 11.8367 12.0178 12.0276 13.8986 13.9487 14.2837 14.2855 14.3365 14.3437 15.0715 15.0783 k = 0.4205 0.2427 0.4639 ( 4205 PWs) bands (ev): -78.8411 -78.8411 -44.5520 -44.5366 -44.2961 -44.2770 -42.8031 -42.8025 -42.8004 -42.7971 -20.9933 -20.9920 -20.3438 -20.3423 -20.3357 -20.3353 3.1791 3.1856 7.4869 7.5404 8.7109 8.7586 9.5590 9.5705 10.9290 10.9555 11.1782 11.2201 11.2372 11.2525 11.7468 11.8001 11.9930 12.0043 13.8788 13.9303 14.2899 14.2912 14.3354 14.3444 15.0116 15.0166 k = 0.4167 0.2406 0.4763 ( 4207 PWs) bands (ev): -78.8411 -78.8411 -44.5522 -44.5366 -44.2962 -44.2767 -42.8031 -42.8026 -42.8004 -42.7970 -20.9934 -20.9921 -20.3439 -20.3422 -20.3359 -20.3355 3.1912 3.1978 7.5350 7.5938 8.6620 8.7144 9.5746 9.5867 10.9168 10.9421 11.1888 11.2300 11.2488 11.2665 11.7088 11.7638 11.9683 11.9814 13.8589 13.9116 14.2965 14.2972 14.3347 14.3456 14.9567 14.9595 k = 0.4129 0.2384 0.4887 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5524 -44.5364 -44.2963 -44.2765 -42.8031 -42.8025 -42.8003 -42.7969 -20.9935 -20.9921 -20.3439 -20.3422 -20.3362 -20.3357 3.2030 3.2098 7.5832 7.6481 8.6136 8.6713 9.5908 9.6036 10.9042 10.9284 11.2000 11.2405 11.2608 11.2810 11.6720 11.7286 11.9444 11.9592 13.8396 13.8932 14.3036 14.3037 14.3345 14.3475 14.9071 14.9076 k = 0.4091 0.2362 0.5010 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5526 -44.5364 -44.2964 -44.2763 -42.8032 -42.8026 -42.8003 -42.7968 -20.9936 -20.9922 -20.3439 -20.3422 -20.3364 -20.3359 3.2144 3.2213 7.6309 7.7027 8.5663 8.6302 9.6072 9.6207 10.8908 10.9139 11.2110 11.2506 11.2722 11.2949 11.6357 11.6936 11.9205 11.9373 13.8203 13.8745 14.3100 14.3108 14.3345 14.3498 14.8607 14.8627 k = 0.4053 0.2340 0.5134 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5528 -44.5365 -44.2964 -44.2761 -42.8032 -42.8026 -42.8003 -42.7968 -20.9937 -20.9923 -20.3439 -20.3421 -20.3366 -20.3361 3.2252 3.2322 7.6772 7.7568 8.5210 8.5919 9.6241 9.6382 10.8771 10.8990 11.2219 11.2602 11.2832 11.3087 11.6004 11.6592 11.8975 11.9163 13.8013 13.8560 14.3163 14.3182 14.3351 14.3525 14.8189 14.8236 k = 0.4015 0.2318 0.5258 ( 4197 PWs) bands (ev): -78.8409 -78.8409 -44.5529 -44.5365 -44.2964 -44.2760 -42.8032 -42.8026 -42.8003 -42.7967 -20.9937 -20.9924 -20.3440 -20.3421 -20.3369 -20.3362 3.2353 3.2424 7.7210 7.8093 8.4789 8.5578 9.6415 9.6562 10.8636 10.8844 11.2329 11.2696 11.2941 11.3224 11.5662 11.6253 11.8760 11.8969 13.7825 13.8375 14.3223 14.3260 14.3365 14.3556 14.7826 14.7900 k = 0.3977 0.2296 0.5381 ( 4199 PWs) bands (ev): -78.8409 -78.8409 -44.5530 -44.5365 -44.2964 -44.2759 -42.8032 -42.8026 -42.8003 -42.7967 -20.9938 -20.9925 -20.3440 -20.3421 -20.3370 -20.3364 3.2445 3.2517 7.7610 7.8585 8.4420 8.5293 9.6590 9.6742 10.8503 10.8699 11.2436 11.2782 11.3040 11.3352 11.5335 11.5923 11.8549 11.8779 13.7642 13.8192 14.3271 14.3335 14.3389 14.3589 14.7517 14.7617 k = 0.3939 0.2274 