Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:13:55 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: ./MnNiSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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) = 7.8905 a.u. unit-cell volume = 347.3731 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 7.890486 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 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 0.3518518), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981481), 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 0.1481481 0.6481481), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684210 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815789), 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 0.1315789), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065789 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 0.2340425), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446808 0.2446808), 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 0.5265151), 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 0.5795454), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954545 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 0.7434210), 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 0.7434210), 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 0.6184210), 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 0.6515151), 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 0.6184210), 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 0.14 Mb ( 240, 38) 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 0.56 Mb ( 240, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.12 Mb ( 102, 2, 38) The potential is recalculated from file : ./MnNiSb.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.0 secs Computing kpt #: 19 total cpu time spent up to now is 9.4 secs Computing kpt #: 20 total cpu time spent up to now is 9.8 secs Computing kpt #: 21 total cpu time spent up to now is 10.2 secs Computing kpt #: 22 total cpu time spent up to now is 10.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.0 secs Computing kpt #: 24 total cpu time spent up to now is 11.3 secs Computing kpt #: 25 total cpu time spent up to now is 11.7 secs Computing kpt #: 26 total cpu time spent up to now is 12.1 secs Computing kpt #: 27 total cpu time spent up to now is 12.5 secs Computing kpt #: 28 total cpu time spent up to now is 12.9 secs Computing kpt #: 29 total cpu time spent up to now is 13.3 secs Computing kpt #: 30 total cpu time spent up to now is 13.7 secs Computing kpt #: 31 total cpu time spent up to now is 14.1 secs Computing kpt #: 32 total cpu time spent up to now is 14.5 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.0 secs Computing kpt #: 37 total cpu time spent up to now is 16.4 secs Computing kpt #: 38 total cpu time spent up to now is 16.8 secs Computing kpt #: 39 total cpu time spent up to now is 17.1 secs Computing kpt #: 40 total cpu time spent up to now is 17.5 secs Computing kpt #: 41 total cpu time spent up to now is 17.9 secs Computing kpt #: 42 total cpu time spent up to now is 18.2 secs Computing kpt #: 43 total cpu time spent up to now is 18.6 secs Computing kpt #: 44 total cpu time spent up to now is 18.9 secs Computing kpt #: 45 total cpu time spent up to now is 19.3 secs Computing kpt #: 46 total cpu time spent up to now is 19.7 secs Computing kpt #: 47 total cpu time spent up to now is 20.0 secs Computing kpt #: 48 total cpu time spent up to now is 20.3 secs Computing kpt #: 49 total cpu time spent up to now is 20.7 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.4 secs Computing kpt #: 52 total cpu time spent up to now is 21.8 secs Computing kpt #: 53 total cpu time spent up to now is 22.2 secs Computing kpt #: 54 total cpu time spent up to now is 22.7 secs Computing kpt #: 55 total cpu time spent up to now is 23.2 secs Computing kpt #: 56 total cpu time spent up to now is 23.7 secs Computing kpt #: 57 total cpu time spent up to now is 24.1 secs Computing kpt #: 58 total cpu time spent up to now is 24.5 secs Computing kpt #: 59 total cpu time spent up to now is 24.9 secs Computing kpt #: 60 total cpu time spent up to now is 25.2 secs Computing kpt #: 61 total cpu time spent up to now is 25.6 secs Computing kpt #: 62 total cpu time spent up to now is 25.9 secs Computing kpt #: 63 total cpu time spent up to now is 26.3 secs Computing kpt #: 64 total cpu time spent up to now is 26.7 secs Computing kpt #: 65 total cpu time spent up to now is 27.0 secs Computing kpt #: 66 total cpu time spent up to now is 27.4 secs Computing kpt #: 67 total cpu time spent up to now is 27.7 secs Computing kpt #: 68 total cpu time spent up to now is 28.1 secs Computing kpt #: 69 total cpu time spent up to now is 28.4 secs Computing kpt #: 70 total cpu time spent up to now is 28.8 secs Computing kpt #: 71 total cpu time spent up to now is 29.2 secs Computing kpt #: 72 total cpu time spent up to now is 29.5 secs Computing kpt #: 73 total cpu time spent up to now is 29.9 secs Computing kpt #: 74 total cpu time spent up to now is 30.3 secs Computing kpt #: 75 total cpu time spent up to now is 30.7 secs Computing kpt #: 76 total cpu time spent up to now is 31.0 secs Computing kpt #: 77 total cpu time spent up to now is 31.4 secs Computing kpt #: 78 total cpu time spent up to now is 31.8 secs Computing kpt #: 79 total cpu time spent up to now is 32.5 secs Computing kpt #: 80 total cpu time spent up to now is 32.8 secs Computing kpt #: 81 total cpu time spent up to now is 33.2 secs Computing kpt #: 82 total cpu time spent up to now is 33.7 secs Computing kpt #: 83 total cpu time spent up to now is 34.0 secs Computing kpt #: 84 total cpu time spent up to now is 34.4 secs Computing kpt #: 85 total cpu time spent up to now is 34.9 secs Computing kpt #: 86 total cpu time spent up to now is 35.4 secs Computing kpt #: 87 total cpu time spent up to now is 35.8 secs Computing kpt #: 88 total cpu time spent up to now is 36.2 secs Computing kpt #: 89 total cpu time spent up to now is 36.6 secs Computing kpt #: 90 total cpu time spent up to now is 37.0 secs Computing kpt #: 91 total cpu time spent up to now is 37.4 secs Computing kpt #: 92 total cpu time spent up to now is 37.8 secs Computing kpt #: 93 total cpu time spent up to now is 38.2 secs Computing kpt #: 94 total cpu time spent up to now is 38.5 secs Computing kpt #: 95 total cpu time spent up to now is 38.9 secs Computing kpt #: 96 total cpu time spent up to now is 39.3 secs Computing kpt #: 97 total cpu time spent up to now is 39.7 secs Computing kpt #: 98 total cpu time spent up to now is 40.0 secs Computing kpt #: 99 total cpu time spent up to now is 40.4 secs Computing kpt #: 100 total cpu time spent up to now is 40.7 secs Computing kpt #: 101 total cpu time spent up to now is 41.1 secs Computing kpt #: 102 total cpu time spent up to now is 41.5 secs Computing kpt #: 103 total cpu time spent up to now is 41.9 secs Computing kpt #: 104 total cpu time spent up to now is 42.2 secs Computing kpt #: 105 total cpu time spent up to now is 42.6 secs Computing kpt #: 106 total cpu time spent up to now is 42.9 secs Computing kpt #: 107 total cpu time spent up to now is 43.3 secs Computing kpt #: 108 total cpu time spent up to now is 43.7 secs Computing kpt #: 109 total cpu time spent up to now is 44.0 secs Computing kpt #: 110 total cpu time spent up to now is 44.4 secs Computing kpt #: 111 total cpu time spent up to now is 44.7 secs Computing kpt #: 112 total cpu time spent up to now is 45.1 secs Computing kpt #: 113 total cpu time spent up to now is 45.5 secs Computing kpt #: 114 total cpu time spent up to now is 45.9 secs Computing kpt #: 115 total cpu time spent up to now is 46.2 secs Computing kpt #: 116 total cpu time spent up to now is 46.6 secs Computing kpt #: 117 total cpu time spent up to now is 47.0 secs Computing kpt #: 118 total cpu time spent up to now is 47.3 secs Computing kpt #: 119 total cpu time spent up to now is 47.7 secs Computing kpt #: 120 total cpu time spent up to now is 48.1 secs Computing kpt #: 121 total cpu time spent up to now is 48.5 secs Computing kpt #: 122 total cpu time spent up to now is 48.9 secs Computing kpt #: 123 total cpu time spent up to now is 49.3 secs Computing kpt #: 124 total cpu time spent up to now is 49.7 secs Computing kpt #: 125 total cpu time spent up to now is 50.1 secs Computing kpt #: 126 total cpu time spent up to now is 50.5 secs Computing kpt #: 127 total cpu time spent up to now is 50.9 secs Computing kpt #: 128 total cpu time spent up to now is 51.4 secs Computing kpt #: 129 total cpu time spent up to now is 51.8 secs Computing kpt #: 130 total cpu time spent up to now is 52.2 secs Computing kpt #: 131 total cpu time spent up to now is 52.6 secs Computing kpt #: 132 total cpu time spent up to now is 53.0 secs Computing kpt #: 133 total cpu time spent up to now is 53.4 secs Computing kpt #: 134 total cpu time spent up to now is 53.8 secs Computing kpt #: 135 total cpu time spent up to now is 54.2 secs Computing kpt #: 136 total cpu time spent up to now is 54.6 secs Computing kpt #: 137 total cpu time spent up to now is 55.0 secs Computing kpt #: 138 total cpu time spent up to now is 55.4 secs Computing kpt #: 139 total cpu time spent up to now is 55.8 secs Computing kpt #: 140 total cpu time spent up to now is 56.2 secs Computing kpt #: 141 total cpu time spent up to now is 56.6 secs Computing kpt #: 142 total cpu time spent up to now is 57.0 secs Computing kpt #: 143 total cpu time spent up to now is 57.4 secs Computing kpt #: 144 total cpu time spent up to now is 57.8 secs Computing kpt #: 145 total cpu time spent up to now is 58.2 secs Computing kpt #: 146 total cpu time spent up to now is 58.6 secs Computing kpt #: 147 total cpu time spent up to now is 58.9 secs Computing kpt #: 148 total cpu time spent up to now is 59.3 secs Computing kpt #: 149 total cpu time spent up to now is 59.7 secs Computing kpt #: 150 total cpu time spent up to now is 60.1 secs Computing kpt #: 151 total cpu time spent up to now is 60.5 secs Computing kpt #: 152 total cpu time spent up to now is 60.8 secs Computing kpt #: 153 total cpu time spent up to now is 61.2 secs Computing kpt #: 154 total cpu time spent up to now is 61.5 secs Computing kpt #: 155 total cpu time spent up to now is 61.9 secs Computing kpt #: 156 total cpu time spent up to now is 62.3 secs Computing kpt #: 157 total cpu time spent up to now is 62.6 secs Computing kpt #: 158 total cpu time spent up to now is 62.9 secs Computing kpt #: 159 total cpu time spent up to now is 63.3 secs Computing kpt #: 160 total cpu time spent up to now is 63.6 secs Computing kpt #: 161 total cpu time spent up to now is 63.9 secs Computing kpt #: 162 total cpu time spent up to now is 64.2 secs Computing kpt #: 163 total cpu time spent up to now is 64.5 secs Computing kpt #: 164 total cpu time spent up to now is 64.9 secs Computing kpt #: 165 total cpu time spent up to now is 65.2 secs Computing kpt #: 166 total cpu time spent up to now is 65.5 secs Computing kpt #: 167 total cpu time spent up to now is 65.9 secs Computing kpt #: 168 total cpu time spent up to now is 66.3 secs Computing kpt #: 169 total cpu time spent up to now is 66.6 secs Computing kpt #: 170 total cpu time spent up to now is 67.0 secs Computing kpt #: 171 total cpu time spent up to now is 67.3 secs Computing kpt #: 172 total cpu time spent up to now is 67.7 secs Computing kpt #: 173 total cpu time spent up to now is 68.1 secs Computing kpt #: 174 total cpu time spent up to now is 68.6 secs Computing kpt #: 175 total cpu time spent up to now is 69.0 secs Computing kpt #: 176 total cpu time spent up to now is 69.4 secs Computing kpt #: 177 total cpu time spent up to now is 69.8 secs Computing kpt #: 178 total cpu time spent up to now is 70.2 secs Computing kpt #: 179 total cpu time spent up to now is 70.6 secs Computing kpt #: 180 total cpu time spent up to now is 70.9 secs Computing kpt #: 181 total cpu time spent up to now is 71.4 secs Computing kpt #: 182 total cpu time spent up to now is 71.7 secs Computing kpt #: 183 total cpu time spent up to now is 72.1 secs Computing kpt #: 184 total cpu time spent up to now is 72.5 secs Computing kpt #: 185 total cpu time spent up to now is 72.9 secs Computing kpt #: 186 total cpu time spent up to now is 73.3 secs Computing kpt #: 187 total cpu time spent up to now is 73.7 secs Computing kpt #: 188 total cpu time spent up to now is 74.1 secs Computing kpt #: 189 total cpu time spent up to now is 74.5 secs Computing kpt #: 190 total cpu time spent up to now is 74.9 secs Computing kpt #: 191 total cpu time spent up to now is 75.3 secs Computing kpt #: 192 total cpu time spent up to now is 75.7 secs Computing kpt #: 193 total cpu time spent up to now is 76.1 secs Computing kpt #: 194 total cpu time spent up to now is 76.5 secs Computing kpt #: 195 total cpu time spent up to now is 76.9 secs Computing kpt #: 196 total cpu time spent up to now is 77.3 secs Computing kpt #: 197 total cpu time spent up to now is 77.7 secs Computing kpt #: 198 total cpu time spent up to now is 78.1 secs Computing kpt #: 199 total cpu time spent up to now is 78.5 secs Computing kpt #: 200 total cpu time spent up to now is 78.9 secs Computing kpt #: 201 total cpu time spent up to now is 79.3 secs Computing kpt #: 202 total cpu time spent up to now is 79.7 secs Computing kpt #: 203 total cpu time spent up to now is 80.1 secs Computing kpt #: 204 total cpu time spent up to now is 80.5 secs Computing kpt #: 205 total cpu time spent up to now is 80.9 secs Computing kpt #: 206 total cpu time spent up to now is 81.3 secs Computing kpt #: 207 total cpu time spent up to now is 81.7 secs Computing kpt #: 208 total cpu time spent up to now is 82.1 secs Computing kpt #: 209 total cpu time spent up to now is 82.4 secs Computing kpt #: 210 total cpu time spent up to now is 82.8 secs Computing kpt #: 211 total cpu time spent up to now is 83.2 secs Computing kpt #: 212 total cpu time spent up to now is 83.6 secs Computing kpt #: 213 total cpu time spent up to now is 84.0 secs Computing kpt #: 214 total cpu time spent up to now is 84.4 secs Computing kpt #: 215 total cpu time spent up to now is 84.8 secs Computing kpt #: 216 total cpu time spent up to now is 85.2 secs Computing kpt #: 217 total cpu time spent up to now is 85.6 secs Computing kpt #: 218 total cpu time spent up to now is 86.0 secs Computing kpt #: 219 total cpu time spent up to now is 86.4 secs Computing kpt #: 220 total cpu time spent up to now is 86.8 secs Computing kpt #: 221 total cpu time spent up to now is 87.2 secs Computing kpt #: 222 total cpu time spent up to now is 87.6 secs Computing kpt #: 223 total cpu time spent up to now is 88.0 secs Computing kpt #: 224 total cpu time spent up to now is 88.4 secs Computing kpt #: 225 total cpu time spent up to now is 88.8 secs Computing kpt #: 226 total cpu time spent up to now is 89.2 secs Computing kpt #: 227 total cpu time spent up to now is 89.6 secs Computing kpt #: 228 total cpu time spent up to now is 89.9 secs Computing kpt #: 229 total cpu time spent up to now is 90.4 secs Computing kpt #: 230 total cpu time spent up to now is 90.8 secs Computing kpt #: 231 total cpu time spent up to now is 91.1 secs Computing kpt #: 232 total cpu time spent up to now is 91.5 secs Computing kpt #: 233 total cpu time spent up to now is 91.9 secs Computing kpt #: 234 total cpu time spent up to now is 92.3 secs Computing kpt #: 235 total cpu time spent up to now is 92.6 secs Computing kpt #: 236 total cpu time spent up to now is 93.0 secs Computing kpt #: 237 total cpu time spent up to now is 93.4 secs Computing kpt #: 238 total cpu time spent up to now is 93.7 secs Computing kpt #: 239 total cpu time spent up to now is 94.1 secs Computing kpt #: 240 total cpu time spent up to now is 94.5 secs Computing kpt #: 241 total cpu time spent up to now is 94.8 secs Computing kpt #: 242 total cpu time spent up to now is 95.2 secs Computing kpt #: 243 total cpu time spent up to now is 95.5 secs Computing kpt #: 244 total cpu time spent up to now is 95.9 secs Computing kpt #: 245 total cpu time spent up to now is 96.3 secs Computing kpt #: 246 total cpu time spent up to now is 96.7 secs Computing kpt #: 247 total cpu time spent up to now is 97.1 secs Computing kpt #: 248 total cpu time spent up to now is 97.4 secs Computing kpt #: 249 total cpu time spent up to now is 97.8 secs Computing kpt #: 250 total cpu time spent up to now is 98.2 secs Computing kpt #: 251 total cpu time spent up to now is 98.5 secs Computing kpt #: 252 total cpu time spent up to now is 98.9 secs Computing kpt #: 253 total cpu time spent up to now is 99.3 secs Computing kpt #: 254 total cpu time spent up to now is 99.7 secs Computing kpt #: 255 total cpu time spent up to now is 100.1 secs Computing kpt #: 256 total cpu time spent up to now is 100.5 secs Computing kpt #: 257 total cpu time spent up to now is 100.9 secs Computing kpt #: 258 total cpu time spent up to now is 101.4 secs Computing kpt #: 259 total cpu time spent up to now is 101.8 secs Computing kpt #: 260 total cpu time spent up to now is 102.2 secs Computing kpt #: 261 total cpu time spent up to now is 102.6 secs Computing kpt #: 262 total cpu time spent up to now is 103.1 secs Computing kpt #: 263 total cpu time spent up to now is 103.5 secs Computing kpt #: 264 total cpu time spent up to now is 103.9 secs Computing kpt #: 265 total cpu time spent up to now is 104.3 secs Computing kpt #: 266 total cpu time spent up to now is 104.6 secs Computing kpt #: 267 total cpu time spent up to now is 105.0 secs Computing kpt #: 268 total cpu time spent up to now is 105.5 secs Computing kpt #: 269 total cpu time spent up to now is 105.9 secs Computing kpt #: 270 total cpu time spent up to now is 106.4 secs Computing kpt #: 271 total cpu time spent up to now is 106.9 secs Computing kpt #: 272 total cpu time spent up to now is 107.3 secs Computing kpt #: 273 total cpu time spent up to now is 107.8 secs Computing