Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:47 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: ./HfCoSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 39 11 991 991 154 Max 40 40 12 996 996 156 Sum 1417 1417 421 35749 35749 5577 bravais-lattice index = 14 lattice parameter (alat) = 8.0709 a.u. unit-cell volume = 371.7469 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.070878 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Sb 5.00 121.76000 Sb( 1.00) Co 17.00 58.93320 Co( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028571 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028571 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028571 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028571 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028571 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028571 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028571 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028571 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028571 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028571 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028571 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028571 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028571 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028571 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028571 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028571 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028571 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028571 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028571 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028571 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028571 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028571 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028571 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028571 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028571 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028571 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028571 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028571 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028571 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028571 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028571 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028571 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028571 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028571 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028571 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028571 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028571 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028571 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028571 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028571 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028571 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028571 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028571 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028571 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028571 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028571 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028571 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028571 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028571 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028571 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028571 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028571 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028571 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028571 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028571 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028571 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028571 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028571 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028571 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028571 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028571 k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028571 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028571 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028571 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028571 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028571 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028571 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028571 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028571 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028571 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028571 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028571 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028571 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028571 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028571 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028571 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028571 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028571 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028571 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028571 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028571 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028571 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028571 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028571 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028571 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028571 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028571 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028571 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028571 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028571 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028571 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028571 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028571 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028571 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028571 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028571 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028571 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028571 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028571 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028571 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028571 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028571 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028571 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028571 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028571 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028571 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028571 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028571 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028571 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028571 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028571 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028571 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028571 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028571 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028571 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028571 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028571 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028571 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028571 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028571 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028571 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028571 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028571 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028571 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028571 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028571 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028571 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028571 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028571 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028571 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028571 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028571 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028571 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028571 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028571 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028571 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028571 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028571 