0.5505 ( 4202 PWs) bands (ev): -78.8410 -78.8410 -44.5531 -44.5366 -44.2964 -44.2758 -42.8032 -42.8026 -42.8003 -42.7967 -20.9939 -20.9925 -20.3440 -20.3421 -20.3372 -20.3365 3.2527 3.2599 7.7954 7.9019 8.4129 8.5083 9.6768 9.6925 10.8372 10.8558 11.2536 11.2851 11.3132 11.3473 11.5025 11.5601 11.8356 11.8607 13.7464 13.8013 14.3306 14.3409 14.3427 14.3624 14.7263 14.7384 k = 0.3902 0.2253 0.5629 ( 4206 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5367 -44.2963 -44.2758 -42.8033 -42.8027 -42.8003 -42.7967 -20.9940 -20.9926 -20.3441 -20.3422 -20.3373 -20.3366 3.2598 3.2670 7.8225 7.9358 8.3953 8.4967 9.6949 9.7111 10.8246 10.8422 11.2628 11.2896 11.3215 11.3587 11.4740 11.5290 11.8181 11.8451 13.7292 13.7838 14.3332 14.3469 14.3476 14.3660 14.7060 14.7199 k = 0.3864 0.2231 0.5753 ( 4208 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5369 -44.2962 -44.2758 -42.8033 -42.8027 -42.8003 -42.7967 -20.9940 -20.9927 -20.3441 -20.3422 -20.3374 -20.3367 3.2655 3.2727 7.8409 7.9564 8.3931 8.4961 9.7131 9.7297 10.8132 10.8299 11.2711 11.2909 11.3287 11.3692 11.4490 11.4994 11.8024 11.8311 13.7128 13.7670 14.3355 14.3501 14.3531 14.3696 14.6913 14.7054 k = 0.3826 0.2209 0.5876 ( 4209 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5370 -44.2961 -44.2758 -42.8033 -42.8027 -42.8003 -42.7968 -20.9941 -20.9927 -20.3441 -20.3422 -20.3375 -20.3368 3.2697 3.2769 7.8496 7.9618 8.4086 8.5073 9.7314 9.7483 10.8034 10.8192 11.2778 11.2874 11.3347 11.3789 11.4282 11.4716 11.7889 11.8190 13.6971 13.7508 14.3380 14.3509 14.3564 14.3730 14.6802 14.6892 k = 0.3788 0.2187 0.6000 ( 4207 PWs) bands (ev): -78.8412 -78.8412 -44.5532 -44.5371 -44.2959 -44.2759 -42.8032 -42.8027 -42.8003 -42.7967 -20.9941 -20.9928 -20.3442 -20.3423 -20.3375 -20.3369 3.2723 3.2794 7.8493 7.9533 8.4404 8.5301 9.7498 9.7670 10.7950 10.8100 11.2781 11.2824 11.3391 11.3874 11.4136 11.4469 11.7777 11.8088 13.6825 13.7357 14.3404 14.3480 14.3556 14.3762 14.6389 14.6548 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5983 14.6187 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -78.8414 -78.8414 -44.5532 -44.5373 -44.2958 -44.2760 -42.8032 -42.8027 -42.8003 -42.7968 -20.9941 -20.9928 -20.3442 -20.3424 -20.3376 -20.3369 3.2731 3.2801 7.8412 7.9347 8.4848 8.5631 9.7681 9.7856 10.7883 10.8025 11.2624 11.2832 11.3408 11.3912 11.4073 11.4266 11.7686 11.8000 13.6687 13.7211 14.3349 14.3470 14.3477 14.3797 14.5983 14.6187 k = 0.6184-0.0836 0.4082 ( 4201 PWs) bands (ev): -78.8410 -78.8410 -44.5529 -44.5375 -44.2955 -44.2762 -42.8031 -42.8026 -42.8003 -42.7968 -20.9942 -20.9929 -20.3442 -20.3425 -20.3376 -20.3370 3.2721 3.2789 7.8200 7.8968 8.5728 8.6328 9.8007 9.8184 10.7790 10.7917 11.2292 11.2789 11.3408 11.3902 11.4010 11.4107 11.7559 11.7875 13.6465 13.6977 14.3033 14.3180 14.3547 14.3869 14.5473 14.5706 k = 0.6118-0.0950 0.4082 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5528 -44.5378 -44.2951 -44.2764 -42.8031 -42.8026 -42.8003 -42.7968 -20.9942 -20.9930 -20.3443 -20.3426 -20.3376 -20.3370 3.2698 3.2763 7.7967 7.8605 8.6645 8.7099 9.8335 9.8517 10.7696 10.7809 11.1919 11.2650 11.3382 11.3844 11.3885 11.4156 11.7425 11.7744 13.6253 13.6749 14.2575 14.2718 14.3635 14.3948 14.5147 14.5376 k = 0.6053-0.1064 0.4082 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5525 -44.5381 -44.2947 -44.2767 -42.8030 -42.8026 -42.8002 -42.7969 -20.9942 -20.9930 -20.3443 -20.3428 -20.3376 -20.3370 3.2664 3.2727 7.7724 7.8260 8.7594 8.7927 9.8667 9.8853 10.7608 10.7706 11.1522 11.2397 11.3361 11.3776 11.3874 11.4211 11.7289 11.7612 13.6052 13.6532 14.2014 14.2136 14.3729 14.4030 14.4967 14.5173 k = 0.5987-0.1177 0.4082 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5523 -44.5384 -44.2943 -44.2770 -42.8030 -42.8026 -42.8002 -42.7970 -20.9942 -20.9931 -20.3444 -20.3429 -20.3375 -20.3371 3.2622 3.2681 7.7479 7.7933 8.8568 8.8801 9.9002 9.9193 10.7526 10.7608 11.1105 11.2051 11.3366 11.3759 11.3870 11.4265 11.7152 11.7480 13.5867 13.6329 14.1398 14.1498 14.3823 14.4112 14.4874 14.5054 k = 0.5921-0.1291 0.4082 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5520 -44.5388 -44.2939 -44.2774 -42.8029 -42.8026 -42.8001 -42.7971 -20.9942 -20.9932 -20.3444 -20.3430 -20.3375 -20.3371 3.2573 3.2629 7.7239 7.7625 8.9564 8.9708 9.9334 9.9531 10.7450 10.7513 11.0678 11.1660 11.3389 11.3768 11.3869 11.4324 11.7014 11.7348 13.5691 13.6133 14.0765 14.0845 14.3921 14.4195 14.4828 14.4984 k = 0.5855-0.1405 0.4082 ( 4198 PWs) bands (ev): -78.8410 -78.8410 -44.5517 -44.5392 -44.2934 -44.2778 -42.8029 -42.8026 -42.8001 -42.7972 -20.9943 -20.9932 -20.3445 -20.3432 -20.3374 -20.3371 3.2519 3.2572 7.7006 7.7336 9.0574 9.0640 9.9664 9.9867 10.7378 10.7420 11.0238 11.1239 11.3423 11.3784 11.3869 11.4382 11.6872 11.7213 13.5525 13.5945 14.0137 14.0201 14.4018 14.4277 14.4806 14.4941 k = 0.5789-0.1519 0.4082 ( 4202 PWs) bands (ev): -78.8411 -78.8411 -44.5514 -44.5396 -44.2929 -44.2782 -42.8028 -42.8026 -42.8000 -42.7973 -20.9943 -20.9933 -20.3445 -20.3433 -20.3374 -20.3371 3.2463 3.2512 7.6785 7.7068 9.1588 9.1593 9.9988 10.0199 10.7308 10.7326 10.9787 11.0797 11.3466 11.3803 11.3870 11.4439 11.6726 11.7076 13.5369 13.5766 13.9530 13.9582 14.4114 14.4357 14.4798 14.4916 k = 0.5724-0.1633 0.4082 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5509 -44.5400 -44.2924 -44.2787 -42.8028 -42.8025 -42.7999 -42.7974 -20.9943 -20.9933 -20.3446 -20.3435 -20.3373 -20.3371 3.2405 3.2450 7.6576 7.6820 9.2545 9.2616 10.0304 10.0524 10.7240 10.7249 10.9331 11.0344 11.3517 11.3831 11.3876 11.4501 11.6578 11.6939 13.5226 13.5599 13.8952 13.8994 14.4209 14.4435 14.4797 14.4901 k = 0.5658-0.1747 0.4082 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5505 -44.5404 -44.2918 -44.2792 -42.8027 -42.8025 -42.7999 -42.7975 -20.9942 -20.9934 -20.3446 -20.3436 -20.3373 -20.3370 3.2348 3.2389 7.6383 7.6591 9.3502 9.3635 10.0610 10.0840 10.7149 10.7189 10.8869 10.9882 11.3572 11.3862 11.3882 11.4563 11.6428 11.6801 13.5094 13.5440 13.8409 13.8444 14.4299 14.4509 14.4802 14.4892 k = 0.5592-0.1861 0.4082 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5501 -44.5409 -44.2912 -44.2797 -42.8026 -42.8025 -42.7998 -42.7976 -20.9942 -20.9935 -20.3446 -20.3438 -20.3372 -20.3370 3.2292 3.2330 7.6206 7.6384 9.4452 9.4646 10.0901 10.1143 10.7045 10.7120 10.8410 10.9418 11.3626 11.3888 11.3899 11.4626 11.6269 11.6658 13.4972 13.5290 13.7907 13.7937 14.4385 14.4577 14.4808 14.4886 k = 0.5526-0.1975 0.4082 ( 4190 PWs) bands (ev): -78.8408 -78.8408 -44.5496 -44.5414 -44.2906 -44.2803 -42.8025 -42.8024 -42.7998 -42.7977 -20.9942 -20.9935 -20.3447 -20.3439 -20.3372 -20.3370 3.2239 3.2273 7.6046 7.6198 9.5388 9.5641 10.1175 10.1432 10.6924 10.7027 10.7973 10.8962 11.3681 11.3895 11.3943 11.4691 11.6109 11.6515 13.4864 13.5151 13.7450 13.7475 14.4467 14.4640 14.4815 14.4883 k = 0.5461-0.2089 0.4082 ( 4194 PWs) bands (ev): -78.8409 -78.8409 -44.5492 -44.5419 -44.2900 -44.2809 -42.8025 -42.8025 -42.7997 -42.7979 -20.9942 -20.9936 -20.3447 -20.3440 -20.3371 -20.3370 3.2190 3.2220 7.5905 7.6032 9.6302 9.6612 10.1431 10.1704 10.6765 10.6854 10.7606 10.8526 11.3730 11.3901 11.3996 11.4757 11.5942 11.6368 13.4766 13.5022 13.7040 13.7061 14.4543 14.4696 14.4823 14.4880 k = 0.5395-0.2203 0.4082 ( 4192 PWs) bands (ev): -78.8408 -78.8408 -44.5487 -44.5424 -44.2894 -44.2815 -42.8025 -42.8024 -42.7996 -42.7980 -20.9942 -20.9936 -20.3447 -20.3441 -20.3371 -20.3370 3.2146 3.2172 7.5782 7.5888 9.7185 9.7551 10.1667 10.1960 10.6533 10.6544 10.7385 10.8140 11.3777 11.3908 11.4064 11.4826 11.5782 11.6227 13.4687 13.4908 13.6679 13.6698 14.4611 14.4743 14.4833 14.4878 k = 0.5329-0.2317 0.4082 ( 4196 PWs) bands (ev): -78.8409 -78.8409 -44.5483 -44.5429 -44.2887 -44.2821 -42.8025 -42.8025 -42.7995 -42.7982 -20.9941 -20.9937 -20.3447 -20.3442 -20.3370 -20.3369 3.2108 3.2129 7.5679 7.5764 9.8028 9.8445 10.1884 10.2200 10.6083 10.6226 10.7287 10.7833 11.3814 11.3914 11.4145 11.4896 11.5616 11.6082 13.4616 13.4802 13.6371 13.6387 14.4673 14.4781 14.4843 14.4877 k = 0.5263-0.2431 0.4082 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5478 -44.5435 -44.2881 -44.2827 -42.8025 -42.8025 -42.7994 -42.7983 -20.9941 -20.9937 -20.3447 -20.3443 -20.3370 -20.3369 3.2076 3.2093 7.5595 7.5662 9.8817 9.9275 10.2090 10.2429 10.5577 10.5802 10.7242 10.7615 11.3844 11.3919 11.4243 11.4966 11.5460 11.5942 13.4559 13.4709 13.6117 13.6131 14.4727 14.4809 14.4856 14.4876 k = 0.5197-0.2545 0.4082 ( 4200 PWs) bands (ev): -78.8410 -78.8410 -44.5473 -44.5441 -44.2874 -44.2834 -42.8025 -42.8025 -42.7993 -42.7985 -20.9941 -20.9938 -20.3447 -20.3444 -20.3370 -20.3369 3.2051 3.2064 7.5531 7.5580 9.9532 10.0003 10.2309 10.2656 