kpt #: 274 total cpu time spent up to now is 108.3 secs Computing kpt #: 275 total cpu time spent up to now is 108.7 secs Computing kpt #: 276 total cpu time spent up to now is 109.2 secs Computing kpt #: 277 total cpu time spent up to now is 109.6 secs Computing kpt #: 278 total cpu time spent up to now is 110.0 secs Computing kpt #: 279 total cpu time spent up to now is 110.4 secs Computing kpt #: 280 total cpu time spent up to now is 110.8 secs Computing kpt #: 281 total cpu time spent up to now is 111.2 secs Computing kpt #: 282 total cpu time spent up to now is 111.6 secs Computing kpt #: 283 total cpu time spent up to now is 112.0 secs Computing kpt #: 284 total cpu time spent up to now is 112.5 secs Computing kpt #: 285 total cpu time spent up to now is 112.9 secs Computing kpt #: 286 total cpu time spent up to now is 113.3 secs Computing kpt #: 287 total cpu time spent up to now is 113.7 secs Computing kpt #: 288 total cpu time spent up to now is 114.1 secs Computing kpt #: 289 total cpu time spent up to now is 114.5 secs Computing kpt #: 290 total cpu time spent up to now is 114.9 secs Computing kpt #: 291 total cpu time spent up to now is 115.4 secs Computing kpt #: 292 total cpu time spent up to now is 115.8 secs Computing kpt #: 293 total cpu time spent up to now is 116.2 secs Computing kpt #: 294 total cpu time spent up to now is 116.6 secs Computing kpt #: 295 total cpu time spent up to now is 117.0 secs Computing kpt #: 296 total cpu time spent up to now is 117.4 secs Computing kpt #: 297 total cpu time spent up to now is 117.8 secs Computing kpt #: 298 total cpu time spent up to now is 118.2 secs Computing kpt #: 299 total cpu time spent up to now is 118.6 secs Computing kpt #: 300 total cpu time spent up to now is 119.0 secs Computing kpt #: 301 total cpu time spent up to now is 119.4 secs Computing kpt #: 302 total cpu time spent up to now is 119.7 secs Computing kpt #: 303 total cpu time spent up to now is 120.2 secs Computing kpt #: 304 total cpu time spent up to now is 120.5 secs Computing kpt #: 305 total cpu time spent up to now is 120.9 secs Computing kpt #: 306 total cpu time spent up to now is 121.3 secs Computing kpt #: 307 total cpu time spent up to now is 121.7 secs Computing kpt #: 308 total cpu time spent up to now is 122.2 secs Computing kpt #: 309 total cpu time spent up to now is 122.6 secs Computing kpt #: 310 total cpu time spent up to now is 123.0 secs Computing kpt #: 311 total cpu time spent up to now is 123.4 secs Computing kpt #: 312 total cpu time spent up to now is 123.8 secs Computing kpt #: 313 total cpu time spent up to now is 124.2 secs Computing kpt #: 314 total cpu time spent up to now is 124.6 secs Computing kpt #: 315 total cpu time spent up to now is 125.0 secs Computing kpt #: 316 total cpu time spent up to now is 125.4 secs Computing kpt #: 317 total cpu time spent up to now is 125.8 secs Computing kpt #: 318 total cpu time spent up to now is 126.2 secs Computing kpt #: 319 total cpu time spent up to now is 126.6 secs Computing kpt #: 320 total cpu time spent up to now is 126.9 secs Computing kpt #: 321 total cpu time spent up to now is 127.4 secs Computing kpt #: 322 total cpu time spent up to now is 127.8 secs Computing kpt #: 323 total cpu time spent up to now is 128.2 secs Computing kpt #: 324 total cpu time spent up to now is 128.6 secs Computing kpt #: 325 total cpu time spent up to now is 128.9 secs Computing kpt #: 326 total cpu time spent up to now is 129.3 secs Computing kpt #: 327 total cpu time spent up to now is 129.7 secs Computing kpt #: 328 total cpu time spent up to now is 130.0 secs Computing kpt #: 329 total cpu time spent up to now is 130.4 secs Computing kpt #: 330 total cpu time spent up to now is 130.7 secs Computing kpt #: 331 total cpu time spent up to now is 131.1 secs Computing kpt #: 332 total cpu time spent up to now is 131.4 secs Computing kpt #: 333 total cpu time spent up to now is 131.8 secs Computing kpt #: 334 total cpu time spent up to now is 132.2 secs Computing kpt #: 335 total cpu time spent up to now is 132.6 secs Computing kpt #: 336 total cpu time spent up to now is 133.0 secs Computing kpt #: 337 total cpu time spent up to now is 133.3 secs Computing kpt #: 338 total cpu time spent up to now is 133.7 secs Computing kpt #: 339 total cpu time spent up to now is 134.0 secs Computing kpt #: 340 total cpu time spent up to now is 134.4 secs Computing kpt #: 341 total cpu time spent up to now is 134.8 secs Computing kpt #: 342 total cpu time spent up to now is 135.2 secs Computing kpt #: 343 total cpu time spent up to now is 135.5 secs Computing kpt #: 344 total cpu time spent up to now is 135.9 secs Computing kpt #: 345 total cpu time spent up to now is 136.3 secs Computing kpt #: 346 total cpu time spent up to now is 136.7 secs Computing kpt #: 347 total cpu time spent up to now is 137.1 secs Computing kpt #: 348 total cpu time spent up to now is 137.5 secs Computing kpt #: 349 total cpu time spent up to now is 137.8 secs Computing kpt #: 350 total cpu time spent up to now is 138.1 secs Computing kpt #: 351 total cpu time spent up to now is 138.5 secs Computing kpt #: 352 total cpu time spent up to now is 138.9 secs Computing kpt #: 353 total cpu time spent up to now is 139.2 secs Computing kpt #: 354 total cpu time spent up to now is 139.5 secs Computing kpt #: 355 total cpu time spent up to now is 139.9 secs Computing kpt #: 356 total cpu time spent up to now is 140.2 secs ethr = 3.33E-08, avg # of iterations = 14.3 total cpu time spent up to now is 140.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -67.4241 -67.4241 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4357 -0.4357 7.9501 7.9501 8.1915 8.1915 8.1915 8.1915 8.6496 8.6496 8.6496 8.6496 9.1192 9.1192 9.1192 9.1192 9.1582 9.1582 11.0180 11.0180 11.0180 11.0180 13.2516 13.2516 14.1893 14.1893 14.6936 14.6936 14.6936 14.6936 k = 0.0093-0.0053 0.0076 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4344 -0.4344 7.9483 7.9483 8.1872 8.1872 8.1922 8.1922 8.6482 8.6482 8.6548 8.6548 9.1173 9.1173 9.1200 9.1200 9.1577 9.1577 11.0172 11.0172 11.0182 11.0182 13.2502 13.2502 14.1884 14.1884 14.6875 14.6875 14.6955 14.6955 k = 0.0185-0.0107 0.0151 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4306 -0.4306 7.9428 7.9428 8.1760 8.1760 8.1930 8.1930 8.6487 8.6487 8.6650 8.6650 9.1142 9.1142 9.1201 9.1201 9.1565 9.1565 11.0157 11.0157 11.0178 11.0178 13.2461 13.2461 14.1851 14.1851 14.6696 14.6696 14.7017 14.7017 k = 0.0278-0.0160 0.0227 ( 4263 PWs) bands (ev): -67.4222 -67.4222 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.4242 -0.4242 7.9341 7.9341 8.1612 8.1612 8.1973 8.1973 8.6508 8.6508 8.6822 8.6822 9.1099 9.1099 9.1199 9.1199 9.1546 9.1546 11.0159 11.0159 11.0261 11.0261 13.2396 13.2396 14.1816 14.1816 14.6449 14.6449 14.7149 14.7149 k = 0.0370-0.0214 0.0302 ( 4231 PWs) bands (ev): -67.4185 -67.4185 -37.2111 -37.2111 -36.0106 -36.0106 -36.0105 -36.0105 -0.4151 -0.4151 7.9226 7.9226 8.1487 8.1487 8.2076 8.2076 8.6546 8.6546 8.7013 8.7013 9.1047 9.1047 9.1196 9.1196 9.1523 9.1523 11.0193 11.0193 11.0253 11.0253 13.2316 13.2316 14.1809 14.1809 14.6185 14.6185 14.7405 14.7405 k = 0.0463-0.0267 0.0378 ( 4231 PWs) bands (ev): -67.4185 -67.4185 -37.2111 -37.2111 -36.0106 -36.0106 -36.0105 -36.0105 -0.4037 -0.4037 7.8981 7.8981 8.1314 8.1314 8.2100 8.2100 8.6579 8.6579 8.7220 8.7220 9.0972 9.0972 9.1179 9.1179 9.1491 9.1491 11.0158 11.0158 11.0223 11.0223 13.2213 13.2213 14.1598 14.1598 14.5681 14.5681 14.7674 14.7674 k = 0.0556-0.0321 0.0454 ( 4223 PWs) bands (ev): -67.4176 -67.4176 -37.2111 -37.2111 -36.0106 -36.0106 -36.0105 -36.0105 -0.3898 -0.3898 7.8670 7.8670 8.1186 8.1186 8.2143 8.2143 8.6619 8.6619 8.7446 8.7446 9.0885 9.0885 9.1160 9.1160 9.1457 9.1457 11.0119 11.0119 11.0191 11.0191 13.2107 13.2107 14.1319 14.1319 14.5112 14.5112 14.8065 14.8065 k = 0.0648-0.0374 0.0529 ( 4224 PWs) bands (ev): -67.4178 -67.4178 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3734 -0.3734 7.8259 7.8259 8.1078 8.1078 8.2177 8.2177 8.6666 8.6666 8.7669 8.7669 9.0781 9.0781 9.1135 9.1135 9.1418 9.1418 11.0063 11.0063 11.0139 11.0139 13.1979 13.1979 14.0918 14.0918 14.4442 14.4442 14.8504 14.8504 k = 0.0741-0.0428 0.0605 ( 4216 PWs) bands (ev): -67.4168 -67.4168 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3545 -0.3545 7.7777 7.7777 8.1013 8.1013 8.2225 8.2225 8.6734 8.6734 8.7896 8.7896 9.0665 9.0665 9.1108 9.1108 9.1376 9.1376 11.0033 11.0033 11.0139 11.0139 13.1840 13.1840 14.0442 14.0442 14.3717 14.3717 14.9008 14.9008 k = 0.0833-0.0481 0.0680 ( 4208 PWs) bands (ev): -67.4159 -67.4159 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3331 -0.3331 7.7238 7.7238 8.0983 8.0983 8.2286 8.2286 8.6794 8.6794 8.8123 8.8123 9.0538 9.0538 9.1081 9.1081 9.1332 9.1332 10.9998 10.9998 11.0099 11.0099 13.1693 13.1693 13.9894 13.9894 14.2943 14.2943 14.9550 14.9550 k = 0.0926-0.0535 0.0756 ( 4200 PWs) bands (ev): -67.4150 -67.4150 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.3093 -0.3093 7.6650 7.6650 8.0982 8.0982 8.2358 8.2358 8.6863 8.6863 8.8335 8.8335 9.0401 9.0401 9.1053 9.1053 9.1286 9.1286 10.9930 10.9930 11.0050 11.0050 13.1536 13.1536 13.9288 13.9288 14.2130 14.2130 15.0089 15.0089 k = 0.1019-0.0588 0.0832 ( 4200 PWs) bands (ev): -67.4150 -67.4150 -37.2113 -37.2113 -36.0107 -36.0107 -36.0106 -36.0106 -0.2832 -0.2832 7.6022 7.6022 8.0980 8.0980 8.2415 8.2415 8.6934 8.6934 8.8532 8.8532 9.0256 9.0256 9.1023 9.1023 9.1236 9.1236 10.9835 10.9835 10.9981 10.9981 13.1367 13.1367 13.8587 13.8587 14.1243 14.1243 15.0579 15.0579 k = 0.1111-0.0642 0.0907 ( 4188 PWs) bands (ev): -67.4136 -67.4136 -37.2113 -37.2113 -36.0108 -36.0108 -36.0106 -36.0106 -0.2546 -0.2546 7.5380 7.5380 8.1013 8.1013 8.2500 8.2500 8.7014 8.7014 8.8722 8.8722 9.0109 9.0109 9.0999 9.0999 9.1185 9.1185 10.9741 10.9741 10.9930 10.9930 13.1213 13.1213 13.7873 13.7873 14.0357 14.0357 15.0980 15.0980 k = 0.1204-0.0695 0.0983 ( 4196 PWs) bands (ev): -67.4146 -67.4146 -37.2114 -37.2114 -36.0109 -36.0109 -36.0107 -36.0107 -0.2238 -0.2238 7.4697 7.4697 8.1026 8.1026 8.2558 8.2558 8.7093 8.7093 8.8877 8.8877 8.9954 8.9954 9.0969 9.0969 9.1131 9.1131 10.9559 10.9559 10.9845 10.9845 13.1019 13.1019 13.7065 13.7065 13.9393 13.9393 15.1206 15.1206 k = 0.1296-0.0748 0.1058 ( 4208 PWs) bands (ev): -67.4160 -67.4160 -37.2114 -37.2114 -36.0110 -36.0110 -36.0107 -36.0107 -0.1907 -0.1907 7.3996 7.3996 8.1039 8.1039 8.2612 8.2612 8.7172 8.7172 8.9008 8.9008 8.9801 8.9801 9.0941 9.0941 9.1074 9.1074 10.9357 10.9357 10.9751 10.9751 13.0805 13.0805 13.6207 13.6207 13.8392 13.8392 15.1222 15.1222 k = 0.1389-0.0802 0.1134 ( 4212 PWs) bands (ev): -67.4164 -67.4164 -37.2115 -37.2115 -36.0111 -36.0111 -36.0108 -36.0108 -0.1554 -0.1554 7.3287 7.3287 8.1072 8.1072 8.2683 8.2683 8.7253 8.7253 8.9114 8.9114 8.9665 8.9665 9.0925 9.0925 9.1016 9.1016 10.9188 10.9188 10.9658 10.9658 13.0573 13.0573 13.5341 13.5341 13.7393 13.7393 15.0999 15.0999 k = 0.1481-0.0855 0.1210 ( 4212 PWs) bands (ev): -67.4164 -67.4164 -37.2115 -37.2115 -36.0112 -36.0112 -36.0108 -36.0108 -0.1178 -0.1178 7.2571 7.2571 8.1119 8.1119 8.2769 8.2769 8.7332 8.7332 8.9163 8.9163 8.9574 8.9574 9.0921 9.0921 9.0959 9.0959 10.9023 10.9023 10.9563 10.9563 13.0316 13.0316 13.4467 13.4467 13.6393 13.6393 15.0539 15.0539 k = 0.1574-0.0909 0.1285 ( 4208 PWs) bands (ev): -67.4160 -67.4160 -37.2116 -37.2116 -36.0113 -36.0113 -36.0109 -36.0109 -0.0781 -0.0781 7.1853 7.1853 8.1175 8.1175 8.2863 8.2863 8.7403 8.7403 8.9129 8.9129 8.9559 8.9559 9.0901 9.0901 9.0934 9.0934 10.8877 10.8877 10.9464 10.9464 13.0030 13.0030 13.3583 13.3583 13.5390 13.5390 14.9874 14.9874 k = 0.1667-0.0962 0.1361 ( 4216 PWs) bands (ev): -67.4169 -67.4169 -37.2117 -37.2117 -36.0114 -36.0114 -36.0109 -36.0109 -0.0364 -0.0364 7.1129 7.1129 8.1216 8.1216 8.2941 8.2941 8.7459 8.7459 8.9042 8.9042 8.9574 8.9574 9.0842 9.0842 9.0951 9.0951 10.8671 10.8671 10.9349 10.9349 12.9696 12.9696 13.2651 13.2651 13.4345 13.4345 14.9047 14.9047 k = 0.1759-0.1016 0.1436 ( 4196 PWs) bands (ev): -67.4146 -67.4146 -37.2117 -37.2117 -36.0114 -36.0114 -36.0109 -36.0109 0.0074 0.0074 7.0418 7.0418 8.1316 8.1316 8.3083 8.3083 8.7500 8.7500 8.8958 8.8958 8.9611 8.9611 9.0790 9.0790 9.0996 9.0996 10.8483 10.8483 10.9291 10.9291 12.9351 12.9351 13.1813 13.1813 13.3393 13.3393 14.8119 14.8119 k = 0.1852-0.1069 0.1512 ( 4192 PWs) bands (ev): -67.4142 -67.4142 -37.2117 -37.2117 -36.0115 -36.0115 -36.0110 -36.0110 0.0531 0.0531 6.9703 6.9703 8.1399 8.1399 8.3207 8.3207 8.7501 8.7501 8.8894 8.8894 8.9626 8.9626 9.0737 9.0737 9.1040 9.1040 10.8236 10.8236 10.9175 10.9175 12.8930 12.8930 13.0933 13.0933 13.2401 13.2401 14.7130 14.7130 k = 0.1944-0.1123 0.1588 ( 4200 PWs) bands (ev): -67.4151 -67.4151 -37.2118 -37.2118 -36.0116 -36.0116 -36.0110 -36.0110 0.1006 0.1006 6.8992 6.8992 8.1459 8.1459 8.3305 8.3305 8.7458 8.7458 8.8863 8.8863 8.9624 8.9624 9.0682 9.0682 9.1088 9.1088 10.7983 10.7983 10.9020 10.9020 12.8431 12.8431 13.0009 13.0009 13.1364 13.1364 14.6127 14.6127 k = 0.2037-0.1176 0.1663 ( 4208 PWs) bands (ev): -67.4161 -67.4161 -37.2119 -37.2119 -36.0118 -36.0118 -36.0111 -36.0111 0.1499 0.1499 6.8289 6.8289 8.1521 8.1521 8.3407 8.3407 8.7375 8.7375 8.8875 8.8875 8.9608 8.9608 9.0629 9.0629 9.1138 9.1138 10.7711 10.7711 10.8872 10.8872 12.7854 12.7854 12.9095 12.9095 13.0329 13.0329 14.5141 14.5141 k = 0.2130-0.1230 0.1739 ( 4204 PWs) bands (ev): -67.4157 -67.4157 -37.2120 -37.2120 -36.0119 -36.0119 -36.0111 -36.0111 0.2009 0.2009 6.7599 6.7599 8.1615 8.1615 8.3544 8.3544 8.7256 8.7256 8.8931 8.8931 8.9590 8.9590 9.0586 9.0586 9.1186 9.1186 10.7398 10.7398 10.8769 10.8769 12.7211 12.7211 12.8245 12.8245 12.9353 12.9353 14.4200 14.4200 k = 0.2222-0.1283 0.1814 ( 4204 PWs) bands (ev): -67.4157 -67.4157 -37.2120 -37.2120 -36.0120 -36.0120 -36.0112 -36.0112 0.2534 0.2534 6.6923 6.6923 8.1703 8.1703 8.3675 8.3675 8.7110 8.7110 8.9010 8.9010 8.9562 8.9562 9.0545 9.0545 9.1233 9.1233 10.7086 10.7086 10.8634 10.8634 12.6491 12.6491 12.7391 12.7391 12.8366 12.8366 14.3326 14.3326 k = 0.2315-0.1336 0.1890 ( 4204 PWs) bands (ev): -67.4158 -67.4158 -37.2121 -37.2121 -36.0121 -36.0121 -36.0113 -36.0113 0.3074 0.3074 6.6262 6.6262 8.1794 8.1794 8.3812 8.3812 8.6944 8.6944 8.9107 8.9107 8.9531 8.9531 9.0510 9.0510 9.1272 9.1272 10.6752 10.6752 10.8495 10.8495 12.5709 12.5709 12.6544 12.6544 12.7392 12.7392 14.2529 14.2529 k = 0.2407-0.1390 0.1966 ( 4204 PWs) bands (ev): -67.4158 -67.4158 -37.2122 -37.2122 -36.0122 -36.0122 -36.0113 -36.0113 0.3628 0.3628 6.5618 6.5618 8.1890 8.1890 8.3953 8.3953 8.6766 8.6766 8.9211 8.9211 8.9500 8.9500 9.0484 9.0484 9.1298 9.1298 10.6395 10.6395 10.8353 10.8353 12.4886 12.4886 12.5689 12.5689 12.6432 12.6432 14.1817 14.1817 k = 0.2500-0.1443 0.2041 ( 4208 PWs) bands (ev): -67.4163 -67.4163 -37.2123 -37.2123 -36.0123 -36.0123 -36.0114 -36.0114 0.4194 0.4194 6.4991 6.4991 8.1983 8.1983 8.4093 8.4093 8.6580 8.6580 8.9304 8.9304 8.9478 8.9478 9.0468 9.0468 9.1307 9.1307 10.6015 10.6015 10.8182 10.8182 12.4034 12.4034 12.4815 12.4815 12.5477 12.5477 14.1190 14.1190 k = 0.2593-0.1497 0.2117 ( 4188 PWs) bands (ev): -67.4140 -67.4140 -37.2123 -37.2123 -36.0124 -36.0124 -36.0114 -36.0114 0.4771 0.4771 6.4396 6.4396 8.2108 8.2108 8.4271 8.4271 8.6393 8.6393 8.9363 8.9363 8.9512 8.9512 9.0474 9.0474 9.1321 9.1321 10.5621 10.5621 10.8086 10.8086 12.3236 12.3236 12.3982 12.3982 12.4597 12.4597 14.0691 14.0691 k = 0.2685-0.1550 0.2192 ( 4172 PWs) bands (ev): -67.4121 -67.4121 -37.2123 -37.2123 -36.0124 -36.0124 -36.0113 -36.0113 0.5357 0.5357 6.3823 6.3823 8.2213 8.2213 8.4427 8.4427 8.6209 8.6209 8.9357 8.9357 8.9598 8.9598 9.0497 9.0497 9.1323 9.1323 10.5216 10.5216 10.8002 10.8002 12.2409 12.2409 12.3136 12.3136 12.3694 12.3694 14.0293 14.0293 k = 0.2778-0.1604 0.2268 ( 4172 PWs) bands (ev): -67.4121 -67.4121 -37.2124 -37.2124 -36.0126 -36.0126 -36.0114 -36.0114 0.5951 0.5951 6.3256 6.3257 8.2319 8.2319 8.4584 8.4584 8.6016 8.6016 8.9329 8.9329 8.9680 8.9680 9.0541 9.0541 9.1264 9.1264 10.4770 10.4770 10.7849 10.7849 12.1571 12.1571 12.2251 12.2251 12.2793 12.2793 13.9908 13.9908 k = 0.2870-0.1657 0.2344 ( 4160 PWs) bands (ev): -67.4108 -67.4108 -37.2124 -37.2124 -36.0126 -36.0126 -36.0114 -36.0114 0.6551 0.6551 6.2720 6.2720 8.2431 8.2431 8.4749 8.4749 8.5838 8.5838 8.9303 8.9303 8.9751 8.9751 9.0611 9.0611 9.1197 9.1197 10.4350 10.4350 10.7696 10.7696 12.0771 12.0771 12.1426 12.1426 12.1935 12.1935 13.9584 13.9584 k = 0.2963-0.1711 0.2419 ( 4164 PWs) bands (ev): -67.4112 -67.4112 -37.2125 -37.2125 -36.0127 -36.0127 -36.0115 -36.0115 0.7154 0.7154 6.2198 6.2198 8.2533 8.2533 8.4902 8.4902 8.5648 8.5648 8.9273 8.9273 8.9802 8.9802 9.0704 9.0704 9.1068 9.1068 10.3867 10.3867 10.7541 10.7541 11.9950 11.9950 12.0569 12.0569 12.1064 12.1064 13.9307 13.9307 k = 0.3056-0.1764 0.2495 ( 4172 PWs) bands (ev): -67.4122 -67.4122 -37.2126 -37.2126 -36.0128 -36.0128 -36.0116 -36.0116 0.7759 0.7759 6.1698 6.1698 8.2631 8.2631 8.5048 8.5048 8.5463 8.5463 8.9244 8.9244 8.9836 8.9836 9.0792 9.0793 9.0917 9.0917 10.3382 10.3382 10.7382 10.7382 11.9135 11.9135 11.9731 11.9731 12.0215 12.0215 13.9053 13.9053 k = 0.3148-0.1818 0.2570 ( 4176 PWs) bands (ev): -67.4127 -67.4127 -37.2127 -37.2127 -36.0130 -36.0130 -36.0116 -36.0116 0.8364 0.8364 6.1226 6.1226 8.2740 8.2740 8.5189 8.5189 8.5295 8.5295 8.9224 8.9224 8.9858 8.9858 9.0651 9.0651 9.0976 9.0976 10.2891 10.2891 10.7225 10.7225 11.8359 11.8359 11.8925 11.8925 11.9407 11.9407 13.8863 13.8863 k = 0.3241-0.1871 0.2646 ( 4168 PWs) bands (ev): -67.4118 -67.4118 -37.2127 -37.2127 -36.0130 -36.0130 -36.0116 -36.0116 0.8967 0.8967 6.0785 6.0785 8.2857 8.2857 8.5087 8.5087 8.5392 8.5392 8.9214 8.9214 8.9869 8.9869 9.0416 9.0416 9.1121 9.1121 10.2424 10.2424 10.7099 10.7099 11.7634 11.7634 11.8177 11.8177 11.8673 11.8673 13.8726 13.8726 k = 0.3333-0.1925 0.2722 ( 4160 PWs) bands (ev): -67.4109 -67.4109 -37.2128 -37.2128 -36.0131 -36.0131 -36.0117 -36.0117 0.9565 0.9565 6.0372 6.0372 8.2972 8.2972 8.4918 8.4918 8.5554 8.5554 8.9206 8.9206 8.9836 8.9836 9.0180 