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028571 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028571 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028571 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028571 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028571 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028571 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028571 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028571 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028571 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028571 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028571 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028571 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028571 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028571 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028571 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028571 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028571 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028571 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028571 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028571 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028571 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028571 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028571 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028571 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028571 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028571 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028571 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028571 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028571 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028571 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028571 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028571 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028571 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028571 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028571 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028571 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028571 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028571 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028571 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028571 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 208) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028571 k( 209) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028571 k( 210) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028571 k( 211) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028571 k( 212) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028571 k( 213) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028571 k( 214) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028571 k( 215) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028571 k( 216) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028571 k( 217) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028571 k( 218) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028571 k( 219) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028571 k( 220) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028571 k( 221) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028571 k( 222) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028571 k( 223) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028571 k( 224) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028571 k( 225) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028571 k( 226) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028571 k( 227) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028571 k( 228) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028571 k( 229) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028571 k( 230) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028571 k( 231) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028571 k( 232) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028571 k( 233) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028571 k( 234) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028571 k( 235) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028571 k( 236) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028571 k( 237) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028571 k( 238) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028571 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 241) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028571 k( 242) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028571 k( 243) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028571 k( 244) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028571 k( 245) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028571 k( 246) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028571 k( 247) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028571 k( 248) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028571 k( 249) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028571 k( 250) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028571 k( 251) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028571 k( 252) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028571 k( 253) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028571 k( 254) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028571 k( 255) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028571 k( 256) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028571 k( 257) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028571 k( 258) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028571 k( 259) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 260) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028571 k( 261) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028571 k( 262) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028571 k( 263) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028571 k( 264) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028571 k( 265) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028571 k( 266) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028571 k( 267) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028571 k( 268) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028571 k( 269) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028571 k( 270) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028571 k( 271) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028571 k( 272) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028571 k( 273) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028571 k( 274) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028571 k( 275) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028571 k( 276) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028571 k( 277) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028571 k( 278) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028571 k( 279) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028571 k( 280) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028571 k( 281) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028571 k( 282) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028571 k( 283) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028571 k( 284) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028571 k( 285) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028571 k( 286) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028571 k( 287) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028571 k( 288) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028571 k( 289) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028571 k( 290) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028571 k( 291) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028571 k( 292) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028571 k( 293) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028571 k( 294) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028571 k( 295) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028571 k( 296) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028571 k( 297) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 299) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028571 k( 300) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028571 k( 301) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028571 k( 302) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028571 k( 303) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028571 k( 304) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028571 k( 305) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028571 k( 306) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028571 k( 307) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028571 k( 308) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028571 k( 309) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028571 k( 310) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028571 k( 311) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028571 k( 312) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028571 k( 313) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028571 k( 314) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028571 k( 315) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028571 k( 316) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028571 k( 317) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028571 k( 318) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028571 k( 319) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028571 k( 320) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028571 k( 321) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028571 k( 322) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028571 k( 323) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028571 k( 324) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028571 k( 325) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028571 k( 326) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028571 k( 327) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028571 k( 328) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028571 k( 329) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028571 k( 330) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 332) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028571 k( 333) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028571 k( 334) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028571 k( 335) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028571 k( 336) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028571 k( 337) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028571 k( 338) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028571 k( 339) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028571 k( 340) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028571 k( 341) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028571 k( 342) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028571 k( 343) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028571 k( 344) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028571 k( 345) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028571 k( 346) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028571 k( 347) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028571 k( 348) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028571 k( 349) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028571 k( 350) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0566038 0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0028571 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.2735849 0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.3679245 0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.4622641 0.0000000 0.4622642), wk = 0.0028571 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028571 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028571 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028571 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028571 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028571 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028571 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028571 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028571 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028571 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028571 k( 66) = ( 0.5000000 0.1018518 0.6018519), wk = 0.0028571 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028571 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028571 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028571 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028571 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028571 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028571 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028571 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028571 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028571 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028571 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028571 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028571 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028571 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028571 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028571 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028571 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028571 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028571 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028571 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028571 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028571 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028571 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028571 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028571 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028571 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028571 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028571 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028571 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028571 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028571 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028571 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028571 k( 101) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028571 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028571 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028571 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028571 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028571 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028571 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028571 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028571 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028571 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028571 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028571 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028571 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028571 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028571 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028571 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028571 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028571 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028571 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028571 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028571 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028571 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028571 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028571 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028571 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028571 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028571 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028571 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028571 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028571 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028571 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028571 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028571 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028571 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028571 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028571 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028571 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028571 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028571 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028571 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028571 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028571 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028571 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028571 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028571 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028571 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028571 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028571 