10.5051 10.5292 10.7227 10.7472 11.3869 11.3922 11.4354 11.5019 11.5332 11.5807 13.4519 13.4632 13.5918 13.5929 14.4772 14.4825 14.4869 14.4875 k = 0.5132-0.2659 0.4082 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5467 -44.5445 -44.2867 -44.2840 -42.8024 -42.8024 -42.7991 -42.7986 -20.9940 -20.9938 -20.3447 -20.3445 -20.3369 -20.3369 3.2034 3.2042 7.5487 7.5520 10.0145 10.0560 10.2590 10.2902 10.4529 10.4727 10.7236 10.7387 11.3890 11.3924 11.4481 11.4997 11.5297 11.5683 13.4499 13.4574 13.5776 13.5784 14.4808 14.4835 14.4875 14.4880 k = 0.5066-0.2773 0.4082 ( 4188 PWs) bands (ev): -78.8407 -78.8407 -44.5461 -44.5450 -44.2860 -44.2847 -42.8024 -42.8024 -42.7990 -42.7987 -20.9940 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2024 3.2028 7.5464 7.5480 10.0606 10.0857 10.2991 10.3191 10.4033 10.4135 10.7250 10.7322 11.3905 11.3922 11.4613 11.4886 11.5354 11.5561 13.4492 13.4530 13.5691 13.5696 14.4830 14.4839 14.4878 14.4884 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -78.8406 -78.8406 -44.5456 -44.5456 -44.2854 -44.2854 -42.8023 -42.8023 -42.7989 -42.7989 -20.9939 -20.9939 -20.3446 -20.3446 -20.3369 -20.3369 3.2022 3.2022 7.5462 7.5462 10.0861 10.0861 10.3444 10.3444 10.3663 10.3663 10.7283 10.7283 11.3916 11.3916 11.4750 11.4750 11.5450 11.5450 13.4504 13.4504 13.5665 13.5665 14.4839 14.4839 14.4882 14.4882 Writing output data file TiCoSb.save init_run : 0.58s CPU 0.35s WALL ( 1 calls) electrons : 316.94s CPU 205.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.14s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 316.94s CPU 205.24s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.04s WALL ( 1 calls) v_h : 0.06s CPU 0.03s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.42s WALL ( 356 calls) cegterg : 289.97s CPU 188.66s WALL ( 540 calls) Called by sum_band: Called by *egterg: h_psi : 207.93s CPU 125.15s WALL ( 8328 calls) s_psi : 4.60s CPU 2.97s WALL ( 8328 calls) g_psi : 0.36s CPU 0.27s WALL ( 7432 calls) cdiaghg : 71.89s CPU 53.55s WALL ( 7788 calls) cegterg:over : 10.08s CPU 7.04s WALL ( 7432 calls) cegterg:upda : 8.38s CPU 5.85s WALL ( 7432 calls) cegterg:last : 4.66s CPU 3.34s WALL ( 1708 calls) cdiaghg:chol : 4.21s CPU 3.00s WALL ( 7788 calls) cdiaghg:inve : 1.96s CPU 1.60s WALL ( 7788 calls) cdiaghg:para : 3.88s CPU 3.02s WALL ( 15576 calls) Called by h_psi: h_psi:vloc : 188.96s CPU 112.67s WALL ( 8328 calls) h_psi:vnl : 18.62s CPU 12.23s WALL ( 8328 calls) add_vuspsi : 10.61s CPU 6.94s WALL ( 8328 calls) General routines calbec : 7.98s CPU 5.26s WALL ( 8328 calls) fft : 0.05s CPU 0.02s WALL ( 15 calls) fftw : 180.09s CPU 106.91s WALL ( 858228 calls) davcio : 0.51s CPU 0.76s WALL ( 712 calls) Parallel routines fft_scatter : 67.52s CPU 43.97s WALL ( 858243 calls) PWSCF : 5m31.70s CPU 3m54.72s WALL This run was terminated on: 15:46:44 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=