9.0180 9.1274 9.1274 10.1978 10.1978 10.6953 10.6953 11.6925 11.6925 11.7451 11.7451 11.7996 11.7996 13.8642 13.8642 k = 0.3426-0.1978 0.2797 ( 4160 PWs) bands (ev): -67.4109 -67.4109 -37.2128 -37.2128 -36.0132 -36.0132 -36.0117 -36.0117 1.0156 1.0156 5.9981 5.9981 8.3077 8.3077 8.4751 8.4751 8.5706 8.5706 8.9181 8.9181 8.9643 8.9643 9.0055 9.0055 9.1430 9.1430 10.1559 10.1559 10.6799 10.6799 11.6216 11.6216 11.6725 11.6725 11.7366 11.7366 13.8538 13.8538 k = 0.3519-0.2031 0.2873 ( 4168 PWs) bands (ev): -67.4118 -67.4118 -37.2129 -37.2129 -36.0133 -36.0133 -36.0118 -36.0118 1.0736 1.0736 5.9616 5.9616 8.3170 8.3170 8.4589 8.4589 8.5839 8.5839 8.9037 8.9037 8.9402 8.9402 9.0039 9.0039 9.1586 9.1586 10.1174 10.1174 10.6633 10.6633 11.5496 11.5496 11.5986 11.5986 11.6795 11.6795 13.8439 13.8439 k = 0.3611-0.2085 0.2948 ( 4172 PWs) bands (ev): -67.4123 -67.4123 -37.2130 -37.2130 -36.0134 -36.0134 -36.0119 -36.0119 1.1303 1.1303 5.9283 5.9283 8.3270 8.3270 8.4433 8.4433 8.5978 8.5978 8.8653 8.8653 8.9348 8.9348 9.0057 9.0057 9.1738 9.1738 10.0830 10.0830 10.6415 10.6415 11.4835 11.4835 11.5297 11.5297 11.6297 11.6297 13.8362 13.8362 k = 0.3704-0.2138 0.3024 ( 4172 PWs) bands (ev): -67.4123 -67.4123 -37.2130 -37.2130 -36.0135 -36.0135 -36.0119 -36.0119 1.1855 1.1855 5.8975 5.8975 8.3365 8.3365 8.4285 8.4285 8.6107 8.6107 8.8160 8.8160 8.9366 8.9366 9.0086 9.0086 9.1894 9.1894 10.0525 10.0525 10.6269 10.6269 11.4203 11.4203 11.4633 11.4633 11.5847 11.5847 13.8307 13.8307 k = 0.3796-0.2192 0.3100 ( 4180 PWs) bands (ev): -67.4132 -67.4132 -37.2131 -37.2131 -36.0136 -36.0136 -36.0119 -36.0119 1.2388 1.2388 5.8688 5.8688 8.3454 8.3454 8.4134 8.4134 8.6221 8.6221 8.7615 8.7615 8.9407 8.9407 9.0120 9.0120 9.2047 9.2047 10.0259 10.0259 10.6127 10.6127 11.3591 11.3591 11.3987 11.3987 11.5376 11.5376 13.8265 13.8265 k = 0.3889-0.2245 0.3175 ( 4204 PWs) bands (ev): -67.4160 -67.4160 -37.2132 -37.2132 -36.0138 -36.0138 -36.0120 -36.0120 1.2897 1.2897 5.8426 5.8426 8.3521 8.3521 8.3988 8.3988 8.6294 8.6294 8.7044 8.7044 8.9452 8.9452 9.0149 9.0149 9.2190 9.2190 10.0031 10.0031 10.5927 10.5927 11.2951 11.2951 11.3318 11.3318 11.4938 11.4938 13.8198 13.8198 k = 0.3981-0.2299 0.3251 ( 4196 PWs) bands (ev): -67.4151 -67.4151 -37.2132 -37.2132 -36.0138 -36.0138 -36.0120 -36.0120 1.3383 1.3383 5.8202 5.8202 8.3608 8.3608 8.3862 8.3862 8.6305 8.6305 8.6577 8.6577 8.9528 8.9528 9.0195 9.0195 9.2333 9.2333 9.9842 9.9842 10.5802 10.5802 11.2452 11.2452 11.2784 11.2784 11.4620 11.4620 13.8192 13.8192 k = 0.4074-0.2352 0.3326 ( 4196 PWs) bands (ev): -67.4151 -67.4151 -37.2133 -37.2133 -36.0139 -36.0139 -36.0121 -36.0121 1.3840 1.3840 5.8002 5.8002 8.3675 8.3675 8.3744 8.3744 8.5855 8.5855 8.6546 8.6546 8.9607 8.9607 9.0239 9.0239 9.2467 9.2467 9.9683 9.9683 10.5678 10.5678 11.1952 11.1952 11.2254 11.2254 11.4336 11.4336 13.8173 13.8173 k = 0.4167-0.2406 0.3402 ( 4192 PWs) bands (ev): -67.4147 -67.4147 -37.2133 -37.2133 -36.0139 -36.0139 -36.0121 -36.0121 1.4265 1.4265 5.7830 5.7830 8.3628 8.3628 8.3741 8.3741 8.5324 8.5324 8.6608 8.6608 8.9693 8.9693 9.0283 9.0283 9.2593 9.2593 9.9553 9.9553 10.5562 10.5562 11.1492 11.1492 11.1765 11.1765 11.4133 11.4133 13.8159 13.8159 k = 0.4259-0.2459 0.3478 ( 4192 PWs) bands (ev): -67.4147 -67.4147 -37.2133 -37.2133 -36.0140 -36.0140 -36.0121 -36.0121 1.4655 1.4655 5.7681 5.7681 8.3517 8.3517 8.3780 8.3780 8.4824 8.4824 8.6664 8.6664 8.9782 8.9782 9.0324 9.0324 9.2709 9.2709 9.9446 9.9446 10.5455 10.5455 11.1061 11.1061 11.1309 11.1309 11.3945 11.3945 13.8138 13.8138 k = 0.4352-0.2513 0.3553 ( 4184 PWs) bands (ev): -67.4138 -67.4138 -37.2133 -37.2133 -36.0140 -36.0140 -36.0121 -36.0121 1.5008 1.5008 5.7553 5.7553 8.3399 8.3399 8.3790 8.3790 8.4423 8.4423 8.6720 8.6720 8.9878 8.9878 9.0366 9.0366 9.2815 9.2815 9.9361 9.9361 10.5381 10.5381 11.0701 11.0701 11.0926 11.0926 11.3769 11.3769 13.8177 13.8177 k = 0.4444-0.2566 0.3629 ( 4184 PWs) bands (ev): -67.4139 -67.4139 -37.2134 -37.2134 -36.0141 -36.0141 -36.0121 -36.0121 1.5321 1.5321 5.7443 5.7443 8.3252 8.3252 8.3719 8.3719 8.4178 8.4178 8.6754 8.6754 8.9966 8.9966 9.0397 9.0397 9.2908 9.2908 9.9294 9.9294 10.5294 10.5294 11.0339 11.0339 11.0546 11.0546 11.3608 11.3608 13.8249 13.8249 k = 0.4537-0.2619 0.3704 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2134 -37.2134 -36.0141 -36.0141 -36.0122 -36.0122 1.5590 1.5590 5.7352 5.7352 8.3038 8.3038 8.3579 8.3579 8.4095 8.4095 8.6779 8.6779 9.0049 9.0049 9.0422 9.0422 9.2989 9.2989 9.9240 9.9240 10.5214 10.5214 11.0012 11.0012 11.0207 11.0207 11.3462 11.3462 13.8234 13.8234 k = 0.4630-0.2673 0.3780 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.5813 1.5813 5.7282 5.7282 8.2792 8.2792 8.3470 8.3470 8.4089 8.4089 8.6806 8.6806 9.0129 9.0129 9.0445 9.0445 9.3056 9.3056 9.9199 9.9199 10.5151 10.5151 10.9772 10.9772 10.9957 10.9957 11.3355 11.3355 13.8232 13.8232 k = 0.4722-0.2726 0.3856 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0141 -36.0141 -36.0122 -36.0122 1.5989 1.5989 5.7235 5.7235 8.2567 8.2567 8.3404 8.3404 8.4104 8.4104 8.6834 8.6834 9.0202 9.0202 9.0464 9.0464 9.3110 9.3110 9.9169 9.9169 10.5105 10.5105 10.9609 10.9609 10.9788 10.9788 11.3313 11.3313 13.8234 13.8234 k = 0.4815-0.2780 0.3931 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.6116 1.6116 5.7198 5.7198 8.2391 8.2391 8.3360 8.3360 8.4115 8.4115 8.6847 8.6847 9.0258 9.0258 9.0471 9.0471 9.3148 9.3148 9.9148 9.9148 10.5069 10.5069 10.9472 10.9472 10.9648 10.9648 11.3254 11.3254 13.8233 13.8233 k = 0.4907-0.2833 0.4007 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.6193 1.6193 5.7176 5.7176 8.2281 8.2281 8.3335 8.3335 8.4123 8.4123 8.6856 8.6856 9.0295 9.0295 9.0472 9.0472 9.3171 9.3171 9.9136 9.9136 10.5047 10.5047 10.9389 10.9389 10.9563 10.9563 11.3219 11.3219 13.8233 13.8233 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.6218 1.6218 5.7169 5.7169 8.2243 8.2243 8.3327 8.3327 8.4125 8.4125 8.6858 8.6858 9.0309 9.0309 9.0472 9.0472 9.3179 9.3179 9.9132 9.9132 10.5040 10.5040 10.9361 10.9361 10.9535 10.9535 11.3207 11.3207 13.8233 13.8233 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.6218 1.6218 5.7169 5.7169 8.2243 8.2243 8.3327 8.3327 8.4125 8.4125 8.6858 8.6858 9.0309 9.0309 9.0472 9.0472 9.3179 9.3179 9.9132 9.9132 10.5040 10.5040 10.9361 10.9361 10.9535 10.9535 11.3207 11.3207 13.8233 13.8233 k = 0.5000-0.2780 0.4158 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2135 -37.2134 -36.0142 -36.0141 -36.0122 -36.0122 1.6218 1.6223 5.7175 5.7188 8.2118 8.2143 8.3086 8.3144 8.4315 8.4345 8.6893 8.6915 9.0270 9.0342 9.0419 9.0527 9.3206 9.3240 9.9126 9.9160 10.5011 10.5059 10.9358 10.9359 10.9513 10.9555 11.3213 11.3232 13.8264 13.8276 k = 0.5000-0.2673 0.4234 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2135 -37.2134 -36.0143 -36.0141 -36.0122 -36.0122 1.6222 1.6232 5.7205 5.7231 8.1773 8.1803 8.2689 8.2739 8.4683 8.4694 8.7010 8.7053 9.0227 9.0360 9.0380 9.0584 9.3320 9.3385 9.9137 9.9205 10.4967 10.5064 10.9339 10.9345 10.9491 10.9566 11.3223 11.3260 13.8286 13.8311 k = 0.5000-0.2566 0.4309 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2135 -37.2133 -36.0143 -36.0141 -36.0122 -36.0122 1.6232 1.6247 5.7259 5.7299 8.1312 8.1332 8.2258 8.2274 8.5034 8.5053 8.7199 8.7260 9.0185 9.0325 9.0396 9.0643 9.3509 9.3599 9.9176 9.9274 10.4917 10.5062 10.9303 10.9331 10.9491 10.9582 11.3283 11.3340 13.8465 13.8502 k = 0.5000-0.2459 0.4385 ( 4204 PWs) bands (ev): -67.4163 -67.4163 -37.2136 -37.2133 -36.0143 -36.0141 -36.0123 -36.0123 1.6245 1.6266 5.7337 5.7390 8.0745 8.0755 8.1758 8.1774 8.5322 8.5368 8.7439 8.7507 9.0144 9.0288 9.0416 9.0703 9.3758 9.3864 9.9236 9.9360 10.4811 10.5002 10.9236 10.9294 10.9491 10.9583 11.3336 11.3414 13.8641 13.8690 k = 0.5000-0.2352 0.4460 ( 4196 PWs) bands (ev): -67.4153 -67.4153 -37.2136 -37.2133 -36.0144 -36.0140 -36.0123 -36.0123 1.6265 1.6291 5.7440 5.7507 8.0145 8.0150 8.1213 8.1259 8.5575 8.5640 8.7728 8.7792 9.0110 9.0264 9.0438 9.0770 9.4050 9.4163 9.9328 9.9473 10.4795 10.5036 10.9175 10.9273 10.9531 10.9621 11.3461 11.3557 13.9005 13.9065 k = 0.5000-0.2245 0.4536 ( 4200 PWs) bands (ev): -67.4158 -67.4158 -37.2137 -37.2133 -36.0144 -36.0140 -36.0123 -36.0123 1.6288 1.6319 5.7566 5.7648 7.9500 7.9505 8.0628 8.0695 8.5771 8.5846 8.8039 8.8084 9.0082 9.0247 9.0461 9.0840 9.4365 9.4476 9.9447 9.9605 10.4709 10.4998 10.9102 10.9233 10.9571 10.9655 11.3563 11.3679 13.9374 13.9446 k = 0.5000-0.2138 0.4612 ( 4198 PWs) bands (ev): -67.4156 -67.4156 -37.2137 -37.2132 -36.0144 -36.0139 -36.0123 -36.0123 1.6315 1.6352 5.7714 5.7811 7.8841 7.8849 8.0018 8.0104 8.5935 8.6014 8.8361 8.8376 9.0063 9.0242 9.0490 9.0917 9.4690 9.4787 9.9600 9.9763 10.4639 10.4977 10.9029 10.9194 10.9645 10.9723 11.3677 11.3812 13.9864 13.9947 k = 0.5000-0.2031 0.4687 ( 4200 PWs) bands (ev): -67.4158 -67.4158 -37.2137 -37.2132 -36.0144 -36.0139 -36.0123 -36.0123 1.6347 1.6388 5.7887 5.8000 7.8171 7.8185 7.9390 7.9492 8.6061 8.6139 8.8654 8.8677 9.0050 9.0242 9.0529 9.0999 9.5008 9.5082 9.9784 9.9943 10.4527 10.4912 10.8951 10.9139 10.9700 10.9773 11.3807 11.3961 14.0429 14.0523 k = 0.5000-0.1925 0.4763 ( 4196 PWs) bands (ev): -67.4153 -67.4153 -37.2137 -37.2132 -36.0145 -36.0138 -36.0123 -36.0123 1.6382 1.6428 5.8083 5.8213 7.7498 7.7522 7.8751 7.8868 8.6168 8.6242 8.8915 8.8977 9.0049 9.0254 9.0582 9.1089 9.5311 9.5354 10.0002 10.0150 10.4435 10.4866 10.8893 10.9101 10.9775 10.9844 11.3950 11.4122 14.1102 14.1206 k = 0.5000-0.1818 0.4838 ( 4204 PWs) bands (ev): -67.4162 -67.4162 -37.2138 -37.2132 -36.0145 -36.0138 -36.0124 -36.0123 1.6419 1.6469 5.8302 5.8449 7.6819 7.6854 7.8099 7.8230 8.6238 8.6308 8.9143 8.9240 9.0054 9.0268 9.0651 9.1181 9.5589 9.5593 10.0239 10.0367 10.4298 10.4775 10.8815 10.9039 10.9828 10.9894 11.4066 11.4255 14.1797 14.1911 k = 0.5000-0.1711 0.4914 ( 4208 PWs) bands (ev): -67.4167 -67.4167 -37.2138 -37.2131 -36.0145 -36.0138 -36.0124 -36.0124 1.6458 1.6513 5.8543 5.8709 7.6146 7.6193 7.7450 7.7594 8.6292 8.6357 8.9335 8.9459 9.0076 9.0289 9.0746 9.1276 9.5800 9.5840 10.0496 10.0601 10.4196 10.4720 10.8750 10.8989 10.9882 10.9944 11.4202 11.4407 14.2584 14.2707 k = 0.5000-0.1604 0.4990 ( 4204 PWs) bands (ev): -67.4162 -67.4162 -37.2138 -37.2131 -36.0145 -36.0137 -36.0124 -36.0124 1.6499 1.6559 5.8808 5.8996 7.5478 7.5542 7.6810 7.6966 8.6345 8.6404 8.9494 8.9634 9.0124 9.0324 9.0872 9.1375 9.5978 9.6063 10.0773 10.0851 10.4105 10.4673 10.8701 10.8950 10.9974 11.0032 11.4356 11.4576 14.3478 14.3609 k = 0.5000-0.1497 0.5065 ( 4202 PWs) bands (ev): -67.4160 -67.4159 -37.2139 -37.2131 -36.0145 -36.0136 -36.0124 -36.0124 1.6542 1.6606 5.9092 5.9303 7.4816 7.4899 7.6182 7.6349 8.6381 8.6435 8.9604 8.9757 9.0197 9.0358 9.1025 9.1470 9.6127 9.6256 10.1053 10.1105 10.4032 10.4645 10.8667 10.8923 11.0034 11.0089 11.4504 11.4737 14.4454 14.4593 k = 0.5000-0.1390 0.5141 ( 4202 PWs) bands (ev): -67.4159 -67.4159 -37.2139 -37.2131 -36.0145 -36.0136 -36.0124 -36.0124 1.6585 1.6653 5.9396 5.9633 7.4156 7.4262 7.5573 7.5750 8.6411 8.6461 8.9675 8.9842 9.0292 9.0392 9.1196 9.1560 9.6252 9.6424 10.1331 10.1358 10.3945 10.4601 10.8626 10.8890 11.0110 11.0161 11.4629 11.4875 14.5507 14.5653 k = 0.5000-0.1283 0.5217 ( 4208 PWs) bands (ev): -67.4166 -67.4166 -37.2139 -37.2131 -36.0146 -36.0135 -36.0125 -36.0124 1.6628 1.6700 5.9719 5.9984 7.3497 7.3630 7.4988 7.5172 8.6426 8.6472 8.9716 8.9899 9.0396 9.0424 9.1366 9.1639 9.6355 9.6567 10.1595 10.1599 10.3850 10.4548 10.8559 10.8829 11.0185 11.0230 11.4735 11.4993 14.6608 14.6761 k = 0.5000-0.1176 0.5292 ( 4204 PWs) bands (ev): -67.4161 -67.4161 -37.2139 -37.2130 -36.0146 -36.0135 -36.0125 -36.0124 1.6671 1.6747 6.0059 6.0356 7.2841 7.3007 7.4440 7.4630 8.6459 8.6502 8.9746 8.9946 9.0454 9.0509 9.1538 9.1709 9.6443 9.6691 10.1852 10.1867 10.3770 10.4505 10.8524 10.8799 11.0290 11.0331 11.4840 11.5107 14.7857 14.8016 k = 0.5000-0.1069 0.5368 ( 4212 PWs) bands (ev): -67.4171 -67.4171 -37.2140 -37.2130 -36.0146 -36.0135 -36.0126 -36.0125 1.6712 1.6791 6.0417 6.0752 7.2182 7.2389 7.3927 7.4120 8.6463 8.6503 8.9757 8.9972 9.0479 9.0616 9.1696 9.1764 9.6515 9.6794 10.2068 10.2094 10.3679 10.4448 10.8465 10.8744 11.0333 11.0369 11.4937 11.5212 14.9126 14.9290 k = 0.5000-0.0962 0.5443 ( 4216 PWs) bands (ev): -67.4175 -67.4175 -37.2140 -37.2130 -36.0146 -36.0134 -36.0126 -36.0125 1.6752 1.6834 6.0790 6.1169 7.1523 7.1779 7.3459 7.3653 8.6470 8.6507 8.9766 8.9993 9.0507 9.0724 9.1805 9.1839 9.6576 9.6882 10.2273 10.2305 10.3614 10.4410 10.8411 10.8693 11.0385 11.0418 11.5030 11.5313 15.0486 15.0656 k = 0.5000-0.0855 0.5519 ( 4212 PWs) bands (ev): -67.4171 -67.4171 -37.2140 -37.2130 -36.0146 -36.0134 -36.0126 -36.0125 1.6789 1.6874 6.1176 6.1607 7.0865 7.1178 7.3036 7.3230 8.6479 8.6514 8.9775 9.0013 9.0534 9.0835 9.1840 9.1981 9.6627 9.6956 10.2467 10.2495 10.3577 10.4392 10.8435 10.8718 11.0454 11.0484 11.5115 11.5405 15.1919 15.2094 k = 0.5000-0.0748 0.5595 ( 4204 PWs) bands (ev): -67.4162 -67.4162 -37.2140 -37.2130 -36.0146 -36.0133 -36.0126 -36.0125 1.6824 1.6911 6.1571 6.2066 7.0213 7.0596 7.2662 7.2855 8.6495 8.6528 8.9783 9.0031 9.0561 9.0943 9.1858 9.2100 9.6671 9.7018 10.2652 10.2667 10.3571 10.4393 10.8429 10.8712 11.0522 11.0549 11.5230 11.5525 15.3452 15.3632 k = 0.5000-0.0642 0.5670 ( 4204 PWs) bands (ev): -67.4162 -67.4162 -37.2140 -37.2129 -36.0146 -36.0133 -36.0126 -36.0125 1.6855 1.6944 6.1970 6.2544 6.9559 7.0026 7.2335 7.2527 8.6499 8.6530 8.9787 9.0043 9.0583 9.1043 9.1861 9.2200 9.6706 9.7069 10.2793 10.2803 10.3555 10.4372 10.8417 10.8701 11.0573 11.0597 11.5295 11.5595 15.5017 15.5201 k = 0.5000-0.0535 0.5746 ( 4202 PWs) bands (ev): -67.4160 -67.4159 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0125 1.6882 1.6974 6.2367 6.3043 6.8908 6.9482 7.2056 7.2248 8.6507 8.6537 8.9793 9.0056 9.0601 9.1138 9.1855 9.2290 9.6735 9.7111 10.2887 10.2940 10.3547 10.4339 10.8431 10.8715 11.0636 11.0657 11.5340 11.5644 15.6643 15.6833 k = 0.5000-0.0428 0.5821 ( 4202 PWs) bands (ev): -67.4160 -67.4160 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0125 1.6905 1.6998 6.2749 6.3558 6.8268 6.8979 7.1829 7.2020 8.6509 8.6537 8.9795 9.0064 9.0617 9.1227 9.1835 9.2358 9.6758 9.7144 10.2946 10.3048 10.3564 10.4323 10.8424 10.8708 11.0672 11.0691 11.5385 11.5692 15.8323 15.8518 k = 0.5000-0.0321 0.5897 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0125 1.6923 1.7017 6.3101 6.4095 6.7636 6.8535 7.1651 7.1841 8.6515 8.6543 8.9799 9.0072 9.0631 9.1309 9.1807 9.2411 9.6776 9.7169 10.2987 10.3140 10.3595 10.4315 10.8420 10.8705 11.0717 11.0734 11.5445 11.5753 16.0047 16.0251 k = 0.5000-0.0214 0.5973 ( 4196 PWs) bands (ev): -67.4153 -67.4153 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0125 1.6936 1.7032 6.3394 6.4644 6.7017 6.8175 7.1524 7.1714 8.6523 8.6550 8.9803 9.0079 9.0644 9.1382 9.1771 9.2442 9.6788 9.7186 10.3017 10.3210 10.3633 10.4322 10.8386 10.8672 11.0751 11.0766 11.5478 11.5789 16.1804 16.2022 k = 0.5000-0.0107 0.6048 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6945 1.7041 6.3594 6.5206 6.6413 6.7933 7.1448 7.1638 8.6533 8.6559 8.9808 9.0086 9.0651 9.1435 9.1753 9.2478 9.6796 9.7196 10.3033 10.3259 10.3659 10.4320 10.8446 10.8730 11.0787 11.0801 11.5496 11.5808 16.3488 16.3735 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6947 1.7043 6.3666 6.5676 6.5929 6.7847 7.1422 7.1612 8.6533 8.6559 8.9808 9.0087 9.0653 9.1455 9.1741 9.2485 9.6798 9.7200 10.3035 10.3272 10.3665 10.4318 10.8445 10.8729 11.0791 11.0805 11.5501 11.5813 16.4484 16.4782 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6947 1.7043 6.3666 6.5676 6.5929 6.7847 7.1422 7.1612 8.6533 8.6559 8.9808 9.0087 9.0653 9.1455 9.1741 9.2485 9.6798 9.7200 10.3035 10.3272 10.3665 10.4318 10.8445 10.8729 11.0791 11.0805 11.5501 11.5813 16.4484 16.4782 k = 0.4934 0.0114 0.6124 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6942 1.7037 6.3608 6.5374 6.6187 6.7860 7.1492 7.1682 8.6521 8.6566 8.9805 9.0086 9.0648 9.1443 9.1758 9.2499 9.6802 9.7201 10.3028 10.3273 10.3662 10.4320 10.8436 10.8722 11.0787 11.0836 11.5505 11.5817 16.3882 16.4143 k = 0.4868 0.0228 0.6124 ( 4195 PWs) bands (ev): -67.4152 -67.4152 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6925 1.7020 6.3455 6.4992 6.6424 6.7861 7.1709 7.1900 8.6488 8.6564 8.9793 9.0078 9.0630 9.1414 9.1796 9.2537 9.6813 9.7207 10.2996 10.3268 10.3643 10.4310 10.8376 10.8668 11.0792 11.0887 11.5495 11.5807 16.2653 16.2881 k = 0.4803 0.0342 0.6124 ( 4195 PWs) bands (ev): -67.4152 -67.4152 -37.2140 -37.2129 -36.0146 -36.0131 -36.0128 -36.0124 1.6900 1.6995 6.3239 6.4623 6.6551 6.7824 7.2073 7.2263 8.6453 8.6560 8.9779 9.0070 9.0607 9.1386 9.1857 9.2609 9.6836 9.7219 10.2959 10.3276 10.3636 10.4329 10.8321 10.8620 11.0834 11.0974 11.5515 11.5825 16.1265 16.1474 k = 0.4737 0.0456 0.6124 ( 4193 PWs) bands (ev): -67.4149 -67.4149 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6868 1.6962 6.2988 6.4271 6.6578 6.7743 7.2557 7.2748 8.6408 8.6542 8.9763 9.0060 9.0578 9.1358 9.1937 9.2712 9.6874 9.7239 10.2912 10.3277 10.3636 10.4357 10.8266 10.8574 11.0908 11.1091 11.5536 11.5847 15.9804 15.9999 k = 0.4671 0.0570 0.6124 ( 4197 PWs) bands (ev): -67.4154 -67.4154 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6829 1.6923 6.2718 6.3936 6.6529 6.7623 7.3127 7.3321 8.6342 8.6498 8.9742 9.0045 9.0541 9.1326 9.2033 9.2837 9.6930 9.7271 10.2833 10.3250 10.3629 10.4373 10.8194 10.8512 11.0993 11.1219 11.5529 11.5841 15.8303 15.8487 k = 0.4605 0.0684 0.6124 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6788 1.6880 6.2444 6.3620 6.6431 6.7481 7.3757 7.3953 8.6268 8.6442 8.9723 9.0031 9.0503 9.1295 9.2139 9.2974 9.7008 9.7318 10.2741 10.3200 10.3649 10.4405 10.8087 10.8415 11.1113 11.1375 11.5525 11.5839 15.6809 15.6984 k = 0.4539 0.0798 0.6124 ( 4202 PWs) bands (ev): -67.4160 -67.4159 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6743 1.6835 6.2175 6.3325 6.6306 6.7330 7.4416 7.4615 8.6184 8.6369 8.9706 9.0017 9.0464 9.1261 9.2255 9.3122 9.7112 9.7383 10.2647 10.3130 10.3670 10.4425 10.7990 10.8325 11.1255 11.1547 11.5521 11.5837 15.5339 15.5506 k = 0.4474 0.0912 0.6124 