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028571 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028571 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028571 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028571 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028571 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028571 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028571 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028571 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028571 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028571 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028571 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028571 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028571 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028571 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028571 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028571 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028571 k( 170) = ( 0.1086957 0.1086956 0.1086957), wk = 0.0028571 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028571 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028571 k( 173) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028571 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028571 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028571 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028571 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028571 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028571 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028571 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028571 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028571 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028571 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028571 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028571 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028571 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028571 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028571 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028571 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028571 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028571 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028571 k( 193) = ( 0.3586956 0.3586956 0.3586957), wk = 0.0028571 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028571 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028571 k( 196) = ( 0.3913044 0.3913043 0.3913044), wk = 0.0028571 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028571 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028571 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028571 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028571 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028571 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028571 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028571 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028571 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028571 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028571 k( 209) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028571 k( 210) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028571 k( 211) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028571 k( 212) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028571 k( 213) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028571 k( 214) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028571 k( 215) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028571 k( 216) = ( 0.5351562 0.4296875 0.5351563), wk = 0.0028571 k( 217) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028571 k( 218) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028571 k( 219) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028571 k( 220) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028571 k( 221) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028571 k( 222) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028571 k( 223) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028571 k( 224) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028571 k( 225) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028571 k( 226) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028571 k( 227) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028571 k( 228) = ( 0.5820312 0.3359375 0.5820313), wk = 0.0028571 k( 229) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028571 k( 230) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028571 k( 231) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028571 k( 232) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028571 k( 233) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028571 k( 234) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028571 k( 235) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028571 k( 236) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028571 k( 237) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028571 k( 238) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028571 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 241) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028571 k( 242) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028571 k( 243) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028571 k( 244) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028571 k( 245) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028571 k( 246) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028571 k( 247) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028571 k( 248) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028571 k( 249) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028571 k( 250) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028571 k( 251) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028571 k( 252) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028571 k( 253) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028571 k( 254) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028571 k( 255) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028571 k( 256) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028571 k( 257) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028571 k( 258) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028571 k( 259) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 261) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028571 k( 262) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028571 k( 263) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028571 k( 264) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028571 k( 265) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028571 k( 266) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028571 k( 267) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028571 k( 268) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028571 k( 269) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028571 k( 270) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028571 k( 271) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028571 k( 272) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028571 k( 273) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028571 k( 274) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028571 k( 275) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028571 k( 276) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028571 k( 277) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028571 k( 278) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028571 k( 279) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028571 k( 280) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028571 k( 281) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028571 k( 282) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028571 k( 283) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028571 k( 284) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028571 k( 285) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028571 k( 286) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028571 k( 287) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028571 k( 288) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028571 k( 289) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028571 k( 290) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028571 k( 291) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028571 k( 292) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028571 k( 293) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028571 k( 294) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028571 k( 295) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028571 k( 296) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0028571 k( 300) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028571 k( 301) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028571 k( 302) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028571 k( 303) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0028571 k( 304) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028571 k( 305) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028571 k( 306) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028571 k( 307) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0028571 k( 308) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028571 k( 309) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028571 k( 310) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028571 k( 311) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028571 k( 312) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028571 k( 313) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028571 k( 314) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028571 k( 315) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0028571 k( 316) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028571 k( 317) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028571 k( 318) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028571 k( 319) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0028571 k( 320) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028571 k( 321) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028571 k( 322) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028571 k( 323) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028571 k( 324) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028571 k( 325) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028571 k( 326) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028571 k( 327) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028571 k( 328) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028571 k( 329) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028571 k( 330) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 332) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028571 k( 333) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028571 k( 334) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028571 k( 335) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028571 k( 336) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028571 k( 337) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028571 k( 338) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028571 k( 339) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028571 k( 340) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028571 k( 341) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028571 k( 342) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028571 k( 343) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028571 k( 344) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028571 k( 345) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028571 k( 346) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028571 k( 347) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028571 k( 348) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028571 k( 349) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 35749 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 248, 42) NL pseudopotentials 0.19 Mb ( 124, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 992) G-vector shells 0.00 Mb ( 308) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 248, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./HfCoSb.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.4 secs Computing kpt #: 21 total cpu time spent up to now is 11.9 secs Computing kpt #: 22 total cpu time spent up to now is 12.3 secs Computing kpt #: 23 total cpu time spent up to now is 12.8 secs Computing kpt #: 24 total cpu time spent up to now is 13.2 secs Computing kpt #: 25 total cpu time spent up to now is 13.7 secs Computing kpt #: 26 total cpu time spent up to now is 14.1 secs Computing kpt #: 27 total cpu time spent up to now is 14.5 secs Computing kpt #: 28 total cpu time spent up to now is 14.9 secs Computing kpt #: 29 total cpu time spent up to now is 15.4 secs Computing kpt #: 30 total cpu time spent up to now is 15.8 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 total cpu time spent up to now is 16.7 secs Computing kpt #: 33 total cpu time spent up to now is 17.2 secs Computing kpt #: 34 total cpu time spent up to now is 17.7 secs Computing kpt #: 35 total cpu time spent up to now is 18.1 secs Computing kpt #: 36 total cpu time spent up to now is 18.7 secs Computing kpt #: 37 total cpu time spent up to now is 19.2 secs Computing kpt #: 38 total cpu time spent up to now is 19.7 secs Computing kpt #: 39 total cpu time spent up to now is 20.2 secs Computing kpt #: 40 total cpu time spent up to now is 20.6 secs Computing kpt #: 41 total cpu time spent up to now is 21.1 secs Computing kpt #: 42 total cpu time spent up to now is 21.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.1 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.1 secs Computing kpt #: 46 total cpu time spent up to now is 23.7 secs Computing kpt #: 47 total cpu time spent up to now is 24.1 secs Computing kpt #: 48 total cpu time spent up to now is 24.6 secs Computing kpt #: 49 total cpu time spent up to now is 25.1 secs Computing kpt #: 50 total cpu time spent up to now is 25.5 secs Computing kpt #: 51 total cpu time spent up to now is 25.9 secs Computing kpt #: 52 total cpu time spent up to now is 26.4 secs Computing kpt #: 53 total cpu time spent up to now is 26.8 secs Computing kpt #: 54 total cpu time spent up to now is 27.2 secs Computing kpt #: 55 total cpu time spent up to now is 27.7 secs Computing kpt #: 56 total cpu time spent up to now is 28.1 secs Computing kpt #: 57 total cpu time spent up to now is 28.5 secs Computing kpt #: 58 total cpu time spent up to now is 29.0 secs Computing kpt #: 59 total cpu time spent up to now is 29.5 secs Computing kpt #: 60 total cpu time spent up to now is 29.9 secs Computing kpt #: 61 total cpu time spent up to now is 30.4 secs Computing kpt #: 62 total cpu time spent up to now is 30.9 secs Computing kpt #: 63 total cpu time spent up to now is 31.3 secs Computing kpt #: 64 total cpu time spent up to now is 31.8 secs Computing kpt #: 65 total cpu time spent up to now is 32.3 secs Computing kpt #: 66 total cpu time spent up to now is 32.7 secs Computing kpt #: 67 total cpu time spent up to now is 33.2 secs Computing kpt #: 68 total cpu time spent up to now is 33.7 secs Computing kpt #: 69 total cpu time spent up to now is 34.1 secs Computing kpt #: 70 total cpu time spent up to now is 34.6 secs Computing kpt #: 71 total cpu time spent up to now is 35.0 secs Computing kpt #: 72 total cpu time spent up to now is 35.5 secs Computing kpt #: 73 total cpu time spent up to now is 36.0 secs Computing kpt #: 74 total cpu time spent up to now is 36.4 secs Computing kpt #: 75 total cpu time spent up to now is 36.9 secs Computing kpt #: 76 total cpu time spent up to now is 37.3 secs Computing kpt #: 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44.8 secs Computing kpt #: 93 total cpu time spent up to now is 45.3 secs Computing kpt #: 94 total cpu time spent up to now is 45.8 secs Computing kpt #: 95 total cpu time spent up to now is 46.2 secs Computing kpt #: 96 total cpu time spent up to now is 46.7 secs Computing kpt #: 97 total cpu time spent up to now is 47.2 secs Computing kpt #: 98 total cpu time spent up to now is 47.7 secs Computing kpt #: 99 total cpu time spent up to now is 48.2 secs Computing kpt #: 100 total cpu time spent up to now is 48.7 secs Computing kpt #: 101 total cpu time spent up to now is 49.2 secs Computing kpt #: 102 total cpu time spent up to now is 49.7 secs Computing kpt #: 103 total cpu time spent up to now is 50.2 secs Computing kpt #: 104 total cpu time spent up to now is 50.7 secs Computing kpt #: 105 total cpu time spent up to now is 51.1 secs Computing kpt #: 106 total cpu time spent up to now is 51.7 secs Computing kpt #: 107 total cpu time spent up to now is 52.1 secs Computing kpt #: 108 total cpu time spent up to now is 52.6 secs Computing kpt #: 109 total cpu time spent up to now is 53.1 secs Computing kpt #: 110 total cpu time spent up to now is 53.5 secs Computing kpt #: 111 total cpu time spent up to now is 54.0 secs Computing kpt #: 112 total cpu time spent up to now is 54.4 secs Computing kpt #: 113 total cpu time spent up to now is 54.9 secs Computing kpt #: 114 total cpu time spent up to now is 55.3 secs Computing kpt #: 115 total cpu time spent up to now is 55.7 secs Computing kpt #: 116 total cpu time spent up to now is 56.1 secs Computing kpt #: 117 total cpu time spent up to now is 56.5 secs Computing kpt #: 118 total cpu time spent up to now is 56.9 secs Computing kpt #: 119 total cpu time spent up to now is 57.3 secs Computing kpt #: 120 total cpu time spent up to now is 57.7 secs Computing kpt #: 121 total cpu time spent up to now is 58.1 secs Computing kpt #: 122 total cpu time spent up to now is 58.5 secs Computing kpt #: 123 total cpu time spent up to now is 58.9 secs Computing kpt #: 124 total cpu time spent up to now is 59.3 secs Computing kpt #: 125 total cpu time spent up to now is 59.7 secs Computing kpt #: 126 total cpu time spent up to now is 60.1 secs Computing kpt #: 127 total cpu time spent up to now is 60.5 secs Computing kpt #: 128 total cpu time spent up to now is 60.9 secs Computing kpt #: 129 total cpu time spent up to now is 61.3 secs Computing kpt #: 130 total cpu time spent up to now is 61.8 secs Computing kpt #: 131 total cpu time spent up to now is 62.3 secs Computing kpt #: 132 total cpu time spent up to now is 62.7 secs Computing kpt #: 133 total cpu time spent up to now is 63.1 secs Computing kpt #: 134 total cpu time spent up to now is 63.6 secs Computing kpt #: 135 total cpu time spent up to now is 64.1 secs Computing kpt #: 136 total cpu time spent up to now is 64.5 secs Computing kpt #: 137 total cpu time spent up to now is 65.0 secs Computing kpt #: 138 total cpu time spent up to now is 65.4 secs Computing kpt #: 139 total cpu time spent up to now is 65.9 secs Computing kpt #: 140 total cpu time spent up to now is 66.3 secs Computing kpt #: 141 total cpu time spent up to now is 66.8 secs Computing kpt #: 142 total cpu time spent up to now is 67.3 secs Computing kpt #: 143 total cpu time spent up to now is 67.7 secs Computing kpt #: 144 total cpu time spent up to now is 68.2 secs Computing kpt #: 145 total cpu time spent up to now is 68.7 secs Computing kpt #: 146 total cpu time spent up to now is 69.1 secs Computing kpt #: 147 total cpu time spent up to now is 69.5 secs Computing kpt #: 148 total cpu time spent up to now is 70.0 secs Computing kpt #: 149 total cpu time spent up to now is 70.5 secs Computing kpt #: 150 total cpu time spent up to now is 70.9 secs Computing kpt #: 151 total cpu time spent up to now is 71.3 secs Computing kpt #: 152 total cpu time spent up to now is 71.7 secs Computing kpt #: 153 total cpu time spent up to now is 72.1 secs Computing kpt #: 154 total cpu time spent up to now is 72.5 secs Computing kpt #: 155 total cpu time spent up to now is 73.0 secs Computing kpt #: 156 total cpu time spent up to now is 73.4 secs Computing kpt #: 157 total cpu time spent up to now is 73.8 secs Computing kpt #: 158 total cpu time spent up to now is 74.3 secs Computing kpt #: 159 total cpu time spent up to now is 74.6 secs Computing kpt #: 160 total cpu time spent up to now is 75.1 secs Computing kpt #: 161 total cpu time spent up to now is 75.6 secs Computing kpt #: 162 total cpu time spent up to now is 76.0 secs Computing kpt #: 163 total cpu time spent up to now is 76.4 secs Computing kpt #: 164 total cpu time spent up to now is 76.9 secs Computing kpt #: 165 total cpu time spent up to now is 77.3 secs Computing kpt #: 166 total cpu time spent up to now is 77.8 secs Computing kpt #: 167 total cpu time spent up to now is 78.2 secs Computing kpt #: 168 total cpu time spent up to now is 78.7 secs Computing kpt #: 169 total cpu time spent up to now is 79.1 secs Computing kpt #: 170 total cpu time spent up to now is 79.5 secs Computing kpt #: 171 total cpu time spent up to now is 79.9 secs Computing kpt #: 172 total cpu time spent up to now is 80.4 secs Computing kpt #: 173 total cpu time spent up to now is 80.8 secs Computing kpt #: 174 total cpu time spent up to now is 81.2 secs Computing kpt #: 175 total cpu time spent up to now is 81.7 secs Computing kpt #: 176 total cpu time spent up to now is 82.1 secs Computing kpt #: 177 total cpu time spent up to now is 82.5 secs Computing kpt #: 178 total cpu time spent up to now is 82.9 secs Computing kpt #: 179 total cpu time spent up to now is 83.4 secs Computing kpt #: 180 total cpu time spent up to now is 83.9 secs Computing kpt #: 181 total cpu time spent up to now is 84.3 secs Computing kpt #: 182 total cpu time spent up to now is 84.7 secs Computing kpt #: 183 total cpu time spent up to now is 85.1 secs Computing kpt #: 184 total cpu time spent up to now is 85.5 secs Computing kpt #: 185 total cpu time spent up to now is 85.9 secs Computing kpt #: 186 total cpu time spent up to now is 86.3 secs Computing kpt #: 187 total cpu time spent up to now is 86.7 secs Computing kpt #: 188 total cpu time spent up to now is 87.1 secs Computing kpt #: 189 total cpu time spent up to now is 87.5 secs Computing kpt #: 190 total cpu time spent up to now is 87.9 secs Computing kpt #: 191 total cpu time spent up to now is 88.3 secs Computing kpt #: 192 total cpu time spent up to now is 88.8 secs Computing kpt #: 193 total cpu time spent up to now is 89.3 secs Computing kpt #: 194 total cpu time spent up to now is 89.7 secs Computing kpt #: 195 total cpu time spent up to now is 90.2 secs Computing kpt #: 196 total cpu time spent up to now is 90.8 secs Computing kpt #: 197 total cpu time spent up to now is 91.5 secs Computing kpt #: 198 total cpu time spent up to now is 92.1 secs Computing kpt #: 199 total cpu time spent up to now is 92.5 secs Computing kpt #: 200 total cpu time spent up to now is 93.0 secs Computing kpt #: 201 total cpu time spent up to now is 93.4 secs Computing kpt #: 202 total cpu time spent up to now is 93.9 secs Computing kpt #: 203 total cpu time spent up to now is 94.3 secs Computing kpt #: 204 total cpu time spent up to now is 94.8 secs Computing kpt #: 205 total cpu time spent up to now is 95.3 secs Computing kpt #: 206 total cpu time spent up to now is 95.7 secs Computing kpt #: 207 total cpu time spent up to now is 96.2 secs Computing kpt #: 208 total cpu time spent up to now is 96.7 secs Computing kpt #: 209 total cpu time spent up to now is 97.2 secs Computing kpt #: 210 total cpu time spent up to now is 97.7 secs Computing kpt #: 211 total cpu time spent up to now is 98.1 secs Computing kpt #: 212 total cpu time spent up to now is 98.6 secs Computing kpt #: 213 total cpu time spent up to now is 99.1 secs Computing kpt #: 214 total cpu time spent up to now is 99.5 secs Computing kpt #: 215 total cpu time spent up to now is 99.9 secs Computing kpt #: 216 total cpu time spent up to now is 100.4 secs Computing kpt #: 217 total cpu time spent up to now is 100.9 secs Computing kpt #: 218 total cpu time spent up to now is 101.4 secs Computing kpt #: 219 total cpu time spent up to now is 101.9 secs Computing kpt #: 220 total cpu time spent up to now is 102.3 secs Computing kpt #: 221 total cpu time spent up to now is 102.7 secs Computing kpt #: 222 total cpu time spent up to now is 103.2 secs Computing kpt #: 223 total cpu time spent up to now is 103.7 secs Computing kpt #: 224 total cpu time spent up to now is 104.2 secs Computing kpt #: 225 total cpu time spent up to now is 104.7 secs Computing kpt #: 226 total cpu time spent up to now is 105.1 secs Computing kpt #: 227 total cpu time spent up to now is 105.6 secs Computing kpt #: 228 total cpu time spent up to now is 106.1 secs Computing kpt #: 229 total cpu time spent up to now is 106.6 secs Computing kpt #: 230 total cpu time spent up to now is 107.0 secs Computing kpt #: 231 total cpu time spent up to now is 107.5 secs Computing kpt #: 232 total cpu time spent up to now is 108.0 secs Computing kpt #: 233 total cpu time spent up to now is 108.5 secs Computing kpt #: 234 total cpu time spent up to now is 109.0 secs Computing kpt #: 235 total cpu time spent up to now is 109.5 secs Computing kpt #: 236 total cpu time spent up to now is 110.0 secs Computing kpt #: 237 total cpu time spent up to now is 110.5 secs Computing kpt #: 238 total cpu time spent up to now is 111.0 secs Computing kpt #: 239 total cpu time spent up to now is 111.5 secs Computing kpt #: 240 total cpu time spent up to now is 112.0 secs Computing kpt #: 241 total cpu time spent up to now is 112.6 secs Computing kpt #: 242 total cpu time spent up to now is 113.1 secs Computing kpt #: 243 total cpu time spent up to now is 113.6 secs Computing kpt #: 244 total cpu time spent up to now is 114.1 secs Computing kpt #: 245 total cpu time spent up to now is 114.5 secs Computing kpt #: 246 total cpu time spent up to now is 115.0 secs Computing kpt #: 247 total cpu time spent up to now is 115.5 secs Computing kpt #: 248 total cpu time spent up to now is 116.0 secs Computing kpt #: 249 total cpu time