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0124 1.6698 1.6789 6.1917 6.3050 6.6166 6.7176 7.5087 7.5287 8.6093 8.6284 8.9694 9.0005 9.0427 9.1227 9.2380 9.3280 9.7247 9.7472 10.2549 10.3045 10.3699 10.4445 10.7922 10.8264 11.1427 11.1747 11.5505 11.5825 15.3913 15.4073 k = 0.4408 0.1026 0.6124 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0124 1.6653 1.6742 6.1673 6.2797 6.6023 6.7025 7.5755 7.5954 8.5988 8.6179 8.9684 8.9998 9.0391 9.1189 9.2501 9.3431 9.7414 9.7587 10.2434 10.2936 10.3739 10.4471 10.7832 10.8180 11.1613 11.1957 11.5475 11.5801 15.2537 15.2692 k = 0.4342 0.1140 0.6124 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0127 -36.0123 1.6609 1.6697 6.1447 6.2566 6.5882 6.6883 7.6409 7.6603 8.5876 8.6060 8.9681 8.9996 9.0358 9.1151 9.2618 9.3573 9.7615 9.7731 10.2306 10.2808 10.3790 10.4502 10.7744 10.8095 11.1817 11.2183 11.5440 11.5773 15.1239 15.1390 k = 0.4276 0.1253 0.6124 ( 4196 PWs) bands (ev): -67.4152 -67.4152 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6567 1.6654 6.1240 6.2357 6.5749 6.6750 7.7037 7.7223 8.5756 8.5927 8.9680 8.9998 9.0326 9.1111 9.2725 9.3701 9.7849 9.7908 10.2167 10.2663 10.3842 10.4532 10.7663 10.8016 11.2027 11.2413 11.5395 11.5736 15.0025 15.0174 k = 0.4211 0.1367 0.6124 ( 4205 PWs) bands (ev): -67.4163 -67.4163 -37.2139 -37.2129 -36.0146 -36.0132 -36.0127 -36.0123 1.6527 1.6613 6.1055 6.2171 6.5625 6.6629 7.7621 7.7797 8.5617 8.5772 8.9679 8.9997 9.0292 9.1067 9.2816 9.3810 9.8103 9.8110 10.1998 10.2487 10.3851 10.4516 10.7568 10.7922 11.2231 11.2632 11.5285 11.5635 14.8893 14.9041 k = 0.4145 0.1481 0.6124 ( 4201 PWs) bands (ev): -67.4158 -67.4158 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6492 1.6577 6.0893 6.2010 6.5515 6.6522 7.8166 7.8329 8.5489 8.5623 8.9686 9.0009 9.0264 9.1028 9.2899 9.3909 9.8346 9.8394 10.1831 10.2309 10.3903 10.4543 10.7511 10.7866 11.2479 11.2895 11.5192 11.5551 14.7890 14.8038 k = 0.4079 0.1595 0.6124 ( 4202 PWs) bands (ev): -67.4159 -67.4159 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6461 1.6545 6.0754 6.1872 6.5420 6.6430 7.8656 7.8803 8.5363 8.5476 8.9693 9.0021 9.0238 9.0989 9.2962 9.3981 9.8598 9.8690 10.1645 10.2112 10.3939 10.4552 10.7444 10.7799 11.2694 11.3123 11.5081 11.5447 14.7021 14.7171 k = 0.4013 0.1709 0.6124 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6435 1.6518 6.0640 6.1759 6.5340 6.6354 7.9080 7.9212 8.5239 8.5333 8.9703 9.0036 9.0215 9.0953 9.3017 9.4044 9.8873 9.9000 10.1447 10.1903 10.3973 10.4562 10.7402 10.7758 11.2950 11.3390 11.4942 11.5315 14.6285 14.6436 k = 0.3947 0.1823 0.6124 ( 4196 PWs) bands (ev): -67.4152 -67.4152 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6414 1.6497 6.0550 6.1670 6.5278 6.6295 7.9428 7.9548 8.5137 8.5217 8.9714 9.0051 9.0195 9.0923 9.3057 9.4090 9.9153 9.9303 10.1245 10.1693 10.4003 10.4571 10.7377 10.7732 11.3198 11.3647 11.4789 11.5163 14.5724 14.5876 k = 0.3882 0.1937 0.6124 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6399 1.6481 6.0485 6.1607 6.5233 6.6252 7.9685 7.9795 8.5042 8.5115 8.9720 9.0062 9.0178 9.0898 9.3085 9.4120 9.9410 9.9564 10.1044 10.1485 10.4014 10.4565 10.7346 10.7701 11.3423 11.3879 11.4624 11.4991 14.5290 14.5444 k = 0.3816 0.2051 0.6124 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6390 1.6472 6.0446 6.1569 6.5206 6.6226 7.9845 7.9951 8.4984 8.5054 8.9724 9.0071 9.0168 9.0881 9.3100 9.4135 9.9622 9.9756 10.0881 10.1317 10.4028 10.4569 10.7325 10.7679 11.3612 11.4067 11.4491 11.4829 14.5037 14.5192 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.3684 0.2127 0.6016 ( 4209 PWs) bands (ev): -67.4167 -67.4167 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6322 1.6406 6.0510 6.1955 6.4387 6.5741 7.9593 7.9698 8.5154 8.5224 8.9688 9.0076 9.0171 9.0848 9.3357 9.4476 9.9959 10.0077 10.0883 10.1393 10.4033 10.4576 10.7272 10.7652 11.3645 11.4157 11.4951 11.5285 14.5262 14.5418 k = 0.3618 0.2089 0.5909 ( 4205 PWs) bands (ev): -67.4162 -67.4162 -37.2139 -37.2129 -36.0146 -36.0131 -36.0127 -36.0122 1.6238 1.6323 6.0476 6.2282 6.3719 6.5446 7.9308 7.9413 8.5370 8.5440 8.9657 9.0087 9.0181 9.0826 9.3603 9.4797 10.0175 10.0306 10.0975 10.1557 10.4106 10.4647 10.7265 10.7667 11.3622 11.4167 11.5565 11.5904 14.5620 14.5775 k = 0.3553 0.2051 0.5801 ( 4201 PWs) bands (ev): -67.4157 -67.4157 -37.2139 -37.2129 -36.0146 -36.0131 -36.0127 -36.0122 1.6132 1.6218 6.0320 6.2255 6.3473 6.5340 7.9030 7.9136 8.5585 8.5652 8.9626 9.0095 9.0185 9.0803 9.3842 9.5105 10.0355 10.0498 10.1089 10.1738 10.4179 10.4716 10.7284 10.7706 11.3619 11.4190 11.6215 11.6551 14.5961 14.6115 k = 0.3487 0.2013 0.5694 ( 4201 PWs) bands (ev): -67.4157 -67.4157 -37.2139 -37.2129 -36.0146 -36.0130 -36.0127 -36.0122 1.6001 1.6087 6.0062 6.1777 6.3750 6.5408 7.8764 7.8870 8.5798 8.5861 8.9588 9.0104 9.0183 9.0774 9.4066 9.5386 10.0484 10.0638 10.1213 10.1919 10.4269 10.4797 10.7321 10.7759 11.3603 11.4199 11.6888 11.7221 14.6288 14.6440 k = 0.3421 0.1975 0.5587 ( 4213 PWs) bands (ev): -67.4170 -67.4170 -37.2139 -37.2129 -36.0146 -36.0130 -36.0127 -36.0122 1.5842 1.5929 5.9738 6.1200 6.4197 6.5614 7.8505 7.8612 8.5999 8.6056 8.9539 9.0109 9.0170 9.0735 9.4272 9.5638 10.0537 10.0698 10.1339 10.2091 10.4366 10.4882 10.7360 10.7810 11.3565 11.4182 11.7561 11.7889 14.6580 14.6731 k = 0.3355 0.1937 0.5479 ( 4209 PWs) bands (ev): -67.4166 -67.4166 -37.2139 -37.2128 -36.0146 -36.0129 -36.0127 -36.0121 1.5657 1.5743 5.9389 6.0647 6.4699 6.5923 7.8267 7.8374 8.6208 8.6258 8.9498 9.0120 9.0157 9.0707 9.4464 9.5864 10.0598 10.0765 10.1524 10.2308 10.4502 10.5001 10.7447 10.7903 11.3593 11.4226 11.8308 11.8631 14.6892 14.7039 k = 0.3289 0.1899 0.5372 ( 4209 PWs) bands (ev): -67.4165 -67.4165 -37.2138 -37.2128 -36.0146 -36.0129 -36.0127 -36.0121 1.5443 1.5527 5.9043 6.0144 6.5228 6.6306 7.8040 7.8147 8.6412 8.6454 8.9452 9.0131 9.0137 9.0678 9.4634 9.6050 10.0614 10.0789 10.1729 10.2533 10.4642 10.5125 10.7551 10.8007 11.3624 11.4268 11.9073 11.9391 14.7204 14.7349 k = 0.3224 0.1861 0.5264 ( 4213 PWs) bands (ev): -67.4170 -67.4170 -37.2138 -37.2128 -36.0146 -36.0129 -36.0126 -36.0121 1.5197 1.5279 5.8724 5.9701 6.5776 6.6742 7.7822 7.7930 8.6611 8.6641 8.9405 9.0109 9.0141 9.0650 9.4781 9.6196 10.0571 10.0757 10.1962 10.2777 10.4789 10.5255 10.7677 10.8122 11.3672 11.4323 11.9840 12.0153 14.7517 14.7657 k = 0.3158 0.1823 0.5157 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2138 -37.2128 -36.0145 -36.0129 -36.0126 -36.0120 1.4921 1.5001 5.8445 5.9324 6.6339 6.7218 7.7624 7.7733 8.6808 8.6824 8.9355 9.0074 9.0153 9.0626 9.4902 9.6300 10.0559 10.0756 10.2236 10.3049 10.4948 10.5397 10.7845 10.8273 11.3767 11.4417 12.0675 12.0983 14.7836 14.7971 k = 0.3092 0.1785 0.5049 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2137 -37.2127 -36.0145 -36.0129 -36.0125 -36.0120 1.4614 1.4691 5.8216 5.9014 6.6917 6.7727 7.7440 7.7549 8.6993 8.6993 8.9301 9.0030 9.0167 9.0604 9.4997 9.6360 10.0497 10.0707 10.2550 10.3349 10.5113 10.5546 10.8036 10.8441 11.3901 11.4544 12.1513 12.1816 14.8151 14.8282 k = 0.3026 0.1747 0.4942 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2137 -37.2127 -36.0144 -36.0129 -36.0124 -36.0120 1.4274 1.4348 5.8040 5.8772 6.7500 6.8253 7.7270 7.7380 8.7145 8.7164 8.9234 8.9967 9.0179 9.0579 9.5063 9.6376 10.0429 10.0651 10.2848 10.3624 10.5276 10.5694 10.8239 10.8609 11.4008 11.4637 12.2384 12.2682 14.8455 14.8581 k = 0.2961 0.1709 0.4835 ( 4211 PWs) bands (ev): -67.4168 -67.4168 -37.2137 -37.2127 -36.0144 -36.0129 -36.0124 -36.0120 1.3905 1.3975 5.7925 5.8599 6.8091 6.8797 7.7109 7.7219 8.7289 8.7329 8.9175 8.9906 9.0191 9.0562 9.5101 9.6352 10.0302 10.0537 10.3203 10.3952 10.5434 10.5839 10.8466 10.8789 11.4172 11.4779 12.3243 12.3538 14.8777 14.8895 k = 0.2895 0.1671 0.4727 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2136 -37.2127 -36.0143 -36.0129 -36.0123 -36.0119 1.3506 1.3573 5.7871 5.8496 6.8689 6.9353 7.6969 7.7079 8.7423 8.7488 8.9118 8.9840 9.0205 9.0548 9.5111 9.6291 10.0201 10.0448 10.3598 10.4312 10.5599 10.5992 10.8733 10.9002 11.4391 11.4969 12.4150 12.4441 14.9107 14.9218 k = 0.2829 0.1633 0.4620 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2136 -37.2126 -36.0143 -36.0129 -36.0122 -36.0119 1.3079 1.3141 5.7880 5.8461 6.9291 6.9920 7.6841 7.6952 8.7542 8.7634 8.9056 8.9765 9.0218 9.0536 9.5093 9.6197 10.0068 10.0327 10.3996 10.4672 10.5758 10.6142 10.9032 10.9239 11.4633 11.5174 12.5061 12.5348 14.9442 14.9544 k = 0.2763 0.1595 0.4512 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2135 -37.2126 -36.0142 -36.0129 -36.0121 -36.0118 1.2625 1.2683 5.7950 5.8492 6.9896 7.0492 7.6729 7.6841 8.7647 8.7770 8.8994 8.9685 9.0231 9.0524 9.5048 9.6072 9.9921 10.0192 10.4401 10.5037 10.5917 10.6291 10.9370 10.9510 11.4911 11.5411 12.5984 12.6267 14.9785 14.9877 k = 0.2697 0.1557 0.4405 ( 4205 PWs) bands (ev): -67.4161 -67.4161 -37.2135 -37.2126 -36.0141 -36.0128 -36.0121 -36.0118 1.2146 1.2201 5.8083 5.8589 7.0504 7.1070 7.6630 7.6742 8.7739 8.7898 8.8936 8.9604 9.0243 9.0513 9.4980 9.5924 9.9747 10.0028 10.4832 10.5427 10.6066 10.6433 10.9750 10.9820 11.5251 11.5705 12.6910 12.7191 15.0140 15.0221 k = 0.2632 0.1519 0.4297 ( 4197 PWs) bands (ev): -67.4151 -67.4151 -37.2134 -37.2125 -36.0140 -36.0128 -36.0120 -36.0117 1.1646 1.1697 5.8275 5.8750 7.1110 7.1647 7.6553 7.6665 8.7820 8.8015 8.8885 8.9528 9.0256 9.0505 9.4890 9.5756 9.9585 9.9876 10.5273 10.5829 10.6228 10.6589 11.0182 11.0182 11.5629 11.6035 12.7860 12.8139 15.0505 15.0573 k = 0.2566 0.1481 0.4190 ( 4201 PWs) bands (ev): -67.4156 -67.4156 -37.2133 -37.2125 -36.0139 -36.0128 -36.0119 -36.0117 1.1124 1.1171 5.8525 5.8970 7.1711 7.2221 7.6488 7.6600 8.7881 8.8118 8.8824 8.9434 9.0267 9.0496 9.4777 9.5563 9.9377 9.9677 10.5637 10.6148 10.6369 10.6725 11.0598 11.0667 11.6005 11.6358 12.8791 12.9068 15.0870 15.0925 k = 0.2500 0.1443 0.4082 ( 4183 PWs) bands (ev): -67.4135 -67.4135 -37.2132 -37.2124 -36.0138 -36.0127 -36.0118 -36.0116 1.0586 1.0629 5.8834 5.9252 7.2311 7.2792 7.6460 7.6572 8.7937 8.8225 8.8778 8.9348 9.0284 9.0492 9.4648 9.5359 9.9242 9.9549 10.6033 10.6494 10.6554 10.6902 11.1095 11.1227 11.6474 11.6773 12.9770 13.0046 15.1253 15.1293 k = 0.2434 0.1405 0.3975 ( 4193 PWs) bands (ev): -67.4146 -67.4146 -37.2132 -37.2124 -36.0138 -36.0127 -36.0118 -36.0116 1.0032 1.0071 5.9190 5.9583 7.2892 7.3346 7.6434 7.6544 8.7959 8.8300 8.8719 8.9240 9.0292 9.0482 9.4500 9.5134 9.9004 9.9320 10.6326 10.6676 10.6744 10.7031 11.1642 11.1831 11.6866 11.7112 13.0702 13.0977 15.1624 15.1647 k = 0.2368 0.1367 0.3868 ( 4193 PWs) bands (ev): -67.4146 -67.4146 -37.2131 -37.2124 -36.0137 -36.0127 -36.0117 -36.0115 0.9465 0.9501 5.9600 5.9970 7.3461 7.3885 7.6440 7.6545 8.7972 8.8375 8.8675 8.9140 9.0300 9.0473 9.4338 9.4900 9.8780 9.9103 10.6619 10.6825 10.6982 10.7174 11.2261 11.2500 11.7334 11.7526 13.1647 13.1921 15.2005 15.2009 k = 0.2303 0.1329 0.3760 ( 4193 PWs) bands (ev): -67.4147 -67.4146 -37.2130 -37.2123 -36.0136 -36.0126 -36.0116 -36.0115 0.8889 0.8921 6.0060 6.0408 7.4010 7.4398 7.6478 7.6575 8.7972 8.8446 8.8639 8.9039 9.0309 9.0465 9.4162 9.4654 9.8533 9.8863 10.6868 10.6957 10.7179 10.7306 11.2949 11.3234 11.7854 11.7991 13.2576 13.2851 15.2373 15.2390 k = 0.2237 0.1291 0.3653 ( 4193 PWs) bands (ev): -67.4146 -67.4146 -37.2130 -37.2123 -36.0135 -36.0126 -36.0116 -36.0114 0.8306 0.8335 6.0563 6.0891 7.4524 7.4865 7.6565 7.6644 8.7955 8.8502 8.8610 8.8941 9.0315 9.0457 9.3978 9.4404 9.8286 9.8623 10.7099 10.7103 10.7366 10.7449 11.3692 11.4021 11.8369 11.8454 13.3505 13.3781 15.2726 15.2766 k = 0.2171 0.1253 0.3545 ( 4193 PWs) bands (ev): -67.4146 -67.4146 -37.2129 -37.2123 -36.0133 -36.0125 -36.0115 -36.0114 0.7718 0.7744 6.1108 6.1417 7.4987 7.5265 7.6720 7.6763 8.7927 8.8546 8.8587 8.8849 9.0318 9.0447 9.3787 9.4151 9.8011 9.8355 10.7233 10.7329 10.7565 10.7600 11.4492 11.4863 11.8902 11.8936 13.4412 13.4689 15.3073 15.3138 k = 0.2105 0.1215 0.3438 ( 4189 PWs) bands (ev): -67.4141 -67.4141 -37.2128 -37.2122 -36.0132 -36.0125 -36.0114 -36.0113 0.7127 0.7150 6.1693 6.1984 7.5378 7.5576 7.6961 7.6969 8.7893 8.8569 8.8571 8.8774 9.0321 9.0438 9.3590 9.3894 9.7756 9.8108 10.7394 10.7530 10.7726 10.7762 11.5343 11.5755 11.9441 11.9458 13.5320 13.5598 15.3391 15.3484 k = 0.2039 0.1177 0.3330 ( 4189 PWs) bands (ev): -67.4141 -67.4141 -37.2127 -37.2122 -36.0131 -36.0124 -36.0114 -36.0113 0.6536 0.6557 6.2313 6.2587 7.5682 7.5799 7.7241 7.7300 8.7853 8.8551 8.8553 8.8740 9.0321 9.0428 9.3388 9.3636 9.7475 9.7835 10.7533 10.7700 10.7868 10.7909 11.6230 11.6683 11.9964 12.0031 13.6195 13.6475 15.3674 15.3795 k = 0.1974 0.1140 0.3223 ( 4195 PWs) bands (ev): -67.4148 -67.4148 -37.2126 -37.2121 -36.0130 -36.0124 -36.0113 -36.0112 0.5947 0.5966 6.2965 6.3223 7.5905 7.5958 7.7591 7.7682 8.7807 8.8481 8.8535 8.8743 9.0318 9.0418 9.3181 9.3373 9.7173 9.7540 10.7664 10.7846 10.7975 10.8034 11.7146 11.7643 12.0485 12.0601 13.7036 13.7319 15.3907 15.4057 k = 0.1908 0.1102 0.3116 ( 4195 PWs) bands (ev): -67.4147 -67.4147 -37.2126 -37.2121 -36.0129 -36.0123 -36.0112 -36.0112 0.5363 0.5379 6.3648 6.3890 7.6080 7.6091 7.7988 7.8089 8.7769 8.8405 8.8520 8.8765 9.0314 9.0407 9.2978 9.3119 9.6873 9.7248 10.7800 10.7994 10.8100 10.8174 11.8101 11.8642 12.1042 12.1207 13.7854 13.8139 15.4081 15.4257 k = 0.1842 0.1064 0.3008 ( 4199 PWs) bands (ev): -67.4152 -67.4152 -37.2125 -37.2120 -36.0128 -36.0122 -36.0112 -36.0112 0.4784 0.4798 6.4356 6.4583 7.6211 7.6227 7.8399 7.8494 8.7739 8.8333 8.8500 8.8783 9.0306 9.0395 9.2777 9.2872 9.6556 9.6940 10.7925 10.8125 10.8207 10.8295 11.9072 11.9657 12.1608 12.1819 13.8631 13.8919 15.4173 15.4369 k = 0.1776 0.1026 0.2901 ( 4199 PWs) bands (ev): -67.4152 -67.4152 -37.2124 -37.2120 -36.0127 -36.0121 -36.0112 -36.0111 0.4213 0.4226 6.5089 6.5302 7.6331 7.6365 7.8813 7.8892 8.7716 8.8263 8.8480 8.8805 9.0295 9.0383 9.2579 9.2631 9.6240 9.6633 10.8058 10.8260 10.8322 10.8426 12.0065 12.0690 12.2216 12.2467 13.9374 13.9666 15.4179 15.4387 k = 0.1711 0.0988 0.2793 ( 4191 PWs) bands (ev): -67.4142 -67.4142 -37.2123 -37.2119 -36.0125 -36.0120 -36.0111 -36.0110 0.3652 0.3663 6.5846 6.6045 7.6464 7.6511 7.9219 7.9278 8.7709 8.8206 8.8459 8.8829 9.0281 9.0371 9.2387 9.2400 9.5944 9.6346 10.8216 10.8417 10.8443 10.8561 12.1071 12.1714 12.2897 12.3163 14.0092 14.0389 15.4089 15.4293 k = 0.1645 0.0950 0.2686 ( 4185 PWs) bands (ev): -67.4135 -67.4135 -37.2122 -37.2119 -36.0124 -36.0119 -36.0110 -36.0110 0.3102 0.3112 6.6622 6.6808 7.6594 7.6649 7.9606 7.9641 8.7716 8.8162 8.8437 8.8851 9.0260 9.0355 9.2185 9.2205 9.5613 9.6026 10.8364 10.8564 10.8575 10.8703 12.2060 12.2657 12.3703 12.3917 14.0741 14.1043 15.3900 15.4086 k = 0.1579 0.0912 0.2578 ( 4185 PWs) bands (ev): -67.4135 -67.4135 -37.2121 -37.2118 -36.0122 -36.0118 -36.0110 -36.0109 0.2564 0.2572 6.7407 6.7580 7.6733 7.6795 7.9960 7.9970 8.7733 8.8121 8.8406 8.8865 9.0230 9.0338 9.1981 9.2030 9.5279 9.5703 10.8492 10.8684 10.8688 10.8822 12.2985 12.3445 12.4648 12.4715 14.1341 14.1650 15.3619 15.3773 k = 0.1513 0.0874 0.2471 ( 4185 PWs) bands (ev): -67.4134 -67.4134 -37.2120 -37.2118 -36.0121 -36.0118 -36.0109 -36.0109 0.2040 0.2047 6.8202 6.8363 7.6883 7.6950 8.0270 8.0283 8.7767 8.8091 8.8371 8.8876 9.0191 9.0319 9.1795 9.1865 9.4943 9.5379 10.8618 10.8793 10.8810 10.8938 12.3838 12.4124 12.5604 12.5722 14.1888 14.2206 15.3261 15.3370 k = 0.1447 0.0836 0.2364 ( 4195 PWs) bands (ev): -67.4145 -67.4145 -37.2120 -37.2117 -36.0120 -36.0117 -36.0109 -36.0109 0.1531 0.1537 6.8999 6.9147 7.7027 7.7097 8.0527 8.0562 8.7814 8.8066 8.8328 8.8878 9.0135 9.0294 9.1629 9.1713 9.4577 9.5027 10.8738 10.8892 10.8924 10.9041 12.4587 12.4724 12.6558 12.6840 14.2346 14.2674 15.2840 15.2896 k = 0.1382 0.0798 0.2256 ( 4177 PWs) bands (ev): -67.4124 -67.4124 -37.2119 -37.2117 -36.0118 -36.0115 -36.0108 -36.0108 0.1038 0.1043 6.9822 6.9957 7.7213 7.7287 8.0772 8.0828 8.7883 8.8061 8.8299 8.8897 9.0074 9.0272 9.1492 9.1577 9.4279 9.4740 10.8919 10.9032 10.9101 10.9183 12.5374 12.5402 12.7622 12.8031 14.2812 14.3154 15.2374 15.2374 k = 0.1316 0.0760 0.2149 ( 4173 PWs) bands (ev): -67.4119 -67.4119 -37.2118 -37.2116 -36.0117 -36.0114 -36.0108 -36.0108 0.0562 0.0567 7.0627 7.0750 7.7395 7.7472 8.0982 8.1057 8.7956 8.8067 8.8272 8.8903 8.9993 9.0242 9.1383 9.1458 9.3949 9.4423 10.9048 10.9155 10.9222 10.9306 12.5989 12.6040 12.8732 12.9246 14.3193 14.3552 15.1819 15.1878 k = 0.1250 0.0722 0.2041 ( 4191 PWs) bands (ev): -67.4140 -67.4140 -37.2118 -37.2116 -36.0116 -36.0114 -36.0108 -36.0108 0.0104 0.0107 7.1411 7.1523 7.7571 7.7650 8.1137 8.1224 8.7995 8.8056 8.8271 8.8904 8.9889 9.0201 9.1290 9.1349 9.3593 9.4079 10.9105 10.9225 10.9270 10.9378 12.6506 12.6613 12.9824 13.0424 14.3486 14.3868 15.1247 15.1362 k = 0.1184 0.0684 0.1934 ( 4183 PWs) bands (ev): -67.4130 -67.4130 -37.2117 -37.2115 -36.0115 -36.0113 -36.0107 -36.0107 -0.0335 -0.0332 7.2207 7.2308 7.7781 7.7861 8.1282 8.1380 8.7978 8.8054 8.8351 8.8923 8.9781 9.0159 9.1229 9.1264 9.3295 9.3789 10.9254 10.9343 10.9414 10.9491 12.7097 12.7246 13.0962 13.1640 14.3767 14.4179 15.0676 15.0843 k = 0.1118 0.0646 0.1826 ( 4191 PWs) bands (ev): -67.4139 -67.4139 -37.2116 -37.2115 -36.0114 -36.0112 -36.0107 -36.0107 -0.0755 -0.0752 7.2969 7.3060 7.7992 7.8074 8.1384 8.1488 8.7915 8.8030 8.8469 8.8946 8.9661 9.0104 9.1184 9.1192 9.2991 9.3490 10.9347 10.9432 10.9498 10.9578 12.7607 12.7784 13.2074 13.2820 14.3983 14.4433 15.0117 15.0328 k = 0.1053 0.0608 0.1719 ( 4197 PWs) bands (ev): -67.4146 -67.4146 -37.2116 -37.2115 -36.0113 -36.0112 -36.0107 -36.0107 -0.1153 -0.1151 7.3715 7.3795 7.8209 7.8292 8.1468 8.1579 8.7828 8.7996 8.8599 8.8977 8.9545 9.0038 9.1142 9.1159 9.2707 9.3204 10.9443 10.9512 10.9588 10.9652 12.8124 12.8319 13.3192 13.4004 14.4134 14.4632 14.9581 14.9827 k = 0.0987 0.0570 0.1612 ( 4203 PWs) bands (ev): -67.4153 -67.4153 -37.2115 -37.2114 -36.0112 -36.0111 -36.0107 -36.0107 -0.1531 -0.1530 7.4435 7.4506 7.8445 7.8529 8.1521 8.1633 8.7732 8.7938 8.8703 8.9010 8.9459 8.9970 9.1105 9.1146 9.2455 9.2941 10.9535 10.9595 10.9671 10.9729 12.8626 12.8832 13.4268 13.5141 14.4258 14.4816 14.9083 14.9351 k = 0.0921 0.0532 0.1504 ( 4201 PWs) bands (ev): -67.4151 -67.4151 -37.2114 -37.2114 -36.0111 -36.0110 -36.0106 -36.0106 -0.1887 -0.1886 7.5132 7.5194 7.8697 7.8782 8.1566 8.1682 8.7629 8.7870 8.8732 8.9027 8.9453 8.9916 9.1086 9.1147 9.2240 9.2704 10.9644 10.9698 10.9773 10.9822 12.9136 12.9344 13.5332 13.6264 14.4347 14.4978 14.8637 14.8911 k = 0.0855 0.0494 0.1397 ( 4199 PWs) bands (ev): -67.4148 -67.4148 -37.2114 -37.2113 -36.0110 -36.0109 -36.0106 -36.0106 -0.2220 -0.2219 7.5784 7.5836 7.8955 7.9042 8.1622 8.1742 8.7519 8.7792 8.8655 8.8995 8.9550 8.9896 9.1083 9.1161 9.2052 9.2482 10.9739 10.9790 10.9858 10.9908 12.9603 12.9805 13.6397 13.7382 14.4391 14.5105 14.8244 14.8510 k = 0.0789 0.0456 0.1289 ( 4207 PWs) bands (ev): -67.4158 -67.4158 -37.2113 -37.2113 -36.0109 -36.0108 -36.0106 -36.0106 -0.2531 -0.2530 7.6395 7.6435 7.9217 7.9306 8.1629 8.1753 8.7399 8.7689 8.8502 8.8889 8.9705 8.9928 9.1084 9.1177 9.1894 9.2279 10.9798 10.9872 10.9912 10.9978 13.0054 13.0244 13.7348 13.8368 14.4395 14.5190 14.7909 14.8154 k = 0.0724 0.0418 0.1182 ( 4207 PWs) bands (ev): -67.4158 -67.4158 -37.2113 -37.2113 -36.0108 -36.0108 -36.0106 -36.0106 -0.2818 -0.2818 7.6951 7.6984 7.9499 7.9589 8.1664 8.1790 8.7283 8.7585 8.8313 8.8722 8.9891 9.0015 9.1094 9.1201 9.1774 9.2103 10.9885 10.9944 10.9988 11.0043 13.0465 13.0636 13.8280 13.9322 14.4424 14.5293 14.7641 14.7852 k = 0.0658 0.0380 0.1074 ( 4207 PWs) bands (ev): -67.4158 -67.4158 -37.2113 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.3082 -0.3082 7.7459 7.7484 7.9798 7.9889 8.1683 8.1810 8.7168 8.7472 8.8104 8.8512 9.0085 9.0137 9.1106 9.1227 9.1684 9.1952 10.9958 11.0016 11.0051 11.0107 13.0855 13.1004 13.9111 14.0137 14.4497 14.5407 14.7440 14.7611 k = 0.0592 0.0342 0.0967 ( 4211 PWs) bands (ev): -67.4163 -67.4163 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.3322 -0.3321 7.7902 7.7922 8.0102 8.0194 8.1699 8.1825 8.7053 8.7353 8.7881 8.8269 9.0277 9.0279 9.1117 9.1254 9.1620 9.1822 11.0017 11.0065 11.0101 11.0147 13.1197 13.1321 13.9839 14.0792 14.4639 14.5531 14.7290 14.7422 k = 0.0526 0.0304 0.0859 ( 4217 PWs) bands (ev): -67.4169 -67.4169 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3537 -0.3537 7.8285 7.8300 8.0409 8.0500 8.1714 8.1837 8.6935 8.7223 8.7655 8.8016 9.0429 9.0461 9.1126 9.1280 9.1578 9.1716 11.0042 11.0117 11.0123 11.0196 13.1498 13.1596 14.0448 14.1265 14.4880 14.5678 14.7183 14.7281 k = 0.0461 0.0266 0.0752 ( 4221 PWs) bands (ev): -67.4174 -67.4174 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3728 -0.3728 7.8614 7.8624 8.0715 8.0805 8.1727 8.1845 8.6830 8.7101 8.7432 8.7759 9.0581 9.0633 9.1133 9.1303 9.1554 9.1632 11.0084 11.0149 11.0176 11.0240 13.1763 13.1836 14.0932 14.1562 14.5214 14.5855 14.7119 14.7192 k = 0.0395 0.0228 0.0645 ( 4229 PWs) bands (ev): -67.4183 -67.4183 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3894 -0.3894 7.8876 7.8883 8.0991 8.1077 8.1758 8.1868 8.6731 8.6980 8.7213 8.7499 9.0726 9.0787 9.1138 9.1317 9.1541 9.1569 11.0115 11.0171 11.0212 11.0266 13.1978 13.2028 14.1306 14.1738 14.5594 14.6049 14.7052 14.7113 k = 0.0329 0.0190 0.0537 ( 4237 PWs) bands (ev): -67.4192 -67.4192 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.4035 -0.4035 7.9093 7.9095 8.1253 8.1334 8.1791 8.1893 8.6641 8.6863 8.7009 8.7253 9.0860 9.0919 9.1144 9.1315 9.1538 9.1541 11.0128 11.0175 11.0223 11.0269 13.2154 13.2185 14.1574 14.1834 14.5986 14.6275 14.7021 14.7070 k = 0.0263 0.0152 0.0430 ( 4241 PWs) bands (ev): -67.4197 -67.4197 -37.2111 -37.2111 -36.0106 -36.0106 -36.0105 -36.0105 -0.4150 -0.4150 7.9263 7.9263 8.1482 8.1556 8.1836 8.1923 8.6573 8.6761 8.6832 8.7032 9.0976 9.1027 9.1150 9.1297 9.1536 9.1547 11.0163 11.0200 11.0240 11.0277 13.2292 13.2309 14.1759 14.1893 14.6345 14.6506 14.7003 14.7044 k = 0.0197 0.0114 0.0322 ( 4261 PWs) bands (ev): -67.4219 -67.4219 -37.2112 -37.2112 -36.0107 -36.0106 -36.0106 -36.0106 -0.4241 -0.4241 7.9367 7.9367 8.1642 8.1702 8.1867 8.1937 8.6516 8.6663 8.6671 8.6822 9.1066 9.1102 9.1156 9.1268 9.1548 9.1556 11.0165 11.0181 11.0193 11.0208 13.2387 13.2394 14.1837 14.1893 14.6613 14.6694 14.6945 14.6973 k = 0.0132 0.0076 0.0215 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4305 -0.4305 7.9430 7.9430 8.1776 8.1815 8.1863 8.1912 8.6479 8.6561 8.6578 8.6664 9.1131 9.1154 9.1162 9.1236 9.1565 9.1568 11.0153 11.0163 11.0171 11.0182 13.2457 13.2460 14.1848 14.1867 14.6756 14.6793 14.6923 14.6941 k = 0.0066 0.0038 0.0107 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4344 -0.4344 7.9483 7.9483 8.1873 8.1894 8.1897 8.1922 8.6473 8.6506 8.6524 8.6558 9.1173 9.1176 9.1185 9.1212 9.1577 9.1578 11.0170 11.0175 11.0179 11.0184 13.2501 13.2502 14.1884 14.1886 14.6889 14.6900 14.6930 14.6939 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -67.4241 -67.4241 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4357 -0.4357 7.9501 7.9501 8.1915 8.1915 8.1915 8.1915 8.6496 8.6496 8.6496 8.6496 9.1192 9.1192 9.1192 9.1192 9.1582 9.1582 11.0180 11.0180 11.0180 11.0180 13.2516 13.2516 14.1893 14.1893 14.6936 14.6936 14.6936 14.6936 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -67.4241 -67.4241 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4357 -0.4357 7.9501 7.9501 8.1915 8.1915 8.1915 8.1915 8.6496 8.6496 8.6496 8.6496 9.1192 9.1192 9.1192 9.1192 9.1582 9.1582 11.0180 11.0180 11.0180 11.0180 13.2516 13.2516 14.1893 14.1893 14.6936 14.6936 14.6936 14.6936 k = 0.0106 0.0061 0.0043 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4344 -0.4344 7.9484 7.9484 8.1880 8.1894 8.1894 8.1918 8.6474 8.6515 8.6515 8.6557 9.1175 9.1179 9.1179 9.1213 9.1578 9.1578 11.0170 11.0177 11.0177 11.0184 13.2502 13.2502 14.1885 14.1885 14.6908 14.6914 14.6914 14.6923 k = 0.0213 0.0123 0.0087 ( 4279 PWs) bands (ev): -67.4240 -67.4240 -37.2112 -37.2112 -36.0107 -36.0107 -36.0107 -36.0107 -0.4306 -0.4306 7.9432 7.9432 8.1815 8.1832 8.1832 8.1888 8.6488 8.6568 8.6568 8.6654 9.1139 9.1139 9.1164 9.1241 9.1567 9.1567 11.0153 11.0167 11.0167 11.0182 13.2459 13.2459 14.1860 14.1860 14.6841 14.6852 14.6852 14.6871 k = 0.0319 0.0184 0.0130 ( 4252 PWs) bands (ev): -67.4209 -67.4209 -37.2111 -37.2111 -36.0106 -36.0106 -36.0106 -36.0106 -0.4242 -0.4242 7.9388 7.9388 8.1748 8.1790 8.1790 8.1854 8.6552 8.6674 8.6674 8.6799 9.1079 9.1079 9.1163 9.1282 9.1554 9.1554 11.0195 11.0217 11.0217 11.0239 13.2396 13.2396 14.1894 14.1894 14.6779 14.6824 14.6849 14.6849 k = 0.0426 0.0246 0.0174 ( 4243 PWs) bands (ev): -67.4199 -67.4199 -37.2111 -37.2111 -36.0106 -36.0106 -36.0105 -36.0105 -0.4154 -0.4154 7.9276 7.9276 8.1644 8.1651 8.1651 8.1778 8.6640 8.6802 8.6802 8.6966 9.0984 9.0984 9.1165 9.1328 9.1542 9.1542 11.0199 11.0228 11.0228 11.0258 13.2293 13.2293 14.1854 14.1854 14.6657 14.6717 14.6721 14.6721 k = 0.0532 0.0307 0.0217 ( 4237 PWs) bands (ev): -67.4192 -67.4192 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.4041 -0.4041 7.9131 7.9131 8.1476 8.1476 8.1526 8.1683 8.6750 8.6950 8.6950 8.7151 9.0862 9.0862 9.1174 9.1382 9.1533 9.1533 11.0165 11.0201 11.0201 11.0238 13.2146 13.2146 14.1810 14.1810 14.6509 14.6568 14.6568 14.6583 k = 0.0638 0.0369 0.0261 ( 4231 PWs) bands (ev): -67.4185 -67.4185 -37.2112 -37.2112 -36.0106 -36.0106 -36.0106 -36.0106 -0.3903 -0.3903 7.8941 7.8941 8.1262 8.1262 8.1379 8.1554 8.6886 8.7127 8.7127 8.7360 9.0720 9.0720 9.1189 9.1445 9.1527 9.1527 11.0153 11.0195 11.0195 11.0240 13.1951 13.1951 14.1736 14.1736 14.6301 14.6389 14.6393 14.6393 k = 0.0745 0.0430 0.0304 ( 4219 PWs) bands (ev): -67.4172 -67.4172 -37.2112 -37.2112 -36.0106 -36.0106 -36.0105 -36.0105 -0.3740 -0.3740 7.8721 7.8721 8.1028 8.1028 8.1235 8.1424 8.7039 8.7324 8.7324 8.7586 9.0564 9.0564 9.1215 9.1522 9.1527 9.1527 11.0138 11.0186 11.0186 11.0239 13.1704 13.1704 14.1677 14.1677 14.6088 14.6190 14.6226 14.6226 k = 0.0851 0.0491 0.0347 ( 4219 PWs) bands (ev): -67.4172 -67.4172 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0105 -0.3553 -0.3553 7.8442 7.8442 8.0756 8.0756 8.1063 8.1261 8.7194 8.7527 8.7527 8.7807 9.0398 9.0398 9.1250 9.1531 9.1531 9.1608 11.0084 11.0139 11.0139 11.0199 13.1388 13.1388 14.1576 14.1576 14.5810 14.5925 14.6046 14.6046 k = 0.0957 0.0553 0.0391 ( 4207 PWs) bands (ev): -67.4158 -67.4158 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.3342 -0.3342 7.8132 7.8132 8.0489 8.0489 8.0892 8.1097 8.7358 8.7745 8.7745 8.8038 9.0233 9.0233 9.1302 9.1543 9.1543 9.1713 11.0056 11.0116 11.0116 11.0184 13.1044 13.1044 14.1475 14.1475 14.5519 14.5646 14.5908 14.5908 k = 0.1064 0.0614 0.0434 ( 4207 PWs) bands (ev): -67.4158 -67.4158 -37.2112 -37.2112 -36.0107 -36.0107 -36.0106 -36.0106 -0.3107 -0.3107 7.7742 7.7742 8.0193 8.0193 8.0709 8.0919 8.7518 8.7956 8.7956 8.8258 9.0072 9.0072 9.1369 9.1563 9.1563 9.1830 10.9992 11.0058 11.0058 11.0133 13.0598 13.0598 14.1337 14.1337 14.5188 14.5327 14.5770 14.5770 k = 0.1170 0.0676 0.0478 ( 4204 PWs) bands (ev): -67.4155 -67.4155 -37.2113 -37.2113 -36.0108 -36.0108 -36.0106 -36.0106 -0.2848 -0.2848 7.7291 7.7291 7.9909 7.9909 8.0534 8.0746 8.7675 8.8161 8.8161 8.8472 8.9927 8.9927 9.1461 9.1595 9.1595 9.1970 10.9914 10.9985 10.9985 11.0067 13.0089 13.0089 14.1191 14.1191 14.4857 14.5007 14.5674 14.5674 k = 0.1277 0.0737 0.0521 ( 4204 PWs) bands (ev): -67.4154 -67.4154 -37.2113 -37.2113 -36.0109 -36.0109 -36.0106 -36.0106 -0.2566 -0.2566 7.6764 7.6764 7.9627 7.9627 8.0348 8.0561 8.7824 8.8342 8.8342 8.8668 8.9807 8.9807 9.1576 9.1641 9.1641 9.2126 10.9842 10.9917 10.9917 11.0007 12.9511 12.9511 14.0996 14.0996 14.4484 14.4644 14.5613 14.5613 k = 0.1383 0.0798 0.0565 ( 4192 PWs) bands (ev): -67.4140 -67.4140 -37.2113 -37.2113 -36.0109 -36.0109 -36.0106 -36.0105 -0.2261 -0.2261 7.6167 7.6167 7.9379 7.9379 8.0187 8.0401 8.7973 8.8491 8.8491 8.8861 8.9732 8.9732 9.1713 9.1713 9.1727 9.2314 10.9788 10.9869 10.9869 10.9966 12.8871 12.8871 14.0814 14.0814 14.4142 14.4313 14.5601 14.5601 k = 0.1489 0.0860 0.0608 ( 4204 PWs) bands (ev): -67.4154 -67.4154 -37.2114 -37.2114 -36.0111 -36.0111 -36.0106 -36.0106 -0.1935 -0.1935 7.5476 7.5476 7.9118 7.9118 7.9998 8.0211 8.8095 8.8572 8.8572 8.9007 8.9699 8.9699 9.1801 9.1801 9.1900 9.2506 10.9673 10.9759 10.9759 10.9863 12.8121 12.8121 14.0541 14.0541 14.3725 14.3906 14.5615 14.5615 k = 0.1596 0.0921 0.0651 ( 4198 PWs) bands (ev): -67.4147 -67.4147 -37.2114 -37.2114 -36.0112 -36.0112 -36.0106 -36.0106 -0.1586 -0.1586 7.4768 7.4768 7.8884 7.8884 7.9817 8.0028 8.8209 8.8600 8.8600 8.9133 8.9722 8.9722 9.1927 9.1927 9.2113 9.2730 10.9596 10.9686 10.9686 10.9796 12.7442 12.7442 14.0245 14.0245 14.3304 14.3494 14.5666 14.5666 k = 0.1702 0.0983 0.0695 ( 4198 PWs) bands (ev): -67.4147 -67.4147 -37.2115 -37.2115 -36.0113 -36.0113 -36.0107 -36.0106 -0.1215 -0.1215 7.3982 7.3982 7.8659 7.8659 7.9639 7.9847 8.8307 8.8577 8.8577 8.9232 8.9776 8.9776 9.2088 9.2088 9.2358 9.2973 10.9509 10.9603 10.9603 10.9720 12.6668 12.6668 13.9917 13.9917 14.2869 14.3067 14.5735 14.5735 k = 0.1809 0.1044 0.0738 ( 4203 PWs) bands (ev): -67.4153 -67.4153 -37.2116 -37.2116 -36.0114 -36.0114 -36.0107 -36.0107 -0.0825 -0.0825 7.3145 7.3145 7.8440 7.8440 7.9458 7.9663 8.8388 8.8527 8.8527 8.9302 8.9836 8.9836 9.2281 9.2281 9.2624 9.3227 10.9409 10.9507 10.9507 10.9630 12.5866 12.5866 13.9546 13.9546 14.2406 14.2612 14.5818 14.5818 k = 0.1915 0.1106 0.0782 ( 4191 PWs) bands (ev): -67.4140 -67.4140 -37.2116 -37.2116 -36.0114 -36.0114 -36.0107 -36.0107 -0.0413 -0.0413 7.2285 7.2285 7.8244 7.8244 7.9292 7.9495 8.8461 8.8470 8.8470 8.9359 8.9895 8.9895 9.2530 9.2530 9.2936 9.3523 10.9341 10.9441 10.9441 10.9571 12.5106 12.5106 13.9185 13.9185 14.1966 14.2178 14.5907 14.5907 k = 0.2021 0.1167 0.0825 ( 4182 PWs) bands (ev): -67.4130 -67.4130 -37.2116 -37.2116 -36.0115 -36.0115 -36.0107 -36.0106 0.0017 0.0017 7.1377 7.1377 7.8063 7.8063 7.9138 7.9337 8.8412 8.8412 8.8523 8.9398 8.9940 8.9940 9.2811 9.2811 9.3267 9.3831 10.9246 10.9349 10.9349 10.9485 12.4312 12.4312 13.8817 13.8817 14.1527 14.1746 14.5995 14.5995 k = 0.2128 0.1228 0.0869 ( 4185 PWs) bands (ev): -67.4133 -67.4133 -37.2117 -37.2117 -36.0116 -36.0116 -36.0107 -36.0107 0.0465 0.0465 7.0415 7.0415 7.7876 7.7876 7.8975 7.9170 8.8348 8.8348 8.8568 8.9416 8.9964 8.9964 9.3118 9.3118 9.3612 9.4149 10.9150 10.9255 10.9255 10.9398 12.3422 12.3422 13.8404 13.8404 14.1054 14.1279 14.6075 14.6075 k = 0.2234 0.1290 0.0912 ( 4191 PWs) bands (ev): -67.4141 -67.4141 -37.2118 -37.2118 -36.0118 -36.0118 -36.0108 -36.0107 0.0931 0.0931 6.9437 6.9437 7.7692 7.7692 7.8811 7.9001 8.8294 8.8294 8.8600 8.9416 8.9970 8.9970 9.3440 9.3440 9.3962 9.4469 10.9030 10.9136 10.9136 10.9285 12.2573 12.2573 13.7963 13.7963 14.0562 14.0792 14.6145 14.6145 k = 0.2340 0.1351 0.0955 ( 4191 PWs) bands (ev): -67.4141 -67.4141 -37.2118 -37.2118 -36.0119 -36.0119 -36.0108 -36.0108 0.1413 0.1413 6.8435 6.8435 7.7521 7.7521 7.8658 7.8843 8.8246 8.8246 8.8626 8.9410 8.9967 8.9967 9.3794 9.3794 9.4336 9.4813 10.8932 10.9039 10.9039 10.9194 12.1710 12.1710 13.7527 13.7527 14.0080 14.0314 14.6203 14.6203 k = 0.2447 0.1413 0.0999 ( 4191 PWs) bands (ev): -67.4142 -67.4142 -37.2119 -37.2119 -36.0120 -36.0120 -36.0108 -36.0108 0.1910 0.1910 6.7415 6.7415 7.7359 7.7359 7.8511 7.8692 8.8208 8.8208 8.8644 8.9396 8.9953 8.9953 9.4165 9.4165 9.4721 9.5169 10.8835 10.8941 10.8941 10.9103 12.0850 12.0850 13.7083 13.7083 13.9595 13.9833 14.6246 14.6246 k = 0.2553 0.1474 0.1042 ( 4197 PWs) bands (ev): -67.4149 -67.4149 -37.2120 -37.2120 -36.0121 -36.0121 -36.0108 -36.0108 0.2421 0.2421 6.6377 6.6377 7.7201 7.7201 7.8367 7.8543 8.8174 8.8174 8.8652 8.9371 8.9929 8.9929 9.4544 9.4544 9.5108 9.5526 10.8718 10.8823 10.8823 10.8992 11.9975 11.9975 13.6627 13.6627 13.9103 13.9344 14.6272 14.6272 k = 0.2660 0.1536 0.1086 ( 4203 PWs) bands (ev): -67.4156 -67.4156 -37.2120 -37.2120 -36.0123 -36.0123 -36.0109 -36.0109 0.2945 0.2945 6.5336 6.5336 7.7046 7.7046 7.8226 7.8396 8.8152 8.8152 8.8655 8.9341 8.9898 8.9898 9.4931 9.4931 9.5499 9.5888 10.8597 10.8700 10.8700 10.8876 11.9130 11.9130 13.6163 13.6163 13.8608 13.8852 14.6286 14.6286 k = 0.2766 0.1597 0.1129 ( 4209 PWs) bands (ev): -67.4163 -67.4163 -37.2121 -37.2121 -36.0124 -36.0124 -36.0109 -36.0109 0.3480 0.3480 6.4282 6.4282 7.6904 7.6904 7.8096 7.8260 8.8132 8.8132 8.8654 8.9307 8.9863 8.9863 9.5332 9.5332 9.5901 9.6262 10.8492 10.8591 10.8591 10.8775 11.8249 11.8249 13.5704 13.5704 13.8122 13.8366 14.6279 14.6279 k = 0.2872 0.1658 0.1173 ( 4215 PWs) bands (ev): -67.4170 -67.4170 -37.2122 -37.2122 -36.0126 -36.0126 -36.0110 -36.0109 0.4024 0.4024 6.3238 6.3238 7.6764 7.6764 7.7967 7.8125 8.8127 8.8127 8.8649 8.9270 8.9825 8.9825 9.5734 9.5734 9.6300 9.6633 10.8363 10.8457 10.8457 10.8650 11.7435 11.7435 13.5245 13.5245 13.7638 13.7883 14.6265 14.6265 k = 0.2979 0.1720 0.1216 ( 4209 PWs) bands (ev): -67.4163 -67.4163 -37.2122 -37.2122 -36.0126 -36.0126 -36.0110 -36.0110 0.4576 0.4576 6.2198 6.2198 7.6642 7.6642 7.7855 7.8007 8.8131 8.8131 8.8647 8.9237 8.9791 8.9791 9.6161 9.6161 9.6722 9.7029 10.8278 10.8363 10.8363 10.8566 11.6644 11.6644 13.4807 13.4807 13.7178 13.7422 14.6241 14.6241 k = 0.3085 0.1781 0.1259 ( 4209 PWs) bands (ev): -67.4164 -67.4164 -37.2123 -37.2123 -36.0128 -36.0128 -36.0110 -36.0110 0.5133 0.5133 6.1163 6.1163 7.6523 7.6523 7.7746 7.7892 8.8138 8.8138 8.8637 8.9197 8.9750 8.9750 9.6583 9.6583 9.7135 9.7418 10.8182 10.8258 10.8258 10.8472 11.5852 11.5852 13.4361 13.4361 13.6713 13.6955 14.6201 14.6201 k = 0.3191 0.1843 0.1303 ( 4206 PWs) bands (ev): -67.4161 -67.4161 -37.2123 -37.2123 -36.0129 -36.0129 -36.0110 -36.0110 0.5693 0.5693 6.0148 6.0148 7.6407 7.6407 7.7641 7.7780 8.8163 8.8163 8.8625 8.9154 8.9709 8.9709 9.7002 9.7002 9.7543 9.7801 10.8088 10.8152 10.8152 10.8378 11.5136 11.5136 13.3912 13.3912 13.6249 13.6488 14.6165 14.6165 k = 0.3298 0.1904 0.1346 ( 4206 PWs) bands (ev): -67.4161 -67.4161 -37.2124 -37.2124 -36.0130 -36.0130 -36.0110 -36.0110 0.6253 0.6253 5.9147 5.9147 7.6298 7.6298 7.7541 7.7673 8.8188 8.8188 8.8611 8.9109 8.9668 8.9668 9.7418 9.7418 9.7947 9.8180 10.7994 10.8045 10.8045 10.8283 11.4416 11.4416 13.3470 13.3470 13.5794 13.6029 14.6117 14.6117 k = 0.3404 0.1965 0.1390 ( 4206 PWs) bands (ev): -67.4161 -67.4161 -37.2124 -37.2124 -36.0131 -36.0131 -36.0111 -36.0110 0.6812 0.6812 5.8167 5.8167 7.6196 7.6196 7.7447 7.7573 8.8219 8.8219 8.8596 8.9063 8.9627 8.9627 9.7833 9.7833 9.8346 9.8556 10.7901 10.7935 10.7935 10.8188 11.3726 11.3726 13.3037 13.3037 13.5351 13.5581 14.6065 14.6065 k = 0.3511 0.2027 0.1433 ( 4206 PWs) bands (ev): -67.4162 -67.4162 -37.2125 -37.2125 -36.0132 -36.0132 -36.0111 -36.0111 0.7364 0.7364 5.7214 5.7214 7.6100 7.6100 7.7360 7.7478 8.8255 8.8255 8.8581 8.9018 8.9588 8.9588 9.8242 9.8242 9.8738 9.8925 10.7810 10.7825 10.7825 10.8093 11.3067 11.3067 13.2616 13.2616 13.4922 13.5146 14.6009 14.6009 k = 0.3617 0.2088 0.1477 ( 4209 PWs) bands (ev): -67.4165 -67.4165 -37.2126 -37.2126 -36.0133 -36.0133 -36.0111 -36.0111 0.7907 0.7907 5.6289 5.6289 7.6011 7.6011 7.7280 7.7390 8.8288 8.8288 8.8566 8.8972 8.9550 8.9550 9.8645 9.8645 9.9121 9.9286 10.7711 10.7711 10.7718 10.7997 11.2414 11.2414 13.2209 13.2209 13.4509 13.4725 14.5945 14.5945 k = 0.3723 0.2150 0.1520 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2126 -37.2126 -36.0133 -36.0133 -36.0111 -36.0111 0.8439 0.8439 5.5404 5.5404 7.5929 7.5929 7.7206 7.7309 8.8335 8.8335 8.8554 8.8929 8.9519 8.9519 9.9046 9.9046 9.9500 9.9644 10.7619 10.7619 10.7653 10.7924 11.1842 11.1842 13.1820 13.1820 13.4117 13.4324 14.5894 14.5894 k = 0.3830 0.2211 0.1564 ( 4209 PWs) bands (ev): -67.4165 -67.4165 -37.2126 -37.2126 -36.0134 -36.0134 -36.0112 -36.0111 0.8953 0.8953 5.4559 5.4559 7.5850 7.5850 7.7135 7.7230 8.8378 8.8378 8.8540 8.8884 8.9486 8.9486 9.9421 9.9421 9.9850 9.9972 10.7473 10.7473 10.7536 10.7800 11.1288 11.1288 13.1447 13.1447 13.3742 13.3938 14.5837 14.5837 k = 0.3936 0.2273 0.1607 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2127 -37.2127 -36.0135 -36.0135 -36.0111 -36.0111 0.9446 0.9446 5.3760 5.3760 7.5786 7.5786 7.7078 7.7165 8.8423 8.8423 8.8534 8.8847 8.9465 8.9465 9.9803 9.9803 10.0205 10.0308 10.7368 10.7368 10.7465 10.7719 11.0780 11.0780 13.1107 13.1107 13.3402 13.3586 