spent up to now is 116.5 secs Computing kpt #: 250 total cpu time spent up to now is 117.0 secs Computing kpt #: 251 total cpu time spent up to now is 117.5 secs Computing kpt #: 252 total cpu time spent up to now is 118.0 secs Computing kpt #: 253 total cpu time spent up to now is 118.4 secs Computing kpt #: 254 total cpu time spent up to now is 118.9 secs Computing kpt #: 255 total cpu time spent up to now is 119.3 secs Computing kpt #: 256 total cpu time spent up to now is 119.8 secs Computing kpt #: 257 total cpu time spent up to now is 120.2 secs Computing kpt #: 258 total cpu time spent up to now is 120.7 secs Computing kpt #: 259 total cpu time spent up to now is 121.1 secs Computing kpt #: 260 total cpu time spent up to now is 121.5 secs Computing kpt #: 261 total cpu time spent up to now is 122.0 secs Computing kpt #: 262 total cpu time spent up to now is 122.5 secs Computing kpt #: 263 total cpu time spent up to now is 122.9 secs Computing kpt #: 264 total cpu time spent up to now is 123.3 secs Computing kpt #: 265 total cpu time spent up to now is 123.8 secs Computing kpt #: 266 total cpu time spent up to now is 124.2 secs Computing kpt #: 267 total cpu time spent up to now is 124.7 secs Computing kpt #: 268 total cpu time spent up to now is 125.1 secs Computing kpt #: 269 total cpu time spent up to now is 125.6 secs Computing kpt #: 270 total cpu time spent up to now is 126.1 secs Computing kpt #: 271 total cpu time spent up to now is 126.6 secs Computing kpt #: 272 total cpu time spent up to now is 127.1 secs Computing kpt #: 273 total cpu time spent up to now is 127.5 secs Computing kpt #: 274 total cpu time spent up to now is 128.0 secs Computing kpt #: 275 total cpu time spent up to now is 128.5 secs Computing kpt #: 276 total cpu time spent up to now is 129.0 secs Computing kpt #: 277 total cpu time spent up to now is 129.5 secs Computing kpt #: 278 total cpu time spent up to now is 129.9 secs Computing kpt #: 279 total cpu time spent up to now is 130.4 secs Computing kpt #: 280 total cpu time spent up to now is 130.9 secs Computing kpt #: 281 total cpu time spent up to now is 131.4 secs Computing kpt #: 282 total cpu time spent up to now is 131.8 secs Computing kpt #: 283 total cpu time spent up to now is 132.3 secs Computing kpt #: 284 total cpu time spent up to now is 132.8 secs Computing kpt #: 285 total cpu time spent up to now is 133.2 secs Computing kpt #: 286 total cpu time spent up to now is 133.7 secs Computing kpt #: 287 total cpu time spent up to now is 134.1 secs Computing kpt #: 288 total cpu time spent up to now is 134.6 secs Computing kpt #: 289 total cpu time spent up to now is 135.1 secs Computing kpt #: 290 total cpu time spent up to now is 135.6 secs Computing kpt #: 291 total cpu time spent up to now is 136.0 secs Computing kpt #: 292 total cpu time spent up to now is 136.5 secs Computing kpt #: 293 total cpu time spent up to now is 136.9 secs Computing kpt #: 294 total cpu time spent up to now is 137.4 secs Computing kpt #: 295 total cpu time spent up to now is 137.8 secs Computing kpt #: 296 total cpu time spent up to now is 138.3 secs Computing kpt #: 297 total cpu time spent up to now is 138.7 secs Computing kpt #: 298 total cpu time spent up to now is 139.2 secs Computing kpt #: 299 total cpu time spent up to now is 139.7 secs Computing kpt #: 300 total cpu time spent up to now is 140.1 secs Computing kpt #: 301 total cpu time spent up to now is 140.6 secs Computing kpt #: 302 total cpu time spent up to now is 141.1 secs Computing kpt #: 303 total cpu time spent up to now is 141.5 secs Computing kpt #: 304 total cpu time spent up to now is 142.0 secs Computing kpt #: 305 total cpu time spent up to now is 142.4 secs Computing kpt #: 306 total cpu time spent up to now is 142.9 secs Computing kpt #: 307 total cpu time spent up to now is 143.4 secs Computing kpt #: 308 total cpu time spent up to now is 143.8 secs Computing kpt #: 309 total cpu time spent up to now is 144.3 secs Computing kpt #: 310 total cpu time spent up to now is 144.7 secs Computing kpt #: 311 total cpu time spent up to now is 145.2 secs Computing kpt #: 312 total cpu time spent up to now is 145.7 secs Computing kpt #: 313 total cpu time spent up to now is 146.1 secs Computing kpt #: 314 total cpu time spent up to now is 146.6 secs Computing kpt #: 315 total cpu time spent up to now is 147.1 secs Computing kpt #: 316 total cpu time spent up to now is 147.5 secs Computing kpt #: 317 total cpu time spent up to now is 148.0 secs Computing kpt #: 318 total cpu time spent up to now is 148.5 secs Computing kpt #: 319 total cpu time spent up to now is 149.0 secs Computing kpt #: 320 total cpu time spent up to now is 149.5 secs Computing kpt #: 321 total cpu time spent up to now is 150.0 secs Computing kpt #: 322 total cpu time spent up to now is 150.5 secs Computing kpt #: 323 total cpu time spent up to now is 151.0 secs Computing kpt #: 324 total cpu time spent up to now is 151.5 secs Computing kpt #: 325 total cpu time spent up to now is 152.0 secs Computing kpt #: 326 total cpu time spent up to now is 152.4 secs Computing kpt #: 327 total cpu time spent up to now is 153.0 secs Computing kpt #: 328 total cpu time spent up to now is 153.5 secs Computing kpt #: 329 total cpu time spent up to now is 154.0 secs Computing kpt #: 330 total cpu time spent up to now is 154.5 secs Computing kpt #: 331 total cpu time spent up to now is 155.0 secs Computing kpt #: 332 total cpu time spent up to now is 155.5 secs Computing kpt #: 333 total cpu time spent up to now is 156.0 secs Computing kpt #: 334 total cpu time spent up to now is 156.5 secs Computing kpt #: 335 total cpu time spent up to now is 157.0 secs Computing kpt #: 336 total cpu time spent up to now is 157.5 secs Computing kpt #: 337 total cpu time spent up to now is 158.0 secs Computing kpt #: 338 total cpu time spent up to now is 158.5 secs Computing kpt #: 339 total cpu time spent up to now is 159.0 secs Computing kpt #: 340 total cpu time spent up to now is 159.5 secs Computing kpt #: 341 total cpu time spent up to now is 159.9 secs Computing kpt #: 342 total cpu time spent up to now is 160.4 secs Computing kpt #: 343 total cpu time spent up to now is 160.9 secs Computing kpt #: 344 total cpu time spent up to now is 161.4 secs Computing kpt #: 345 total cpu time spent up to now is 161.9 secs Computing kpt #: 346 total cpu time spent up to now is 162.4 secs Computing kpt #: 347 total cpu time spent up to now is 162.9 secs Computing kpt #: 348 total cpu time spent up to now is 163.3 secs Computing kpt #: 349 total cpu time spent up to now is 163.7 secs Computing kpt #: 350 total cpu time spent up to now is 164.2 secs ethr = 2.94E-08, avg # of iterations = 16.5 total cpu time spent up to now is 164.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -77.4515 -77.4515 -48.4571 -48.4571 -43.1510 -43.1510 -41.4200 -41.4200 -41.4200 -41.4200 -22.8444 -22.8444 -15.1779 -15.1779 -15.1779 -15.1779 1.6702 1.6702 9.2996 9.2996 9.6396 9.6396 9.6396 9.6396 11.6211 11.6211 11.6211 11.6211 14.2452 14.2452 14.2452 14.2452 14.2842 14.2842 15.6555 15.6555 16.2011 16.2011 16.2011 16.2011 17.5511 17.5511 k = 0.0094-0.0054 0.0077 ( 4525 PWs) bands (ev): -77.4527 -77.4527 -48.4572 -48.4572 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8444 -22.8444 -15.1780 -15.1780 -15.1780 -15.1780 1.6715 1.6715 9.2991 9.2991 9.6377 9.6377 9.6402 9.6402 11.6200 11.6200 11.6205 11.6205 14.2406 14.2406 14.2418 14.2418 14.2804 14.2804 15.6613 15.6613 16.1830 16.1830 16.2004 16.2004 17.5577 17.5577 k = 0.0189-0.0109 0.0154 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8445 -22.8445 -15.1782 -15.1782 -15.1781 -15.1781 1.6756 1.6756 9.2984 9.2984 9.6336 9.6336 9.6428 9.6428 11.6210 11.6210 11.6228 11.6228 14.2343 14.2343 14.2369 14.2369 14.2757 14.2757 15.6789 15.6789 16.1389 16.1389 16.2012 16.2012 17.5758 17.5758 k = 0.0283-0.0163 0.0231 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8446 -22.8446 -15.1786 -15.1786 -15.1782 -15.1782 1.6823 1.6823 9.2970 9.2970 9.6272 9.6272 9.6472 9.6472 11.6227 11.6227 11.6267 11.6267 14.2242 14.2242 14.2287 14.2287 14.2681 14.2681 15.7078 15.7078 16.0702 16.0702 16.2025 16.2025 17.6013 17.6013 k = 0.0377-0.0218 0.0308 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8447 -22.8447 -15.1792 -15.1792 -15.1785 -15.1785 1.6918 1.6918 9.2943 9.2943 9.6191 9.6191 9.6532 9.6532 11.6250 11.6250 11.6321 11.6321 14.2103 14.2103 14.2174 14.2174 14.2579 14.2579 15.7473 15.7473 15.9819 15.9819 16.2043 16.2043 17.6297 17.6297 k = 0.0472-0.0272 0.0385 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8449 -22.8449 -15.1798 -15.1798 -15.1788 -15.1788 1.7039 1.7039 9.2897 9.2897 9.6101 9.6101 9.6609 9.6609 11.6280 11.6280 11.6389 11.6389 