14.5783 14.5783 k = 0.4043 0.2334 0.1650 ( 4197 PWs) bands (ev): -67.4151 -67.4151 -37.2127 -37.2127 -36.0135 -36.0135 -36.0111 -36.0111 0.9914 0.9914 5.3014 5.3014 7.5728 7.5728 7.7027 7.7106 8.8467 8.8467 8.8529 8.8812 8.9448 8.9448 10.0168 10.0168 10.0541 10.0626 10.7267 10.7267 10.7403 10.7643 11.0313 11.0313 13.0789 13.0789 13.3084 13.3255 14.5731 14.5731 k = 0.4149 0.2395 0.1694 ( 4197 PWs) bands (ev): -67.4151 -67.4151 -37.2127 -37.2127 -36.0136 -36.0136 -36.0112 -36.0111 1.0351 1.0351 5.2325 5.2325 7.5672 7.5672 7.6978 7.7049 8.8507 8.8507 8.8521 8.8773 8.9430 8.9430 10.0503 10.0503 10.0845 10.0913 10.7153 10.7153 10.7329 10.7554 10.9885 10.9885 13.0488 13.0488 13.2786 13.2942 14.5683 14.5683 k = 0.4255 0.2457 0.1737 ( 4197 PWs) bands (ev): -67.4151 -67.4151 -37.2128 -37.2128 -36.0136 -36.0136 -36.0112 -36.0112 1.0753 1.0753 5.1699 5.1699 7.5622 7.5622 7.6935 7.6997 8.8515 8.8543 8.8543 8.8736 8.9417 8.9417 10.0815 10.0815 10.1124 10.1177 10.7040 10.7040 10.7260 10.7467 10.9504 10.9504 13.0215 13.0215 13.2518 13.2658 14.5639 14.5639 k = 0.4362 0.2518 0.1781 ( 4203 PWs) bands (ev): -67.4157 -67.4157 -37.2128 -37.2128 -36.0137 -36.0137 -36.0112 -36.0112 1.1113 1.1113 5.1141 5.1141 7.5579 7.5579 7.6899 7.6952 8.8509 8.8567 8.8567 8.8699 8.9403 8.9403 10.1099 10.1099 10.1375 10.1414 10.6919 10.6919 10.7186 10.7372 10.9131 10.9131 12.9972 12.9972 13.2282 13.2405 14.5586 14.5586 k = 0.4468 0.2580 0.1824 ( 4191 PWs) bands (ev): -67.4143 -67.4143 -37.2128 -37.2128 -36.0137 -36.0137 -36.0112 -36.0112 1.1430 1.1430 5.0660 5.0660 7.5546 7.5546 7.6873 7.6918 8.8516 8.8598 8.8598 8.8674 8.9405 8.9405 10.1364 10.1364 10.1609 10.1638 10.6879 10.6879 10.7196 10.7357 10.8855 10.8855 12.9768 12.9768 13.2084 13.2189 14.5558 14.5558 k = 0.4574 0.2641 0.1868 ( 4191 PWs) bands (ev): -67.4143 -67.4143 -37.2128 -37.2128 -36.0137 -36.0137 -36.0112 -36.0112 1.1696 1.1696 5.0258 5.0258 7.5515 7.5515 7.6847 7.6883 8.8514 8.8625 8.8625 8.8640 8.9404 8.9404 10.1577 10.1577 10.1793 10.1812 10.6778 10.6778 10.7141 10.7274 10.8648 10.8648 12.9589 12.9589 13.1915 13.2000 14.5539 14.5539 k = 0.4681 0.2702 0.1911 ( 4188 PWs) bands (ev): -67.4139 -67.4139 -37.2128 -37.2128 -36.0138 -36.0138 -36.0111 -36.0111 1.1906 1.1906 4.9939 4.9939 7.5503 7.5503 7.6842 7.6869 8.8519 8.8614 8.8638 8.8638 8.9402 8.9402 10.1779 10.1779 10.1971 10.1983 10.6682 10.6682 10.7086 10.7190 10.8458 10.8458 12.9460 12.9460 13.1794 13.1858 14.5504 14.5504 k = 0.4787 0.2764 0.1954 ( 4188 PWs) bands (ev): -67.4139 -67.4139 -37.2128 -37.2128 -36.0138 -36.0138 -36.0111 -36.0111 1.2060 1.2060 4.9709 4.9709 7.5487 7.5487 7.6831 7.6849 8.8527 8.8591 8.8649 8.8649 8.9403 8.9403 10.1911 10.1911 10.2082 10.2088 10.6621 10.6621 10.7066 10.7137 10.8327 10.8327 12.9361 12.9361 13.1705 13.1748 14.5488 14.5488 k = 0.4894 0.2825 0.1998 ( 4176 PWs) bands (ev): -67.4125 -67.4125 -37.2128 -37.2128 -36.0138 -36.0138 -36.0111 -36.0111 1.2154 1.2154 4.9570 4.9570 7.5483 7.5483 7.6833 7.6842 8.8546 8.8578 8.8660 8.8660 8.9410 8.9410 10.2009 10.2009 10.2169 10.2172 10.6633 10.6633 10.7111 10.7147 10.8258 10.8258 12.9307 12.9307 13.1660 13.1682 14.5481 14.5481 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -67.4111 -67.4111 -37.2128 -37.2128 -36.0137 -36.0137 -36.0111 -36.0111 1.2187 1.2187 4.9525 4.9525 7.5481 7.5481 7.6836 7.6836 8.8567 8.8567 8.8675 8.8675 8.9423 8.9423 10.2038 10.2038 10.2196 10.2196 10.6660 10.6660 10.7161 10.7161 10.8287 10.8287 12.9290 12.9290 13.1653 13.1653 14.5499 14.5499 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -67.4111 -67.4111 -37.2128 -37.2128 -36.0137 -36.0137 -36.0111 -36.0111 1.2187 1.2187 4.9525 4.9525 7.5481 7.5481 7.6836 7.6836 8.8567 8.8567 8.8675 8.8675 8.9423 8.9423 10.2038 10.2038 10.2196 10.2196 10.6660 10.6660 10.7161 10.7161 10.8287 10.8287 12.9290 12.9290 13.1653 13.1653 14.5499 14.5499 k = 0.5038 0.2777 0.2103 ( 4174 PWs) bands (ev): -67.4123 -67.4123 -37.2128 -37.2128 -36.0138 -36.0137 -36.0111 -36.0111 1.2192 1.2196 4.9532 4.9546 7.5457 7.5478 7.6823 7.6823 8.8562 8.8563 8.8665 8.8676 8.9412 8.9425 10.2003 10.2018 10.2167 10.2167 10.6601 10.6654 10.7132 10.7136 10.8250 10.8280 12.9216 12.9220 13.1565 13.1565 14.5529 14.5613 k = 0.5076 0.2668 0.2165 ( 4188 PWs) bands (ev): -67.4139 -67.4139 -37.2129 -37.2128 -36.0139 -36.0137 -36.0112 -36.0112 1.2211 1.2219 4.9567 4.9595 7.5422 7.5464 7.6800 7.6801 8.8556 8.8560 8.8656 8.8676 8.9399 8.9424 10.1951 10.1983 10.2119 10.2120 10.6502 10.6607 10.7067 10.7075 10.8198 10.8256 12.9006 12.9017 13.1322 13.1324 14.5694 14.5858 k = 0.5114 0.2559 0.2227 ( 4190 PWs) bands (ev): -67.4141 -67.4141 -37.2129 -37.2128 -36.0139 -36.0137 -36.0112 -36.0112 1.2244 1.2255 4.9630 4.9673 7.5380 7.5447 7.6780 7.6784 8.8555 8.8568 8.8656 8.8678 8.9395 8.9431 10.1893 10.1942 10.2090 10.2092 10.6433 10.6588 10.7035 10.7045 10.8146 10.8232 12.8661 12.8687 13.0961 13.0970 14.5972 14.6205 k = 0.5152 0.2449 0.2289 ( 4193 PWs) bands (ev): -67.4145 -67.4145 -37.2130 -37.2128 -36.0140 -36.0137 -36.0112 -36.0112 1.2291 1.2305 4.9721 4.9779 7.5321 7.5413 7.6755 7.6766 8.8549 8.8581 8.8665 8.8677 8.9395 8.9438 10.1805 10.1871 10.2060 10.2060 10.6346 10.6541 10.6989 10.6992 10.8087 10.8198 12.8171 12.8221 13.0519 13.0540 14.6327 14.6615 k = 0.5189 0.2340 0.2351 ( 4199 PWs) bands (ev): -67.4151 -67.4151 -37.2130 -37.2127 -36.0140 -36.0137 -36.0113 -36.0113 1.2351 1.2369 4.9841 4.9914 7.5234 7.5353 7.6725 7.6745 8.8533 8.8595 8.8669 8.8682 8.9399 8.9443 10.1671 10.1753 10.2018 10.2024 10.6240 10.6481 10.6929 10.6936 10.8029 10.8160 12.7535 12.7616 13.0024 13.0062 14.6725 14.7052 k = 0.5227 0.2231 0.2412 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2131 -37.2127 -36.0140 -36.0137 -36.0113 -36.0113 1.2425 1.2447 4.9989 5.0077 7.5121 7.5269 7.6698 7.6727 8.8515 8.8607 8.8663 8.8702 8.9407 8.9448 10.1516 10.1616 10.1960 10.1971 10.6114 10.6396 10.6853 10.6863 10.7974 10.8119 12.6785 12.6901 12.9497 12.9553 14.7126 14.7473 k = 0.5265 0.2121 0.2474 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2131 -37.2127 -36.0141 -36.0136 -36.0114 -36.0113 1.2512 1.2538 5.0164 5.0268 7.4986 7.5162 7.6690 7.6731 8.8501 8.8612 8.8675 8.8731 8.9426 8.9460 10.1345 10.1468 10.1928 10.1945 10.5951 10.6285 10.6752 10.6785 10.7938 10.8086 12.5964 12.6115 12.8962 12.9037 14.7499 14.7847 k = 0.5303 0.2012 0.2536 ( 4200 PWs) bands (ev): -67.4153 -67.4153 -37.2131 -37.2127 -36.0141 -36.0136 -36.0114 -36.0114 1.2612 1.2642 5.0368 5.0487 7.4816 7.5019 7.6703 7.6754 8.8482 8.8601 8.8701 8.8770 8.9456 8.9473 10.1137 10.1283 10.1911 10.1935 10.5823 10.6186 10.6679 10.6715 10.7903 10.8053 12.5089 12.5273 12.8417 12.8509 14.7825 14.8157 k = 0.5341 0.1903 0.2598 ( 4202 PWs) bands (ev): -67.4155 -67.4155 -37.2132 -37.2127 -36.0141 -36.0136 -36.0114 -36.0114 1.2724 1.2757 5.0599 5.0734 7.4610 7.4837 7.6722 7.6782 8.8455 8.8567 8.8739 8.8807 8.9483 8.9489 10.0897 10.1074 10.1864 10.1894 10.5642 10.6045 10.6573 10.6626 10.7862 10.8003 12.4181 12.4397 12.7843 12.7950 14.8087 14.8387 k = 0.5379 0.1793 0.2660 ( 4202 PWs) bands (ev): -67.4155 -67.4155 -37.2132 -37.2127 -36.0142 -36.0135 -36.0115 -36.0114 1.2848 1.2884 5.0856 5.1009 7.4374 7.4623 7.6757 7.6824 8.8425 8.8524 8.8785 8.8848 8.9495 8.9530 10.0640 10.0853 10.1809 10.1846 10.5444 10.5883 10.6458 10.6531 10.7827 10.7953 12.3278 12.3524 12.7251 12.7371 14.8283 14.8542 k = 0.5417 0.1684 0.2722 ( 4196 PWs) bands (ev): -67.4148 -67.4148 -37.2133 -37.2127 -36.0142 -36.0135 -36.0115 -36.0115 1.2982 1.3022 5.1141 5.1311 7.4106 7.4375 7.6814 7.6887 8.8392 8.8473 8.8839 8.8895 8.9510 8.9580 10.0358 10.0613 10.1772 10.1815 10.5245 10.5715 10.6347 10.6440 10.7808 10.7912 12.2397 12.2670 12.6654 12.6786 14.8416 14.8627 k = 0.5455 0.1575 0.2784 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2133 -37.2127 -36.0142 -36.0135 -36.0115 -36.0115 1.3127 1.3170 5.1452 5.1641 7.3801 7.4088 7.6884 7.6960 8.8348 8.8407 8.8898 8.8943 8.9524 8.9635 10.0039 10.0341 10.1727 10.1776 10.5010 10.5515 10.6221 10.6340 10.7793 10.7868 12.1530 12.1829 12.6041 12.6186 14.8484 14.8645 k = 0.5492 0.1465 0.2845 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2133 -37.2127 -36.0142 -36.0134 -36.0116 -36.0115 1.3281 1.3328 5.1790 5.1997 7.3464 7.3767 7.6962 7.7042 8.8294 8.8331 8.8961 8.8992 8.9540 8.9694 9.9696 10.0052 10.1667 10.1723 10.4746 10.5289 10.6087 10.6235 10.7780 10.7823 12.0699 12.1023 12.5413 12.5568 14.8497 14.8611 k = 0.5530 0.1356 0.2907 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2134 -37.2127 -36.0142 -36.0134 -36.0117 -36.0116 1.3444 1.3494 5.2152 5.2380 7.3100 7.3418 7.7051 7.7134 8.8232 8.8244 8.9026 8.9038 8.9555 8.9756 9.9335 9.9751 10.1604 10.1667 10.4461 10.5039 10.5950 10.6127 10.7771 10.7779 11.9921 12.0267 12.4777 12.4943 14.8465 14.8534 k = 0.5568 0.1247 0.2969 ( 4198 PWs) bands (ev): -67.4151 -67.4151 -37.2134 -37.2127 -36.0143 -36.0134 -36.0117 -36.0116 1.3614 1.3668 5.2540 5.2789 7.2699 7.3033 7.7150 7.7235 8.8143 8.8156 8.9086 8.9096 8.9572 8.9822 9.8939 9.9421 10.1537 10.1606 10.4148 10.4765 10.5808 10.6015 10.7731 10.7756 11.9170 11.9537 12.4135 12.4311 14.8387 14.8416 k = 0.5606 0.1137 0.3031 ( 4202 PWs) bands (ev): -67.4156 -67.4156 -37.2135 -37.2127 -36.0143 -36.0134 -36.0118 -36.0117 1.3791 1.3848 5.2952 5.3224 7.2271 7.2620 7.7257 7.7343 8.8027 8.8064 8.9134 8.9170 8.9593 8.9892 9.8526 9.9077 10.1459 10.1536 10.3841 10.4492 10.5671 10.5907 10.7684 10.7745 11.8470 11.8858 12.3488 12.3675 14.8272 14.8277 k = 0.5644 0.1028 0.3093 ( 4200 PWs) bands (ev): -67.4154 -67.4154 -37.2135 -37.2127 -36.0144 -36.0133 -36.0119 -36.0117 1.3974 1.4034 5.3388 5.3685 7.1823 7.2187 7.7376 7.7465 8.7905 8.7963 8.9186 8.9251 8.9621 8.9968 9.8113 9.8735 10.1386 10.1470 10.3546 10.4227 10.5527 10.5789 10.7651 10.7748 11.7845 11.8253 12.2846 12.3043 14.8124 14.8158 k = 0.5682 0.0919 0.3155 ( 4205 PWs) bands (ev): -67.4160 -67.4159 -37.2136 -37.2127 -36.0144 -36.0133 -36.0119 -36.0118 1.4161 1.4224 5.3846 5.4170 7.1348 7.1730 7.7497 7.7587 8.7762 8.7839 8.9230 8.9329 8.9646 9.0039 9.7690 9.8385 10.1292 10.1384 10.3248 10.3953 10.5362 10.5650 10.7605 10.7740 11.7269 11.7696 12.2191 12.2398 14.7950 14.8010 k = 0.5720 0.0809 0.3217 ( 4207 PWs) bands (ev): -67.4162 -67.4162 -37.2136 -37.2127 -36.0144 -36.0133 -36.0120 -36.0118 1.4352 1.4418 5.4326 5.4679 7.0845 7.1245 7.7626 7.7718 8.7607 8.7698 8.9274 8.9410 8.9676 9.0114 9.7256 9.8023 10.1210 10.1308 10.2963 10.3690 10.5228 10.5542 10.7568 10.7738 11.6734 11.7180 12.1555 12.1772 14.7763 14.7843 k = 0.5758 0.0700 0.3278 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2136 -37.2127 -36.0144 -36.0133 -36.0121 -36.0119 1.4545 1.4613 5.4828 5.5213 7.0323 7.0744 7.7764 7.7858 8.7448 8.7550 8.9321 8.9496 8.9712 9.0193 9.6830 9.7669 10.1127 10.1233 10.2702 10.3444 10.5095 10.5435 10.7554 10.7758 11.6274 11.6735 12.0928 12.1156 14.7581 14.7679 k = 0.5795 0.0590 0.3340 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2137 -37.2128 -36.0145 -36.0132 -36.0122 -36.0119 1.4738 1.4809 5.5347 5.5769 6.9781 7.0226 7.7903 7.7997 8.7268 8.7376 8.9367 8.9581 8.9751 9.0272 9.6414 9.7319 10.1023 10.1135 10.2458 10.3209 10.4969 10.5334 10.7528 10.7766 11.5847 11.6326 12.0298 12.0537 14.7393 14.7505 k = 0.5833 0.0481 0.3402 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2137 -37.2128 -36.0145 -36.0132 -36.0122 -36.0120 1.4929 1.5002 5.5882 5.6345 6.9220 6.9695 7.8049 7.8146 8.7072 8.7184 8.9405 8.9662 8.9789 9.0346 9.6008 9.6975 10.0928 10.1046 10.2214 10.2970 10.4838 10.5227 10.7480 10.7747 11.5457 11.5949 11.9685 11.9934 14.7184 14.7307 k = 0.5871 0.0372 0.3464 ( 4195 PWs) bands (ev): -67.4149 -67.4149 -37.2137 -37.2128 -36.0145 -36.0132 -36.0123 -36.0120 1.5117 1.5193 5.6432 5.6942 6.8654 6.9164 7.8211 7.8309 8.6878 8.6989 8.9448 8.9748 8.9837 9.0425 9.5628 9.6652 10.0858 10.0981 10.2009 10.2760 10.4749 10.5160 10.7478 10.7773 11.5149 11.5654 11.9117 11.9378 14.7004 14.7136 k = 0.5909 0.0262 0.3526 ( 4196 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2128 -36.0145 -36.0131 -36.0123 -36.0120 1.5300 1.5378 5.6991 5.7555 6.8074 6.8626 7.8364 7.8464 8.6667 8.6776 8.9485 8.9824 8.9876 9.0494 9.5266 9.6339 10.0751 10.0878 10.1812 10.2553 10.4630 10.5064 10.7451 10.7771 11.4859 11.5374 11.8529 11.8800 14.6804 14.6943 k = 0.5947 0.0153 0.3588 ( 4199 PWs) bands (ev): -67.4154 -67.4154 -37.2138 -37.2128 -36.0145 -36.0131 -36.0124 -36.0121 1.5477 1.5556 5.7554 5.8183 6.7489 6.8093 7.8525 7.8625 8.6449 8.6553 8.9515 8.9894 8.9914 9.0557 9.4923 9.6036 10.0651 10.0781 10.1622 10.2347 10.4526 10.4980 10.7417 10.7756 11.4586 11.5109 11.7966 11.8248 14.6591 14.6735 k = 0.5985 0.0044 0.3649 ( 4195 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2128 -36.0145 -36.0131 -36.0124 -36.0121 1.5644 1.5725 5.8115 5.8821 6.6906 6.7576 7.8693 7.8794 8.6234 8.6333 8.9551 8.9953 8.9962 9.0622 9.4613 9.5755 10.0568 10.0699 10.1468 10.2171 10.4436 10.4910 10.7399 10.7757 11.4356 11.4887 11.7442 11.7735 14.6391 14.6539 k = 0.6023-0.0066 0.3711 ( 4197 PWs) bands (ev): -67.4152 -67.4152 -37.2138 -37.2128 -36.0146 -36.0131 -36.0125 -36.0121 1.5801 1.5883 5.8662 5.9462 6.6337 6.7090 7.8857 7.8960 8.6017 8.6109 8.9584 8.9985 9.0020 9.0680 9.4327 9.5486 10.0459 10.0591 10.1329 10.2004 10.4342 10.4833 10.7368 10.7738 11.4161 11.4695 11.6916 11.7218 14.6186 14.6337 k = 0.6061-0.0175 0.3773 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.5944 1.6028 5.9180 6.0094 6.5797 6.6653 7.9027 7.9130 8.5806 8.5892 8.9611 9.0015 9.0070 9.0728 9.4066 9.5232 10.0343 10.0474 10.1199 10.1841 10.4261 10.4767 10.7339 10.7717 11.3990 11.4524 11.6413 11.6725 14.5978 14.6131 k = 0.6098-0.0284 0.3835 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.6072 1.6156 5.9648 6.0695 6.5312 6.6290 7.9199 7.9303 8.5603 8.5684 8.9637 9.0039 9.0110 9.0771 9.3832 9.4993 10.0236 10.0363 10.1092 10.1696 10.4190 10.4709 10.7318 10.7700 11.3872 11.4402 11.5947 11.6268 14.5769 14.5923 k = 0.6136-0.0394 0.3897 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.6183 1.6267 6.0035 6.1219 6.4928 6.6034 7.9373 7.9477 8.5416 8.5493 8.9663 9.0058 9.0140 9.0809 9.3620 9.4765 10.0121 10.0245 10.1002 10.1566 10.4131 10.4660 10.7302 10.7683 11.3775 11.4298 11.5513 11.5840 14.5567 14.5723 k = 0.6174-0.0503 0.3959 ( 4209 PWs) bands (ev): -67.4167 -67.4167 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6273 1.6357 6.0307 6.1583 6.4730 6.5919 7.9545 7.9649 8.5227 8.5301 8.9679 9.0067 9.0155 9.0831 9.3427 9.4545 9.9988 10.0107 10.0914 10.1435 10.4069 10.4605 10.7274 10.7651 11.3696 11.4207 11.5093 11.5424 14.5318 14.5473 k = 0.6212-0.0612 0.4021 ( 4207 PWs) bands (ev): -67.4165 -67.4165 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6342 1.6425 6.0441 6.1696 6.4820 6.5980 7.9721 7.9825 8.5076 8.5148 8.9701 9.0073 9.0164 9.0855 9.3258 9.4340 9.9851 9.9966 10.0854 10.1332 10.4035 10.4574 10.7285 10.7653 11.3682 11.4172 11.4728 11.5054 14.5114 14.5270 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.6184-0.0684 0.4190 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6390 1.6472 6.0446 6.1569 6.5206 6.6226 7.9845 7.9951 8.4984 8.5054 8.9724 9.0071 9.0168 9.0881 9.3100 9.4135 9.9622 9.9756 10.0881 10.1317 10.4028 10.4569 10.7325 10.7679 11.3612 11.4067 11.4491 11.4829 14.5037 14.5192 k = 0.6118-0.0646 0.4297 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6399 1.6481 6.0485 6.1607 6.5233 6.6252 7.9685 7.9795 8.5042 8.5115 8.9720 9.0062 9.0178 9.0898 9.3085 9.4120 9.9410 9.9564 10.1044 10.1485 10.4014 10.4565 10.7346 10.7701 11.3423 11.3879 11.4624 11.4991 14.5290 14.5444 k = 0.6053-0.0608 0.4405 ( 4196 PWs) bands (ev): -67.4152 -67.4152 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0122 1.6414 1.6497 6.0550 6.1670 6.5278 6.6295 7.9428 7.9548 8.5137 8.5217 8.9714 9.0051 9.0195 9.0923 9.3057 9.4090 9.9153 9.9303 10.1245 10.1693 10.4003 10.4571 10.7377 10.7732 11.3198 11.3647 11.4789 11.5163 14.5724 14.5876 k = 0.5987-0.0570 0.4512 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6435 1.6518 6.0640 6.1759 6.5340 6.6354 7.9080 7.9212 8.5239 8.5333 8.9703 9.0036 9.0215 9.0953 9.3017 9.4044 9.8873 9.9000 10.1447 10.1903 10.3973 10.4562 10.7402 10.7758 11.2950 11.3390 11.4942 11.5315 14.6285 14.6436 k = 0.5921-0.0532 0.4620 ( 4202 PWs) bands (ev): -67.4159 -67.4159 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6461 1.6545 6.0754 6.1872 6.5420 6.6430 7.8656 7.8803 8.5363 8.5476 8.9693 9.0021 9.0238 9.0989 9.2962 9.3981 9.8598 9.8690 10.1645 10.2112 10.3939 10.4552 10.7444 10.7799 11.2694 11.3123 11.5081 11.5447 14.7021 14.7171 k = 0.5855-0.0494 0.4727 ( 4201 PWs) bands (ev): -67.4158 -67.4158 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6492 1.6577 6.0893 6.2010 6.5515 6.6522 7.8166 7.8329 8.5489 8.5623 8.9686 9.0009 9.0264 9.1028 9.2899 9.3909 9.8346 9.8394 10.1831 10.2309 10.3903 10.4543 10.7511 10.7866 11.2479 11.2895 11.5192 11.5551 14.7890 14.8038 k = 0.5789-0.0456 0.4835 ( 4205 PWs) bands (ev): -67.4163 -67.4163 -37.2139 -37.2129 -36.0146 -36.0132 -36.0127 -36.0123 1.6527 1.6613 6.1055 6.2171 6.5625 6.6629 7.7621 7.7797 8.5617 8.5772 8.9679 8.9997 9.0292 9.1067 9.2816 9.3810 9.8103 9.8110 10.1998 10.2487 10.3851 10.4516 10.7568 10.7922 11.2231 11.2632 11.5285 11.5635 14.8893 14.9041 k = 0.5724-0.0418 0.4942 ( 4196 PWs) bands (ev): -67.4152 -67.4152 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6567 1.6654 6.1240 6.2357 6.5749 6.6750 7.7037 7.7223 8.5756 8.5927 8.9680 8.9998 9.0326 9.1111 9.2725 9.3701 9.7849 9.7908 10.2167 10.2663 10.3842 10.4532 10.7663 10.8016 11.2027 11.2413 11.5395 11.5736 15.0025 15.0174 k = 0.5658-0.0380 0.5049 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2139 -37.2129 -36.0146 -36.0132 -36.0127 -36.0123 1.6609 1.6697 6.1447 6.2566 6.5882 6.6883 7.6409 7.6603 8.5876 8.6060 8.9681 8.9996 9.0358 9.1151 9.2618 9.3573 9.7615 9.7731 10.2306 10.2808 10.3790 10.4502 10.7744 10.8095 11.1817 11.2183 11.5440 11.5773 15.1239 15.1390 k = 0.5592-0.0342 0.5157 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0124 1.6653 1.6742 6.1673 6.2797 6.6023 6.7025 7.5755 7.5954 8.5988 8.6179 8.9684 8.9998 9.0391 9.1189 9.2501 9.3431 9.7414 9.7587 10.2434 10.2936 10.3739 10.4471 10.7832 10.8180 11.1613 11.1957 11.5475 11.5801 15.2537 15.2692 k = 0.5526-0.0304 0.5264 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0132 -36.0127 -36.0124 1.6698 1.6789 6.1917 6.3050 6.6166 6.7176 7.5087 7.5287 8.6093 8.6284 8.9694 9.0005 9.0427 9.1227 9.2380 9.3280 9.7247 9.7472 10.2549 10.3045 10.3699 10.4445 10.7922 10.8264 11.1427 11.1747 11.5505 11.5825 15.3913 15.4073 k = 0.5461-0.0266 0.5372 ( 4202 PWs) bands (ev): -67.4160 -67.4159 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6743 1.6835 6.2175 6.3325 6.6306 6.7330 7.4416 7.4615 8.6184 8.6369 8.9706 9.0017 9.0464 9.1261 9.2255 9.3122 9.7112 9.7383 10.2647 10.3130 10.3670 10.4425 10.7990 10.8325 11.1255 11.1547 11.5521 11.5837 15.5339 15.5506 k = 0.5395-0.0228 0.5479 ( 4200 PWs) bands (ev): -67.4157 -67.4157 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6788 1.6880 6.2444 6.3620 6.6431 6.7481 7.3757 7.3953 8.6268 8.6442 8.9723 9.0031 9.0503 9.1295 9.2139 9.2974 9.7008 9.7318 10.2741 10.3200 10.3649 10.4405 10.8087 10.8415 11.1113 11.1375 11.5525 11.5839 15.6809 15.6984 k = 0.5329-0.0190 0.5587 ( 4197 PWs) bands (ev): -67.4154 -67.4154 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6829 1.6923 6.2718 6.3936 6.6529 6.7623 7.3127 7.3321 8.6342 8.6498 8.9742 9.0045 9.0541 9.1326 9.2033 9.2837 9.6930 9.7271 10.2833 10.3250 10.3629 10.4373 10.8194 10.8512 11.0993 11.1219 11.5529 11.5841 15.8303 15.8487 k = 0.5263-0.0152 0.5694 ( 4193 PWs) bands (ev): -67.4149 -67.4149 -37.2140 -37.2129 -36.0146 -36.0131 -36.0127 -36.0124 1.6868 1.6962 6.2988 6.4271 6.6578 6.7743 7.2557 7.2748 8.6408 8.6542 8.9763 9.0060 9.0578 9.1358 9.1937 9.2712 9.6874 9.7239 10.2912 10.3277 10.3636 10.4357 10.8266 10.8574 11.0908 11.1091 11.5536 11.5847 15.9804 15.9999 k = 0.5197-0.0114 0.5801 ( 4195 PWs) bands (ev): -67.4152 -67.4152 -37.2140 -37.2129 -36.0146 -36.0131 -36.0128 -36.0124 1.6900 1.6995 6.3239 6.4623 6.6551 6.7824 7.2073 7.2263 8.6453 8.6560 8.9779 9.0070 9.0607 9.1386 9.1857 9.2609 9.6836 9.7219 10.2959 10.3276 10.3636 10.4329 10.8321 10.8620 11.0834 11.0974 11.5515 11.5825 16.1265 16.1474 k = 0.5132-0.0076 0.5909 ( 4195 PWs) bands (ev): -67.4152 -67.4152 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6925 1.7020 6.3455 6.4992 6.6424 6.7861 7.1709 7.1900 8.6488 8.6564 8.9793 9.0078 9.0630 9.1414 9.1796 9.2537 9.6813 9.7207 10.2996 10.3268 10.3643 10.4310 10.8376 10.8668 11.0792 11.0887 11.5495 11.5807 16.2653 16.2881 k = 0.5066-0.0038 0.6016 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6942 1.7037 6.3608 6.5374 6.6187 6.7860 7.1492 7.1682 8.6521 8.6566 8.9805 9.0086 9.0648 9.1443 9.1758 9.2499 9.6802 9.7201 10.3028 10.3273 10.3662 10.4320 10.8436 10.8722 11.0787 11.0836 11.5505 11.5817 16.3882 16.4143 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6947 1.7043 6.3666 6.5676 6.5929 6.7847 7.1422 7.1612 8.6533 8.6559 8.9808 9.0087 9.0653 9.1455 9.1741 9.2485 9.6798 9.7200 10.3035 10.3272 10.3665 10.4318 10.8445 10.8729 11.0791 11.0805 11.5501 11.5813 16.4484 16.4782 k = 0.5000-0.0000 0.6124 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6947 1.7043 6.3666 6.5676 6.5929 6.7847 7.1422 7.1612 8.6533 8.6559 8.9808 9.0087 9.0653 9.1455 9.1741 9.2485 9.6798 9.7200 10.3035 10.3272 10.3665 10.4318 10.8445 10.8729 11.0791 11.0805 11.5501 11.5813 16.4484 16.4782 k = 0.5000 0.0076 0.6016 ( 4188 PWs) bands (ev): -67.4144 -67.4144 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6938 1.7034 6.3616 6.5626 6.5887 6.7804 7.1524 7.1718 8.6512 8.6570 8.9802 9.0085 9.0646 9.1449 9.1765 9.2519 9.6807 9.7206 10.3026 10.3286 10.3667 10.4320 10.8428 10.8714 11.0796 11.0861 11.5515 11.5827 16.4459 16.4758 k = 0.5000 0.0152 0.5909 ( 4190 PWs) bands (ev): -67.4146 -67.4146 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6909 1.7005 6.3463 6.5366 6.5894 6.7699 7.1803 7.2010 8.6474 8.6577 8.9784 9.0077 9.0627 9.1431 9.1836 9.2618 9.6832 9.7223 10.3001 10.3321 10.3670 10.4325 10.8380 10.8672 11.0848 11.0970 11.5546 11.5857 16.4375 16.4679 k = 0.5000 0.0228 0.5801 ( 4194 PWs) bands (ev): -67.4151 -67.4151 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6861 1.6956 6.3208 6.4913 6.5983 6.7589 7.2206 7.2436 8.6426 8.6573 8.9756 9.0060 9.0601 9.1403 9.1953 9.2772 9.6874 9.7253 10.2962 10.3367 10.3671 10.4334 10.8302 10.8602 11.0943 11.1117 11.5603 11.5913 16.4222 16.4538 k = 0.5000 0.0304 0.5694 ( 4198 PWs) bands (ev): -67.4155 -67.4155 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6795 1.6889 6.2856 6.4349 6.6121 6.7517 7.2680 7.2939 8.6383 8.6564 8.9724 9.0036 9.0568 9.1366 9.2114 9.2972 9.6934 9.7295 10.2935 10.3421 10.3679 10.4340 10.8208 10.8513 11.1096 11.1310 11.5681 11.5988 16.3992 16.4332 k = 0.5000 0.0380 0.5587 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0124 1.6711 1.6805 6.2419 6.3720 6.6302 6.7513 7.3189 7.3481 8.6354 8.6563 8.9693 9.0012 9.0536 9.1325 9.2323 9.3217 9.7013 9.7351 10.2923 10.3497 10.3705 10.4366 10.8134 10.8442 11.1305 11.1553 11.5821 11.6124 16.3680 16.4059 k = 0.5000 0.0456 0.5479 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2140 -37.2129 -36.0146 -36.0130 -36.0128 -36.0123 1.6611 1.6704 6.1914 6.3053 6.6517 6.7576 7.3706 7.4028 8.6333 8.6561 8.9658 8.9978 9.0498 9.1276 9.2565 9.3491 9.7109 9.7420 10.2915 10.3566 10.3730 10.4385 10.8049 10.8357 11.1529 11.1806 11.5985 11.6283 16.3251 16.3675 k = 0.5000 0.0532 0.5372 ( 4192 PWs) bands (ev): -67.4148 -67.4148 -37.2139 -37.2129 -36.0146 -36.0130 -36.0128 -36.0123 1.6495 1.6587 6.1360 6.2365 6.6766 6.7704 7.4212 7.4564 8.6330 8.6568 8.9622 8.9941 9.0458 9.1223 9.2841 9.3794 9.7225 9.7504 10.2921 10.3639 10.3769 10.4412 10.7961 10.8269 11.1787 11.2089 11.6196 11.6490 16.2727 16.3187 k = 0.5000 0.0608 0.5264 ( 4198 PWs) bands (ev): -67.4154 -67.4154 -37.2139 -37.2129 -36.0146 -36.0130 -36.0127 -36.0123 1.6364 1.6455 6.0773 6.1667 6.7040 6.7882 7.4690 7.5069 8.6343 8.6583 8.9583 8.9900 9.0412 9.1161 9.3144 9.4114 9.7357 9.7601 10.2929 10.3701 10.3816 10.4432 10.7852 10.8159 11.2040 11.2366 11.6395 11.6686 16.2119 16.2601 k = 0.5000 0.0684 0.5157 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2128 -36.0146 -36.0130 -36.0127 -36.0123 1.6220 1.6309 6.0165 6.0968 6.7345 6.8111 7.5130 7.5532 8.6379 8.6616 8.9545 8.9859 9.0361 9.1095 9.3481 9.4461 9.7509 9.7716 10.2953 10.3750 10.3889 10.4456 10.7775 10.8079 11.2325 11.2673 11.6649 11.6939 16.1446 16.1937 k = 0.5000 0.0760 0.5049 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2128 -36.0146 -36.0130 -36.0126 -36.0122 1.6064 1.6152 5.9548 6.0274 6.7673 6.8379 7.5528 7.5948 8.6440 8.6671 8.9506 8.9817 9.0306 9.1025 9.3845 9.4829 9.7683 9.7849 10.2996 10.3795 10.3984 10.4489 10.7711 10.8011 11.2635 11.3003 11.6941 11.7232 16.0732 16.1224 k = 0.5000 0.0836 0.4942 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2128 -36.0145 -36.0131 -36.0126 -36.0122 1.5898 1.5984 5.8928 5.9589 6.8025 6.8683 7.5877 7.6311 8.6524 8.6746 8.9464 8.9773 9.0246 9.0951 9.4233 9.5213 9.7875 9.8002 10.3059 10.3835 10.4094 10.4526 10.7647 10.7944 11.2962 11.3348 11.7272 11.7567 15.9994 16.0484 k = 0.5000 0.0912 0.4835 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2138 -37.2128 -36.0145 -36.0131 -36.0125 -36.0121 1.5723 1.5807 5.8312 5.8915 6.8392 6.9012 7.6170 7.6615 8.6633 8.6847 8.9426 8.9735 9.0182 9.0873 9.4643 9.5611 9.8084 9.8172 10.3136 10.3884 10.4221 10.4567 10.7600 10.7894 11.3310 11.3715 11.7610 11.7912 15.9243 15.9729 k = 0.5000 0.0988 0.4727 ( 4198 PWs) bands (ev): -67.4153 -67.4153 -37.2138 -37.2128 -36.0145 -36.0131 -36.0124 -36.0121 1.5540 1.5622 5.7703 5.8257 6.8777 6.9365 7.6418 7.6869 8.6759 8.6966 8.9385 8.9695 9.0115 9.0792 9.5068 9.6019 9.8317 9.8371 10.3234 10.3939 10.4354 10.4626 10.7548 10.7838 11.3691 11.4109 11.7996 11.8308 15.8485 15.8965 k = 0.5000 0.1064 0.4620 ( 4198 PWs) bands (ev): -67.4153 -67.4153 -37.2138 -37.2128 -36.0145 -36.0132 -36.0124 -36.0121 1.5351 1.5431 5.7105 5.7615 6.9174 6.9736 7.6609 7.7061 8.6899 8.7099 8.9343 8.9656 9.0040 9.0706 9.5509 9.6434 9.8554 9.8591 10.3334 10.3992 10.4493 10.4674 10.7519 10.7806 11.4081 11.4514 11.8411 11.8737 15.7726 15.8201 k = 0.5000 0.1140 0.4512 ( 4200 PWs) bands (ev): -67.4155 -67.4155 -37.2138 -37.2128 -36.0145 -36.0132 -36.0123 -36.0120 1.5158 1.5236 5.6522 5.6992 6.9580 7.0120 7.6752 7.7203 8.7043 8.7239 8.9299 8.9617 8.9961 9.0616 9.5955 9.6847 9.8798 9.8840 10.3445 10.4050 10.4635 10.4732 10.7491 10.7775 11.4495 11.4940 11.8852 11.9194 15.6968 15.7438 k = 0.5000 0.1215 0.4405 ( 4208 PWs) bands (ev): -67.4164 -67.4164 -37.2137 -37.2128 -36.0145 -36.0132 -36.0123 -36.0120 1.4962 1.5037 5.5954 5.6388 6.9989 7.0510 7.6852 7.7298 8.7189 8.7381 8.9251 8.9575 8.9878 9.0522 9.6396 9.7249 9.9052 9.9106 10.3541 10.4108 10.4758 10.4792 10.7469 10.7750 11.4922 11.5377 11.9302 11.9662 15.6213 15.6678 k = 0.5000 0.1291 0.4297 ( 4210 PWs) bands (ev): -67.4166 -67.4166 -37.2137 -37.2128 -36.0145 -36.0133 -36.0122 -36.0120 1.4765 1.4837 5.5404 5.5806 7.0405 7.0909 7.6916 7.7353 8.7341 8.7528 8.9207 8.9537 8.9796 9.0430 9.6842 9.7645 9.9322 9.9383 10.3665 10.4184 10.4860 10.4915 10.7463 10.7741 11.5392 11.5857 11.9807 12.0188 15.5486 15.5946 k = 0.5000 0.1367 0.4190 ( 4200 PWs) bands (ev): -67.4154 -67.4154 -37.2136 -37.2127 -36.0144 -36.0133 -36.0121 -36.0119 1.4568 1.4637 5.4875 5.5246 7.0829 7.1318 7.6954 7.7380 8.7498 8.7676 8.9168 8.9507 8.9721 9.0344 9.7296 9.8040 9.9616 9.9678 10.3834 10.4289 10.4972 10.5099 10.7473 10.7752 11.5931 11.6403 12.0384 12.0786 15.4793 15.5247 k = 0.5000 0.1443 0.4082 ( 4204 PWs) bands (ev): -67.4158 -67.4158 -37.2136 -37.2127 -36.0144 -36.0133 -36.0120 -36.0118 1.4371 1.4437 5.4366 5.4709 7.1241 7.1716 7.6962 7.7375 8.7638 8.7806 8.9121 8.9463 8.9647 9.0251 9.7717 9.8398 9.9904 9.9967 10.3970 10.4386 10.5080 10.5240 10.7475 10.7753 11.6471 11.6949 12.0941 12.1363 15.4099 15.4549 k = 0.5000 0.1519 0.3975 ( 4202 PWs) bands (ev): -67.4156 -67.4156 -37.2136 -37.2127 -36.0144 -36.0133 -36.0120 -36.0118 1.4177 1.4241 5.3880 5.4196 7.1650 7.2110 7.6957 7.7354 8.7775 8.7929 8.9076 8.9413 8.9586 9.0162 9.8127 9.8741 10.0199 10.0267 10.4131 10.4501 10.5211 10.5396 10.7486 10.7765 11.7071 11.7553 12.1542 12.1982 15.3434 15.3880 k = 0.5000 0.1595 0.3868 ( 4210 PWs) bands (ev): -67.4165 -67.4165 -37.2135 -37.2127 -36.0144 -36.0134 -36.0119 -36.0118 1.3987 1.4047 5.3415 5.3707 7.2043 7.2488 7.6926 7.7306 8.7896 8.8033 8.9028 8.9347 8.9535 9.0071 9.8507 9.9055 10.0457 10.0537 10.4277 10.4613 10.5341 10.5523 10.7510 10.7789 11.7682 11.8169 12.2132 12.2589 15.2785 15.3228 k = 0.5000 0.1671 0.3760 ( 4212 PWs) bands (ev): -67.4167 -67.4167 -37.2135 -37.2127 -36.0143 -36.0134 -36.0119 -36.0117 1.3802 1.3859 5.2975 5.3244 7.2429 7.2860 7.6891 7.7251 8.8004 8.8123 8.8982 8.9277 8.9501 8.9985 9.8875 9.9357 10.0711 10.0805 10.4463 10.4748 10.5499 10.5681 10.7510 10.7793 11.8358 11.8845 12.2776 12.3245 15.2167 15.2606 k = 0.5000 0.1747 0.3653 ( 4210 PWs) bands (ev): -67.4165 -67.4165 -37.2135 -37.2127 -36.0143 -36.0134 -36.0118 -36.0117 1.3623 1.3676 5.2559 5.2806 7.2804 7.3218 7.6851 7.7190 8.8109 8.8210 8.8940 8.9204 8.9482 8.9906 9.9228 9.9649 10.0938 10.1043 10.4662 10.4903 10.5678 10.5823 10.7535 10.7819 11.9078 11.9564 12.3443 12.3921 15.1580 15.2017 k = 0.5000 0.1823 0.3545 ( 4210 PWs) bands (ev): -67.4165 -67.4164 -37.2134 -37.2127 -36.0143 -36.0135 -36.0117 -36.0116 1.3450 1.3501 5.2168 5.2394 7.3162 7.3557 7.6810 7.7125 8.8200 8.8285 8.8897 8.9129 8.9464 8.9827 9.9562 9.9928 10.1141 10.1253 10.4856 10.5054 10.5847 10.5958 10.7562 10.7847 11.9833 12.0314 12.4125 12.4605 15.1019 15.1454 k = 0.5000 0.1899 0.3438 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2134 -37.2127 -36.0143 -36.0135 -36.0116 -36.0116 1.3286 1.3333 5.1803 5.2010 7.3497 7.3872 7.6771 7.7061 8.8278 8.8352 8.8861 8.9062 8.9456 8.9758 9.9872 10.0191 10.1324 10.1439 10.5066 10.5232 10.6025 10.6120 10.7598 10.7884 12.0646 12.1116 12.4813 12.5285 15.0483 15.0915 k = 0.5000 0.1975 0.3330 ( 4208 PWs) bands (ev): -67.4162 -67.4162 -37.2133 -37.2127 -36.0142 -36.0135 -36.0116 -36.0115 1.3131 1.3175 5.1463 5.1651 7.3811 7.4164 7.6727 7.6990 8.8339 8.8412 8.8820 8.8993 8.9445 8.9690 10.0166 10.0442 10.1461 10.1574 10.5254 10.5407 10.6184 10.6245 10.7634 10.7915 12.1479 12.1936 12.5497 12.5961 14.9971 15.0401 k = 0.5000 0.2051 0.3223 ( 4200 PWs) bands (ev): -67.4153 -67.4153 -37.2133 -37.2127 -36.0142 -36.0135 -36.0115 -36.0115 1.2986 1.3026 5.1150 5.1320 7.4105 7.4431 7.6701 7.6934 8.8392 8.8473 8.8787 8.8935 8.9444 8.9637 10.0447 10.0685 10.1602 10.1708 10.5443 10.5625 10.6332 10.6401 10.7694 10.7964 12.2357 12.2794 12.6195 12.6638 14.9484 14.9911 k = 0.5000 0.2127 0.3116 ( 4204 PWs) bands (ev): -67.4157 -67.4157 -37.2132 -37.2127 -36.0142 -36.0135 -36.0115 -36.0114 1.2851 1.2887 5.0864 5.1016 7.4365 7.4663 7.6671 7.6873 8.8428 8.8520 8.8748 8.8875 8.9434 8.9582 10.0699 10.0904 10.1694 10.1791 10.5592 10.5810 10.6432 10.6531 10.7738 10.7993 12.3239 12.3651 12.6863 12.7281 14.9010 14.9433 k = 0.5000 0.2203 0.3008 ( 4212 PWs) bands (ev): -67.4167 -67.4167 -37.2132 -37.2127 -36.0142 -36.0136 -36.0115 -36.0114 1.2726 1.2759 5.0604 5.0740 7.4593 7.4859 7.6651 7.6821 8.8453 8.8553 8.8713 8.8820 8.9423 8.9534 10.0918 10.1096 10.1769 10.1855 10.5721 10.5971 10.6516 10.6634 10.7770 10.8007 12.4133 12.4510 12.7513 12.7894 14.8542 14.8959 k = 0.5000 0.2279 0.2901 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2132 -37.2127 -36.0141 -36.0136 -36.0114 -36.0114 1.2614 1.2644 5.0373 5.0492 7.4799 7.5031 7.6653 7.6789 8.8484 8.8590 8.8688 8.8777 8.9419 8.9501 10.1138 10.1290 10.1853 10.1929 10.5865 10.6129 10.6617 10.6740 10.7855 10.8069 12.5040 12.5370 12.8161 12.8494 14.8093 14.8500 k = 0.5000 0.2355 0.2793 ( 4202 PWs) bands (ev): -67.4155 -67.4155 -37.2131 -37.2127 -36.0141 -36.0136 -36.0113 -36.0113 1.2514 1.2540 5.0168 5.0272 7.4974 7.5170 7.6665 7.6768 8.8508 8.8605 8.8674 8.8739 8.9412 8.9476 10.1337 10.1466 10.1918 10.1983 10.6001 10.6272 10.6712 10.6835 10.7922 10.8112 12.5921 12.6197 12.8784 12.9061 14.7643 14.8036 k = 0.5000 0.2431 0.2686 ( 4198 PWs) bands (ev): -67.4150 -67.4150 -37.2131 -37.2127 -36.0140 -36.0136 -36.0113 -36.0113 1.2427 1.2449 4.9992 5.0080 7.5122 7.5281 7.6684 7.6754 8.8525 8.8605 8.8670 8.8710 8.9405 8.9461 10.1529 10.1638 10.1950 10.2002 10.6137 10.6391 10.6815 10.6915 10.7987 10.8153 12.6747 12.6974 12.9370 12.9596 14.7198 14.7568 k = 0.5000 0.2507 0.2578 ( 4200 PWs) bands (ev): -67.4153 -67.4153 -37.2130 -37.2127 -36.0140 -36.0137 -36.0113 -36.0113 1.2352 1.2370 4.9843 4.9916 7.5231 7.5356 7.6712 7.6756 8.8535 8.8590 8.8668 8.8683 8.9394 8.9444 10.1673 10.1763 10.1993 10.2034 10.6236 10.6469 10.6884 10.6962 10.8025 10.8166 12.7495 12.7658 12.9934 13.0095 14.6753 14.7090 k = 0.5000 0.2583 0.2471 ( 4188 PWs) bands (ev): -67.4139 -67.4139 -37.2130 -37.2127 -36.0139 -36.0137 -36.0112 -36.0112 1.2292 1.2306 4.9723 4.9781 7.5320 7.5415 7.6752 7.6776 8.8552 8.8582 8.8668 8.8680 8.9398 8.9442 10.1798 10.1869 10.2062 10.2091 10.6359 10.6555 10.6980 10.7027 10.8100 10.8215 12.8150 12.8242 13.0476 13.0566 14.6342 14.6634 k = 0.5000 0.2659 0.2364 ( 4190 PWs) bands (ev): -67.4141 -67.4141 -37.2129 -37.2128 -36.0139 -36.0137 -36.0112 -36.0112 1.2244 1.2255 4.9630 4.9674 7.5380 7.5447 7.6778 7.6789 8.8554 8.8567 8.8656 8.8677 8.9394 8.9430 10.1886 10.1938 10.2095 10.2111 10.6430 10.6585 10.7020 10.7050 10.8144 10.8231 12.8648 12.8693 13.0941 13.0982 14.5975 14.6209 k = 0.5000 0.2735 0.2256 ( 4184 PWs) bands (ev): -67.4134 -67.4134 -37.2129 -37.2128 -36.0138 -36.0137 -36.0112 -36.0112 1.2212 1.2219 4.9567 4.9596 7.5423 7.5466 7.6801 7.6805 8.8558 8.8563 8.8658 8.8677 8.9402 8.9427 10.1950 10.1983 10.2127 10.2133 10.6517 10.6625 10.7078 10.7097 10.8204 10.8262 12.9003 12.9020 13.1316 13.1329 14.5697 14.5861 k = 0.5000 0.2811 0.2149 ( 4176 PWs) bands (ev): -67.4125 -67.4125 -37.2128 -37.2128 -36.0138 -36.0137 -36.0111 -36.0111 1.2193 1.2196 4.9532 4.9546 7.5456 7.5477 7.6821 7.6821 8.8562 8.8563 8.8664 8.8675 8.9411 8.9424 10.2000 10.2015 10.2161 10.2163 10.6594 10.6648 10.7125 10.7131 10.8247 10.8277 12.9215 12.9219 13.1563 13.1565 14.5529 14.5614 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -67.4111 -67.4111 -37.2128 -37.2128 -36.0137 -36.0137 -36.0111 -36.0111 1.2187 1.2187 4.9525 4.9525 7.5481 7.5481 7.6836 7.6836 8.8567 8.8567 8.8675 8.8675 8.9423 8.9423 10.2038 10.2038 10.2196 10.2196 10.6660 10.6660 10.7161 10.7161 10.8287 10.8287 12.9290 12.9290 13.1653 13.1653 14.5499 14.5499 k = 0.5000 0.2887 0.2041 ( 4164 PWs) bands (ev): -67.4111 -67.4111 -37.2128 -37.2128 -36.0137 -36.0137 -36.0111 -36.0111 1.2187 1.2187 4.9525 4.9525 7.5481 7.5481 7.6836 7.6836 8.8567 8.8567 8.8675 8.8675 8.9423 8.9423 10.2038 10.2038 10.2196 10.2196 10.6660 10.6660 10.7161 10.7161 10.8287 10.8287 12.9290 12.9290 13.1653 13.1653 14.5499 14.5499 k = 0.4962 0.2865 0.2165 ( 4174 PWs) bands (ev): -67.4123 -67.4123 -37.2128 -37.2128 -36.0138 -36.0137 -36.0111 -36.0111 1.2192 1.2196 4.9532 4.9546 7.5457 7.5478 7.6823 7.6823 8.8562 8.8563 8.8665 8.8676 8.9412 8.9425 10.2003 10.2018 10.2167 10.2167 10.6601 10.6654 10.7132 10.7136 10.8250 10.8280 12.9216 12.9220 13.1565 13.1565 14.5529 14.5613 k = 0.4924 0.2843 0.2289 ( 4188 PWs) bands (ev): -67.4139 -67.4139 -37.2129 -37.2128 -36.0139 -36.0137 -36.0112 -36.0112 1.2211 1.2219 4.9567 4.9595 7.5422 7.5464 7.6800 7.6801 8.8556 8.8560 8.8656 8.8676 8.9399 8.9424 10.1951 10.1983 10.2119 10.2120 10.6502 10.6607 10.7067 10.7075 10.8198 10.8256 12.9006 12.9017 13.1322 13.1324 14.5694 14.5858 k = 0.4886 0.2821 0.2412 ( 4190 PWs) bands (ev): -67.4141 -67.4141 -37.2129 -37.2128 -36.0139 -36.0137 -36.0112 -36.0112 1.2244 1.2255 4.9630 4.9673 7.5380 7.5447 7.6780 7.6784 8.8555 8.8568 8.8656 8.8678 8.9395 8.9431 10.1893 10.1942 10.2090 10.2092 10.6433 10.6588 10.7035 10.7045 10.8146 10.8232 12.8660 12.8687 13.0961 13.0970 14.5972 14.6205 k = 0.4848 0.2799 0.2536 ( 4193 PWs) bands (ev): -67.4145 -67.4145 -37.2130 -37.2128 -36.0140 -36.0137 -36.0112 -36.0112 1.2291 1.2305 4.9721 4.9779 7.5321 7.5413 7.6755 7.6766 8.8549 8.8581 8.8665 8.8677 8.9395 8.9438 10.1805 10.1871 10.2060 10.2060 10.6346 10.6541 10.6989 10.6992 10.8087 10.8198 12.8171 12.8221 13.0519 13.0540 14.6327 14.6615 k = 0.4811 0.2777 0.2660 ( 4199 PWs) bands (ev): -67.4151 -67.4151 -37.2130 -37.2127 -36.0140 -36.0137 -36.0113 -36.0113 1.2351 1.2369 4.9841 4.9914 7.5234 7.5353 7.6725 7.6745 8.8533 8.8595 8.8669 8.8682 8.9399 8.9443 10.1671 10.1753 10.2018 10.2024 10.6240 10.6481 10.6929 10.6936 10.8029 10.8160 12.7535 12.7616 13.0024 13.0062 14.6725 14.7052 k = 0.4773 0.2756 0.2784 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2131 -37.2127 -36.0140 -36.0137 -36.0113 -36.0113 1.2425 1.2447 4.9989 5.0077 7.5121 7.5269 7.6698 7.6727 8.8515 8.8607 8.8663 8.8702 8.9407 8.9448 10.1516 10.1616 10.1960 10.1971 10.6114 10.6396 10.6853 10.6863 10.7974 10.8119 12.6785 12.6901 12.9497 12.9553 14.7126 14.7473 k = 0.4735 0.2734 0.2907 ( 4206 PWs) bands (ev): -67.4160 -67.4160 -37.2131 -37.2127 -36.0141 -36.0136 -36.0114 -36.0113 1.2512 1.2538 5.0164 5.0268 7.4986 7.5162 7.6690 7.6731 8.8501 8.8612 8.8675 8.8731 8.9426 8.9460 10.1345 10.1468 10.1928 10.1945 10.5951 10.6285 10.6752 10.6785 10.7938 10.8086 12.5964 12.6115 12.8962 12.9037 14.7499 14.7847 k = 0.4697 0.2712 0.3031 ( 4200 PWs) bands (ev): -67.4153 -67.4153 -37.2131 -37.2127 -36.0141 -36.0136 -36.0114 -36.0114 1.2612 1.2642 5.0368 5.0487 7.4816 7.5019 7.6703 7.6754 8.8482 8.8601 8.8701 8.8770 8.9456 8.9473 10.1137 10.1283 10.1911 10.1935 10.5823 10.6186 10.6679 10.6715 10.7903 10.8053 12.5089 12.5273 12.8417 12.8509 14.7825 14.8157 k = 0.4659 0.2690 0.3155 ( 4202 PWs) bands (ev): -67.4155 -67.4155 -37.2132 -37.2127 -36.0141 -36.0136 -36.0114 -36.0114 1.2724 1.2757 5.0599 5.0734 7.4610 7.4837 7.6722 7.6782 8.8455 8.8567 8.8739 8.8807 8.9483 8.9489 10.0897 10.1074 10.1864 10.1894 10.5642 10.6045 10.6573 10.6626 10.7862 10.8003 12.4181 12.4397 12.7843 12.7950 14.8087 14.8387 k = 0.4621 0.2668 0.3278 ( 4202 PWs) bands (ev): -67.4155 -67.4155 -37.2132 -37.2127 -36.0142 -36.0135 -36.0115 -36.0114 1.2848 1.2884 5.0856 5.1009 7.4374 7.4623 7.6757 7.6824 8.8425 8.8524 8.8785 8.8848 8.9495 8.9530 10.0640 10.0853 10.1809 10.1846 10.5444 10.5883 10.6458 10.6531 10.7827 10.7953 12.3278 12.3524 12.7251 12.7371 14.8283 14.8542 k = 0.4583 0.2646 0.3402 ( 4196 PWs) bands (ev): -67.4148 -67.4148 -37.2133 -37.2127 -36.0142 -36.0135 -36.0115 -36.0115 1.2982 1.3022 5.1141 5.1311 7.4106 7.4375 7.6814 7.6887 8.8392 8.8473 8.8839 8.8895 8.9510 8.9580 10.0358 10.0613 10.1772 10.1815 10.5245 10.5715 10.6347 10.6440 10.7808 10.7912 12.2397 12.2670 12.6654 12.6786 14.8416 14.8627 k = 0.4545 0.2624 0.3526 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2133 -37.2127 -36.0142 -36.0135 -36.0115 -36.0115 1.3127 1.3170 5.1452 5.1641 7.3801 7.4088 7.6884 7.6960 8.8348 8.8407 8.8898 8.8943 8.9524 8.9635 10.0039 10.0341 10.1727 10.1776 10.5010 10.5515 10.6221 10.6340 10.7793 10.7868 12.1530 12.1829 12.6041 12.6186 14.8484 14.8645 k = 0.4508 0.2602 0.3649 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2133 -37.2127 -36.0142 -36.0134 -36.0116 -36.0115 1.3281 1.3328 5.1790 5.1997 7.3464 7.3767 7.6962 7.7042 8.8294 8.8331 8.8961 8.8992 8.9540 8.9694 9.9696 10.0052 10.1667 10.1723 10.4746 10.5289 10.6087 10.6235 10.7780 10.7823 12.0699 12.1023 12.5413 12.5568 14.8497 14.8611 k = 0.4470 0.2581 0.3773 ( 4194 PWs) bands (ev): -67.4146 -67.4146 -37.2134 -37.2127 -36.0142 -36.0134 -36.0117 -36.0116 1.3444 1.3494 5.2152 5.2380 7.3100 7.3418 7.7051 7.7134 8.8232 8.8244 8.9026 8.9038 8.9555 8.9756 9.9335 9.9751 10.1604 10.1667 10.4461 10.5039 10.5950 10.6127 10.7771 10.7779 11.9921 12.0267 12.4777 12.4943 14.8465 14.8534 k = 0.4432 0.2559 0.3897 ( 4198 PWs) bands (ev): -67.4151 -67.4151 -37.2134 -37.2127 -36.0143 -36.0134 -36.0117 -36.0116 1.3614 1.3668 5.2540 5.2789 7.2699 7.3033 7.7150 7.7235 8.8143 8.8156 8.9086 8.9096 8.9572 8.9822 9.8939 9.9421 10.1537 10.1606 10.4148 10.4765 10.5808 10.6015 10.7731 10.7756 11.9170 11.9537 12.4135 12.4311 14.8387 14.8416 k = 0.4394 0.2537 0.4021 ( 4202 PWs) bands (ev): -67.4156 -67.4156 -37.2135 -37.2127 -36.0143 -36.0134 -36.0118 -36.0117 1.3791 1.3848 5.2952 5.3224 7.2271 7.2620 7.7257 7.7343 8.8027 8.8064 8.9134 8.9170 8.9593 8.9892 9.8526 9.9077 10.1459 10.1536 10.3841 10.4492 10.5671 10.5907 10.7684 10.7745 11.8470 11.8858 12.3488 12.3675 14.8272 14.8277 k = 0.4356 0.2515 0.4144 ( 4200 PWs) bands (ev): -67.4154 -67.4154 -37.2135 -37.2127 -36.0144 -36.0133 -36.0119 -36.0117 1.3974 1.4034 5.3388 5.3685 7.1823 7.2187 7.7376 7.7465 8.7905 8.7963 8.9186 8.9251 8.9621 8.9968 9.8113 9.8735 10.1386 10.1470 10.3546 10.4227 10.5527 10.5789 10.7651 10.7748 11.7845 11.8253 12.2846 12.3043 14.8124 14.8158 k = 0.4318 0.2493 0.4268 ( 4205 PWs) bands (ev): -67.4160 -67.4159 -37.2136 -37.2127 -36.0144 -36.0133 -36.0119 -36.0118 1.4161 1.4224 5.3846 5.4170 7.1348 7.1730 7.7497 7.7587 8.7762 8.7839 8.9230 8.9329 8.9646 9.0039 9.7690 9.8385 10.1292 10.1384 10.3248 10.3953 10.5362 10.5650 10.7605 10.7740 11.7269 11.7696 12.2191 12.2398 14.7950 14.8010 k = 0.4280 0.2471 0.4392 ( 4207 PWs) bands (ev): -67.4162 -67.4162 -37.2136 -37.2127 -36.0144 -36.0133 -36.0120 -36.0118 1.4352 1.4418 5.4326 5.4679 7.0845 7.1245 7.7626 7.7718 8.7607 8.7698 8.9274 8.9410 8.9676 9.0114 9.7256 9.8023 10.1210 10.1308 10.2963 10.3690 10.5228 10.5542 10.7568 10.7738 11.6734 11.7180 12.1555 12.1772 14.7763 14.7843 k = 0.4242 0.2449 0.4515 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2136 -37.2127 -36.0144 -36.0133 -36.0121 -36.0119 1.4545 1.4613 5.4828 5.5213 7.0323 7.0744 7.7764 7.7858 8.7448 8.7550 8.9321 8.9496 8.9712 9.0193 9.6830 9.7669 10.1127 10.1233 10.2702 10.3444 10.5095 10.5435 10.7554 10.7758 11.6274 11.6735 12.0928 12.1156 14.7581 14.7679 k = 0.4205 0.2427 0.4639 ( 4203 PWs) bands (ev): -67.4158 -67.4158 -37.2137 -37.2128 -36.0145 -36.0132 -36.0122 -36.0119 1.4738 1.4809 5.5347 5.5769 6.9781 7.0226 7.7903 7.7997 8.7268 8.7376 8.9367 8.9581 8.9751 9.0272 9.6414 9.7319 10.1023 10.1135 10.2458 10.3209 10.4969 10.5334 10.7528 10.7766 11.5847 11.6326 12.0298 12.0537 14.7393 14.7505 k = 0.4167 0.2406 0.4763 ( 4207 PWs) bands (ev): -67.4163 -67.4163 -37.2137 -37.2128 -36.0145 -36.0132 -36.0122 -36.0120 1.4929 1.5002 5.5882 5.6345 6.9220 6.9695 7.8049 7.8146 8.7072 8.7184 8.9405 8.9662 8.9789 9.0346 9.6008 9.6975 10.0928 10.1046 10.2214 10.2970 10.4838 10.5227 10.7480 10.7747 11.5457 11.5949 11.9685 11.9934 14.7184 14.7307 k = 0.4129 0.2384 0.4887 ( 4195 PWs) bands (ev): -67.4149 -67.4149 -37.2137 -37.2128 -36.0145 -36.0132 -36.0123 -36.0120 1.5117 1.5193 5.6432 5.6942 6.8654 6.9164 7.8211 7.8309 8.6878 8.6989 8.9448 8.9748 8.9837 9.0425 9.5628 9.6652 10.0858 10.0981 10.2009 10.2760 10.4749 10.5160 10.7478 10.7773 11.5149 11.5654 11.9117 11.9378 14.7004 14.7136 k = 0.4091 0.2362 0.5010 ( 4196 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2128 -36.0145 -36.0131 -36.0123 -36.0120 1.5300 1.5378 5.6991 5.7555 6.8074 6.8626 7.8364 7.8464 8.6667 8.6776 8.9485 8.9824 8.9876 9.0494 9.5266 9.6339 10.0751 10.0878 10.1812 10.2553 10.4630 10.5064 10.7451 10.7771 11.4859 11.5374 11.8529 11.8800 14.6804 14.6943 k = 0.4053 0.2340 0.5134 ( 4199 PWs) bands (ev): -67.4154 -67.4154 -37.2138 -37.2128 -36.0145 -36.0131 -36.0124 -36.0121 1.5477 1.5556 5.7554 5.8183 6.7489 6.8093 7.8525 7.8625 8.6449 8.6553 8.9515 8.9894 8.9914 9.0557 9.4923 9.6036 10.0651 10.0781 10.1622 10.2347 10.4526 10.4981 10.7417 10.7756 11.4586 11.5109 11.7966 11.8248 14.6591 14.6735 k = 0.4015 0.2318 0.5258 ( 4195 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2128 -36.0145 -36.0131 -36.0124 -36.0121 1.5644 1.5725 5.8115 5.8821 6.6906 6.7576 7.8693 7.8794 8.6234 8.6333 8.9551 8.9953 8.9962 9.0622 9.4613 9.5755 10.0568 10.0699 10.1468 10.2171 10.4436 10.4910 10.7399 10.7757 11.4356 11.4887 11.7442 11.7735 14.6391 14.6539 k = 0.3977 0.2296 0.5381 ( 4197 PWs) bands (ev): -67.4152 -67.4152 -37.2138 -37.2128 -36.0146 -36.0131 -36.0125 -36.0121 1.5801 1.5883 5.8662 5.9462 6.6337 6.7090 7.8857 7.8960 8.6017 8.6109 8.9584 8.9985 9.0020 9.0680 9.4327 9.5486 10.0459 10.0591 10.1329 10.2004 10.4342 10.4833 10.7368 10.7738 11.4161 11.4695 11.6916 11.7218 14.6186 14.6337 k = 0.3939 0.2274 0.5505 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.5944 1.6028 5.9180 6.0094 6.5797 6.6653 7.9027 7.9130 8.5806 8.5892 8.9611 9.0015 9.0070 9.0728 9.4066 9.5232 10.0343 10.0474 10.1199 10.1841 10.4261 10.4767 10.7339 10.7717 11.3990 11.4524 11.6413 11.6725 14.5978 14.6131 k = 0.3902 0.2253 0.5629 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.6072 1.6156 5.9648 6.0695 6.5312 6.6290 7.9199 7.9303 8.5603 8.5684 8.9637 9.0039 9.0110 9.0771 9.3831 9.4993 10.0236 10.0363 10.1092 10.1696 10.4190 10.4709 10.7318 10.7700 11.3872 11.4402 11.5947 11.6268 14.5769 14.5923 k = 0.3864 0.2231 0.5753 ( 4200 PWs) bands (ev): -67.4156 -67.4156 -37.2139 -37.2129 -36.0146 -36.0131 -36.0126 -36.0122 1.6183 1.6267 6.0035 6.1219 6.4928 6.6034 7.9373 7.9477 8.5416 8.5493 8.9663 9.0058 9.0140 9.0809 9.3620 9.4765 10.0121 10.0245 10.1002 10.1566 10.4131 10.4660 10.7302 10.7683 11.3775 11.4298 11.5513 11.5840 14.5567 14.5723 k = 0.3826 0.2209 0.5876 ( 4209 PWs) bands (ev): -67.4167 -67.4167 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6273 1.6357 6.0307 6.1583 6.4730 6.5919 7.9545 7.9649 8.5227 8.5301 8.9679 9.0067 9.0155 9.0831 9.3427 9.4545 9.9988 10.0107 10.0914 10.1435 10.4069 10.4605 10.7274 10.7651 11.3696 11.4207 11.5093 11.5424 14.5318 14.5473 k = 0.3788 0.2187 0.6000 ( 4207 PWs) bands (ev): -67.4165 -67.4165 -37.2139 -37.2129 -36.0146 -36.0132 -36.0126 -36.0123 1.6342 1.6425 6.0441 6.1696 6.4820 6.5980 7.9721 7.9825 8.5076 8.5148 8.9701 9.0073 9.0164 9.0855 9.3258 9.4340 9.9851 9.9966 10.0854 10.1332 10.4035 10.4574 10.7285 10.7653 11.3682 11.4172 11.4728 11.5054 14.5114 14.5270 k = 0.3750 0.2165 0.6124 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.6250-0.0722 0.4082 ( 4213 PWs) bands (ev): -67.4172 -67.4172 -37.2139 -37.2130 -36.0147 -36.0133 -36.0126 -36.0123 1.6386 1.6468 6.0432 6.1554 6.5196 6.6215 7.9892 7.9996 8.4943 8.5014 8.9718 9.0067 9.0157 9.0867 9.3100 9.4135 9.9695 9.9805 10.0799 10.1234 10.3990 10.4529 10.7290 10.7644 11.3666 11.4106 11.4405 11.4699 14.4903 14.5058 k = 0.6184-0.0836 0.4082 ( 4201 PWs) bands (ev): -67.4158 -67.4158 -37.2139 -37.2130 -36.0146 -36.0133 -36.0126 -36.0123 1.6432 1.6512 6.0270 6.1145 6.6076 6.6838 8.0208 8.0312 8.4743 8.4814 8.9753 9.0063 9.0144 9.0891 9.2848 9.3796 9.9426 9.9530 10.0731 10.1094 10.4011 10.4541 10.7367 10.7697 11.3715 11.3797 11.4216 11.4252 14.4543 14.4697 k = 0.6118-0.0950 0.4082 ( 4202 PWs) bands (ev): -67.4160 -67.4160 -37.2139 -37.2130 -36.0146 -36.0134 -36.0125 -36.0123 1.6461 1.6539 6.0052 6.0745 6.7004 6.7573 8.0531 8.0633 8.4542 8.4612 8.9778 9.0058 9.0122 9.0901 9.2583 9.3434 9.9096 9.9199 10.0647 10.0941 10.4024 10.4541 10.7429 10.7732 11.3310 11.3591 11.3855 11.4225 14.4150 14.4302 k = 0.6053-0.1064 0.4082 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2139 -37.2130 -36.0146 -36.0134 -36.0125 -36.0123 1.6477 1.6552 5.9805 6.0362 6.7971 6.8395 8.0866 8.0967 8.4361 8.4429 8.9807 9.0060 9.0098 9.0913 9.2322 9.3068 9.8736 9.8840 10.0570 10.0799 10.4069 10.4571 10.7525 10.7798 11.2857 11.3192 11.3845 11.4239 14.3782 14.3932 k = 0.5987-0.1177 0.4082 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2130 -36.0146 -36.0135 -36.0125 -36.0123 1.6481 1.6553 5.9539 5.9994 6.8972 6.9282 8.1205 8.1306 8.4171 8.4238 8.9828 9.0056 9.0058 9.0909 9.2064 9.2690 9.8349 9.8457 10.0485 10.0650 10.4114 10.4600 10.7598 10.7842 11.2426 11.2765 11.3870 11.4237 14.3362 14.3508 k = 0.5921-0.1291 0.4082 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2130 -36.0146 -36.0135 -36.0124 -36.0123 1.6476 1.6544 5.9270 5.9645 6.9996 7.0217 8.1551 8.1650 8.4004 8.4069 8.9848 9.0007 9.0054 9.0899 9.1810 9.2299 9.7937 9.8050 10.0395 10.0501 10.4161 10.4630 10.7690 10.7905 11.2019 11.2356 11.3872 11.4210 14.2953 14.3096 k = 0.5855-0.1405 0.4082 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2131 -36.0145 -36.0136 -36.0124 -36.0123 1.6463 1.6526 5.9005 5.9317 7.1040 7.1189 8.1903 8.1999 8.3835 8.3898 8.9868 8.9938 9.0050 9.0879 9.1573 9.1908 9.7510 9.7627 10.0298 10.0352 10.4220 10.4670 10.7810 10.7998 11.1647 11.1978 11.3869 11.4179 14.2500 14.2637 k = 0.5789-0.1519 0.4082 ( 4194 PWs) bands (ev): -67.4150 -67.4150 -37.2138 -37.2131 -36.0145 -36.0136 -36.0124 -36.0123 1.6443 1.6502 5.8750 5.9011 7.2095 7.2184 8.2258 8.2351 8.3675 8.3736 8.9847 8.9886 9.0044 9.0847 9.1354 9.1513 9.7071 9.7192 10.0192 10.0201 10.4296 10.4725 10.7960 10.8123 11.1312 11.1636 11.3837 11.4121 14.2016 14.2147 k = 0.5724-0.1633 0.4082 ( 4186 PWs) bands (ev): -67.4141 -67.4141 -37.2138 -37.2131 -36.0145 -36.0137 -36.0123 -36.0122 1.6419 1.6475 5.8508 5.8727 7.3160 7.3200 8.2614 8.2701 8.3532 8.3593 8.9722 8.9903 9.0033 9.0799 9.1129 9.1183 9.6627 9.6751 10.0057 10.0088 10.4404 10.4810 10.8133 10.8273 11.1017 11.1331 11.3830 11.4087 14.1553 14.1677 k = 0.5658-0.1747 0.4082 ( 4192 PWs) bands (ev): -67.4148 -67.4148 -37.2137 -37.2131 -36.0145 -36.0137 -36.0123 -36.0122 1.6393 1.6444 5.8279 5.8464 7.4221 7.4223 8.2965 8.3037 8.3398 8.3469 8.9537 8.9892 9.0010 9.0721 9.0747 9.1058 9.6175 9.6303 9.9909 9.9977 10.4463 10.4846 10.8253 10.8369 11.0726 11.1028 11.3764 11.3992 14.1075 14.1191 k = 0.5592-0.1861 0.4082 ( 4190 PWs) bands (ev): -67.4146 -67.4146 -37.2137 -37.2132 -36.0145 -36.0138 -36.0123 -36.0122 1.6365 1.6411 5.8070 5.8225 7.5248 7.5283 8.3249 8.3260 8.3325 8.3473 8.9309 8.9787 9.0001 9.0458 9.0642 9.0978 9.5729 9.5858 9.9772 9.9868 10.4540 10.4897 10.8413 10.8507 11.0470 11.0758 11.3720 11.3921 14.0621 14.0728 k = 0.5526-0.1975 0.4082 ( 4184 PWs) bands (ev): -67.4139 -67.4139 -37.2137 -37.2132 -36.0144 -36.0138 -36.0123 -36.0122 1.6338 1.6379 5.7880 5.8010 7.6271 7.6335 8.3161 8.3183 8.3648 8.3754 8.9038 8.9512 9.0017 9.0318 9.0575 9.0920 9.5292 9.5421 9.9644 9.9759 10.4625 10.4953 10.8599 10.8675 11.0247 11.0517 11.3669 11.3845 14.0196 14.0291 k = 0.5461-0.2089 0.4082 ( 4194 PWs) bands (ev): -67.4151 -67.4151 -37.2137 -37.2132 -36.0144 -36.0139 -36.0123 -36.0122 1.6311 1.6347 5.7711 5.7819 7.7272 7.7359 8.3057 8.3084 8.3957 8.4049 8.8708 8.9104 9.0037 9.0268 9.0518 9.0860 9.4870 9.4997 9.9518 9.9647 10.4639 10.4935 10.8725 10.8782 11.0025 11.0274 11.3577 11.3726 13.9751 13.9836 k = 0.5395-0.2203 0.4082 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2136 -37.2133 -36.0144 -36.0139 -36.0123 -36.0122 1.6286 1.6317 5.7565 5.7653 7.8249 7.8352 8.2982 8.3008 8.4238 8.4319 8.8349 8.8653 9.0065 9.0262 9.0476 9.0803 9.4473 9.4596 9.9405 9.9539 10.4738 10.5001 10.8863 10.8902 10.9862 11.0089 11.3517 11.3641 13.9354 13.9428 k = 0.5329-0.2317 0.4082 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2136 -37.2133 -36.0144 -36.0140 -36.0122 -36.0122 1.6264 1.6290 5.7440 5.7511 7.9193 7.9307 8.2917 8.2942 8.4470 8.4538 8.7977 8.8195 9.0099 9.0275 9.0444 9.0749 9.4108 9.4224 9.9310 9.9439 10.4808 10.5033 10.9009 10.9033 10.9721 10.9922 11.3433 11.3534 13.9001 13.9063 k = 0.5263-0.2431 0.4082 ( 4200 PWs) bands (ev): -67.4158 -67.4158 -37.2136 -37.2133 -36.0143 -36.0140 -36.0123 -36.0123 1.6245 1.6266 5.7338 5.7393 8.0080 8.0197 8.2872 8.2898 8.4625 8.4674 8.7604 8.7748 9.0138 9.0297 9.0417 9.0692 9.3786 9.3891 9.9231 9.9346 10.4816 10.5000 10.9134 10.9144 10.9606 10.9776 11.3324 11.3404 13.8667 13.8717 k = 0.5197-0.2545 0.4082 ( 4192 PWs) bands (ev): -67.4149 -67.4149 -37.2135 -37.2133 -36.0143 -36.0141 -36.0122 -36.0122 1.6231 1.6247 5.7259 5.7300 8.0916 8.1025 8.2864 8.2893 8.4673 8.4698 8.7281 8.7370 9.0182 9.0331 9.0394 9.0639 9.3521 9.3608 9.9174 9.9268 10.4915 10.5056 10.9258 10.9260 10.9533 10.9673 11.3274 11.3332 13.8464 13.8501 k = 0.5132-0.2659 0.4082 ( 4188 PWs) bands (ev): -67.4145 -67.4145 -37.2135 -37.2134 -36.0142 -36.0141 -36.0122 -36.0122 1.6222 1.6233 5.7205 5.7232 8.1628 8.1710 8.2920 8.2960 8.4568 8.4572 8.7034 8.7084 9.0226 9.0370 9.0371 9.0583 9.3323 9.3387 9.9139 9.9206 10.4969 10.5065 10.9325 10.9331 10.9500 10.9598 11.3234 11.3272 13.8327 13.8352 k = 0.5066-0.2773 0.4082 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2135 -37.2134 -36.0142 -36.0141 -36.0122 -36.0122 1.6218 1.6223 5.7175 5.7188 8.2099 8.2135 8.3112 8.3165 8.4303 8.4330 8.6895 8.6917 9.0270 9.0342 9.0419 9.0527 9.3207 9.3241 9.9126 9.9160 10.5011 10.5059 10.9358 10.9358 10.9512 10.9558 11.3213 11.3232 13.8264 13.8276 k = 0.5000-0.2887 0.4082 ( 4184 PWs) bands (ev): -67.4140 -67.4140 -37.2134 -37.2134 -36.0142 -36.0142 -36.0122 -36.0122 1.6218 1.6218 5.7169 5.7169 8.2243 8.2243 8.3327 8.3327 8.4125 8.4125 8.6858 8.6858 9.0309 9.0309 9.0472 9.0472 9.3179 9.3179 9.9132 9.9132 10.5040 10.5040 10.9361 10.9361 10.9535 10.9535 11.3207 11.3207 13.8233 13.8233 Writing output data file MnNiSb.save init_run : 0.87s CPU 0.50s WALL ( 1 calls) electrons : 238.72s CPU 137.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 238.72s CPU 137.86s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.28s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.38s WALL ( 356 calls) cegterg : 211.16s CPU 121.50s WALL ( 371 calls) Called by sum_band: Called by *egterg: h_psi : 148.62s CPU 82.64s WALL ( 5834 calls) s_psi : 5.36s CPU 3.06s WALL ( 5834 calls) g_psi : 0.28s CPU 0.17s WALL ( 5107 calls) cdiaghg : 58.16s CPU 35.85s WALL ( 5463 calls) cegterg:over : 8.34s CPU 4.56s WALL ( 5107 calls) cegterg:upda : 6.10s CPU 3.63s WALL ( 5107 calls) cegterg:last : 3.38s CPU 1.94s WALL ( 1083 calls) cdiaghg:chol : 3.20s CPU 2.00s WALL ( 5463 calls) cdiaghg:inve : 1.42s CPU 0.97s WALL ( 5463 calls) cdiaghg:para : 3.04s CPU 1.94s WALL ( 10926 calls) Called by h_psi: h_psi:vloc : 132.49s CPU 73.65s WALL ( 5834 calls) h_psi:vnl : 15.86s CPU 8.84s WALL ( 5834 calls) add_vuspsi : 9.46s CPU 5.18s WALL ( 5834 calls) General routines calbec : 6.34s CPU 3.63s WALL ( 5834 calls) fft : 0.05s CPU 0.03s WALL ( 15 calls) fftw : 125.29s CPU 69.61s WALL ( 545192 calls) davcio : 0.48s CPU 0.64s WALL ( 712 calls) Parallel routines fft_scatter : 53.82s CPU 30.26s WALL ( 545207 calls) PWSCF : 4m12.96s CPU 2m43.80s WALL This run was terminated on: 4:16:39 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=