14.1929 14.1929 14.2030 14.2030 14.2455 14.2455 15.7950 15.7950 15.8805 15.8805 16.2067 16.2067 17.6576 17.6576 k = 0.0566-0.0327 0.0462 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8451 -22.8451 -15.1807 -15.1807 -15.1792 -15.1792 1.7186 1.7186 9.2823 9.2823 9.6014 9.6014 9.6704 9.6704 11.6316 11.6316 11.6471 11.6471 14.1721 14.1721 14.1856 14.1856 14.2314 14.2314 15.7580 15.7580 15.8622 15.8622 16.2098 16.2098 17.6835 17.6835 k = 0.0660-0.0381 0.0539 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4570 -48.4570 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8453 -22.8453 -15.1816 -15.1816 -15.1796 -15.1796 1.7360 1.7360 9.2710 9.2710 9.5941 9.5941 9.6814 9.6814 11.6359 11.6359 11.6570 11.6570 14.1479 14.1479 14.1650 14.1650 14.2159 14.2159 15.6372 15.6372 15.9287 15.9287 16.2138 16.2138 17.7064 17.7064 k = 0.0755-0.0436 0.0616 ( 4533 PWs) bands (ev): -77.4530 -77.4530 -48.4570 -48.4570 -43.1515 -43.1515 -41.4203 -41.4203 -41.4203 -41.4203 -22.8456 -22.8456 -15.1827 -15.1827 -15.1801 -15.1801 1.7559 1.7559 9.2549 9.2549 9.5894 9.5894 9.6941 9.6941 11.6407 11.6407 11.6676 11.6676 14.1205 14.1205 14.1410 14.1410 14.1995 14.1996 15.5087 15.5087 16.0043 16.0043 16.2191 16.2191 17.7259 17.7259 k = 0.0849-0.0490 0.0693 ( 4517 PWs) bands (ev): -77.4526 -77.4526 -48.4569 -48.4569 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8459 -22.8459 -15.1839 -15.1839 -15.1807 -15.1807 1.7785 1.7785 9.2335 9.2335 9.5886 9.5886 9.7087 9.7087 11.6463 11.6463 11.6801 11.6801 14.0923 14.0923 14.1156 14.1156 14.1836 14.1836 15.3767 15.3767 16.0852 16.0852 16.2281 16.2281 17.7419 17.7419 k = 0.0943-0.0545 0.0770 ( 4517 PWs) bands (ev): -77.4526 -77.4526 -48.4569 -48.4569 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8462 -22.8462 -15.1853 -15.1853 -15.1813 -15.1813 1.8035 1.8035 9.2064 9.2064 9.5917 9.5917 9.7247 9.7247 11.6524 11.6524 11.6926 11.6926 14.0608 14.0608 14.0868 14.0868 14.1670 14.1670 15.2420 15.2420 16.1611 16.1611 16.2496 16.2496 17.7536 17.7536 k = 0.1038-0.0599 0.0847 ( 4501 PWs) bands (ev): -77.4522 -77.4522 -48.4568 -48.4568 -43.1513 -43.1513 -41.4203 -41.4203 -41.4201 -41.4201 -22.8465 -22.8465 -15.1867 -15.1867 -15.1819 -15.1819 1.8310 1.8310 9.1738 9.1738 9.5992 9.5992 9.7426 9.7426 11.6593 11.6593 11.7062 11.7062 14.0287 14.0287 14.0569 14.0569 14.1505 14.1505 15.1067 15.1067 16.2030 16.2030 16.3127 16.3127 17.7605 17.7605 k = 0.1132-0.0654 0.0924 ( 4509 PWs) bands (ev): -77.4524 -77.4524 -48.4568 -48.4568 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8469 -22.8469 -15.1883 -15.1883 -15.1827 -15.1827 1.8608 1.8608 9.1361 9.1361 9.6104 9.6104 9.7617 9.7617 11.6663 11.6663 11.7200 11.7200 13.9933 13.9933 14.0233 14.0233 14.1323 14.1323 14.9718 14.9718 16.2178 16.2178 16.4089 16.4089 17.7618 17.7618 k = 0.1226-0.0708 0.1001 ( 4509 PWs) bands (ev): -77.4524 -77.4524 -48.4567 -48.4567 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8473 -22.8473 -15.1900 -15.1900 -15.1835 -15.1835 1.8931 1.8931 9.0941 9.0941 9.6253 9.6253 9.7824 9.7824 11.6740 11.6740 11.7344 11.7344 13.9569 13.9569 13.9884 13.9884 14.1134 14.1134 14.8390 14.8390 16.2266 16.2266 16.5172 16.5172 17.7567 17.7567 k = 0.1321-0.0763 0.1078 ( 4508 PWs) bands (ev): -77.4524 -77.4524 -48.4567 -48.4567 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8478 -22.8478 -15.1918 -15.1918 -15.1843 -15.1843 1.9276 1.9276 9.0484 9.0484 9.6435 9.6435 9.8046 9.8046 11.6825 11.6825 11.7489 11.7489 13.9196 13.9196 13.9523 13.9523 14.0922 14.0922 14.7098 14.7098 16.2343 16.2343 16.6325 16.6325 17.7448 17.7448 k = 0.1415-0.0817 0.1155 ( 4500 PWs) bands (ev): -77.4522 -77.4522 -48.4566 -48.4566 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8482 -22.8482 -15.1937 -15.1937 -15.1851 -15.1851 1.9644 1.9644 8.9996 8.9996 9.6646 9.6646 9.8283 9.8283 11.6915 11.6915 11.7637 11.7637 13.8819 13.8819 13.9154 13.9154 14.0668 14.0668 14.5874 14.5874 16.2418 16.2418 16.7529 16.7529 17.7257 17.7257 k = 0.1509-0.0871 0.1232 ( 4500 PWs) bands (ev): -77.4522 -77.4522 -48.4565 -48.4565 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8487 -22.8487 -15.1957 -15.1957 -15.1861 -15.1861 2.0033 2.0033 8.9482 8.9482 9.6882 9.6882 9.8532 9.8532 11.7007 11.7007 11.7785 11.7785 13.8429 13.8429 13.8769 13.8769 14.0337 14.0337 14.4752 14.4752 16.2489 16.2489 16.8774 16.8774 17.6990 17.6990 k = 0.1604-0.0926 0.1309 ( 4504 PWs) bands (ev): -77.4522 -77.4522 -48.4564 -48.4564 -43.1514 -43.1514 -41.4204 -41.4204 -41.4203 -41.4203 -22.8492 -22.8492 -15.1978 -15.1978 -15.1870 -15.1870 2.0443 2.0443 8.8946 8.8946 9.7141 9.7141 9.8796 9.8796 11.7102 11.7102 11.7929 11.7929 13.8033 13.8033 13.8372 13.8372 13.9878 13.9878 14.3787 14.3787 16.2562 16.2562 17.0050 17.0050 17.6650 17.6650 k = 0.1698-0.0980 0.1387 ( 4508 PWs) bands (ev): -77.4523 -77.4523 -48.4564 -48.4564 -43.1514 -43.1514 -41.4204 -41.4204 -41.4203 -41.4203 -22.8497 -22.8497 -15.1999 -15.1999 -15.1880 -15.1880 2.0873 2.0873 8.8394 8.8394 9.7421 9.7421 9.9071 9.9071 11.7202 11.7202 11.8069 11.8069 13.7631 13.7631 13.7959 13.7959 13.9258 13.9258 14.3034 14.3034 16.2638 16.2638 17.1341 17.1341 17.6247 17.6247 k = 0.1792-0.1035 0.1464 ( 4516 PWs) bands (ev): -77.4525 -77.4525 -48.4563 -48.4563 -43.1515 -43.1515 -41.4205 -41.4205 -41.4204 -41.4204 -22.8503 -22.8503 -15.2021 -15.2021 -15.1891 -15.1891 2.1322 2.1322 8.7827 8.7827 9.7719 9.7719 9.9360 9.9360 11.7302 11.7302 11.8201 11.8201 13.7217 13.7217 13.7520 13.7520 13.8486 13.8486 14.2500 14.2500 16.2713 16.2713 17.2612 17.2612 17.5809 17.5809 k = 0.1887-0.1089 0.1541 ( 4528 PWs) bands (ev): -77.4528 -77.4528 -48.4562 -48.4562 -43.1516 -43.1516 -41.4205 -41.4205 -41.4205 -41.4205 -22.8508 -22.8508 -15.2044 -15.2044 -15.1901 -15.1901 2.1789 2.1789 8.7251 8.7251 9.8034 9.8034 9.9659 9.9659 11.7408 11.7408 11.8319 11.8319 13.6741 13.6741 13.7020 13.7020 13.7692 13.7692 14.2147 14.2147 16.2793 16.2793 17.3712 17.3712 17.5472 17.5472 k = 0.1981-0.1144 0.1618 ( 4536 PWs) bands (ev): -77.4530 -77.4530 -48.4561 -48.4561 -43.1517 -43.1517 -41.4206 -41.4206 -41.4205 -41.4205 -22.8514 -22.8514 -15.2067 -15.2067 -15.1912 -15.1912 2.2272 2.2272 8.6667 8.6667 9.8365 9.8365 9.9970 9.9970 11.7518 11.7518 11.8425 11.8425 13.5999 13.5999 13.6542 13.6542 13.7078 13.7078 14.1915 14.1915 16.2877 16.2877 17.4003 17.4003 17.5845 17.5845 k = 0.2075-0.1198 0.1695 ( 4536 PWs) bands (ev): -77.4530 -77.4530 -48.4561 -48.4561 -43.1517 -43.1517 -41.4206 -41.4206 -41.4205 -41.4205 -22.8520 -22.8520 -15.2090 -15.2090 -15.1923 -15.1923 2.2772 2.2772 8.6078 8.6078 9.8711 9.8711 10.0291 10.0291 11.7629 11.7629 11.8525 11.8525 13.5015 13.5015 13.6138 13.6138 13.6618 13.6618 14.1761 14.1761 16.2964 16.2964 17.3521 17.3521 17.6786 17.6786 k = 0.2170-0.1253 0.1772 ( 4536 PWs) bands (ev): -77.4530 -77.4530 -48.4560 -48.4560 -43.1517 -43.1517 -41.4206 -41.4206 -41.4206 -41.4206 -22.8526 -22.8526 -15.2113 -15.2113 -15.1934 -15.1934 2.3287 2.3287 8.5486 8.5486 9.9069 9.9069 10.0621 10.0621 11.7743 11.7743 11.8613 11.8613 13.3963 13.3963 13.5753 13.5753 13.6210 13.6210 14.1657 14.1657 16.3052 16.3052 17.2841 17.2841 17.7286 17.7286 k = 0.2264-0.1307 0.1849 ( 4544 PWs) bands (ev): -77.4532 -77.4532 -48.4559 -48.4559 -43.1518 -43.1518 -41.4207 -41.4207 -41.4206 -41.4206 -22.8531 -22.8531 -15.2137 -15.2137 -15.1945 -15.1945 2.3815 2.3815 8.4893 8.4893 9.9438 9.9438 10.0960 10.0960 11.7858 11.7858 11.8675 11.8675 13.2895 13.2895 13.5381 13.5381 13.5823 13.5823 14.1591 14.1591 16.3142 16.3142 17.2085 17.2085 17.6915 17.6915 k = 0.2358-0.1362 0.1926 ( 4544 PWs) bands (ev): -77.4532 -77.4532 -48.4558 -48.4558 -43.1518 -43.1518 -41.4208 -41.4208 -41.4206 -41.4206 -22.8537 -22.8537 -15.2161 -15.2161 -15.1957 -15.1957 2.4355 2.4355 8.4301 8.4301 9.9818 9.9818 10.1306 10.1306 11.7975 11.7975 11.8717 11.8717 13.1843 13.1843 13.5027 13.5027 13.5458 13.5458 14.1553 14.1553 16.3234 16.3234 17.1281 17.1281 17.6219 17.6219 k = 0.2453-0.1416 0.2003 ( 4528 PWs) bands (ev): -77.4528 -77.4528 -48.4557 -48.4557 -43.1517 -43.1517 -41.4207 -41.4207 -41.4205 -41.4205 -22.8543 -22.8543 -15.2185 -15.2185 -15.1968 -15.1968 2.4907 2.4907 8.3713 8.3713 10.0208 10.0208 10.1661 10.1661 11.8099 11.8099 11.8740 11.8740 13.0820 13.0820 13.4688 13.4688 13.5112 13.5112 14.1550 14.1550 16.3333 16.3333 17.0446 17.0446 17.5418 17.5418 k = 0.2547-0.1471 0.2080 ( 4520 PWs) bands (ev): -77.4526 -77.4526 -48.4556 -48.4556 -43.1517 -43.1517 -41.4207 -41.4207 -41.4205 -41.4205 -22.8549 -22.8549 -15.2208 -15.2208 -15.1980 -15.1980 2.5467 2.5467 8.3128 8.3128 10.0605 10.0605 10.2020 10.2020 11.8218 11.8218 11.8736 11.8736 12.9826 12.9826 13.4364 13.4364 13.4781 13.4781 14.1554 14.1554 16.3427 16.3427 16.9587 16.9587 17.4564 17.4564 k = 0.2642-0.1525 0.2157 ( 4528 PWs) bands (ev): -77.4528 -77.4528 -48.4555 -48.4555 -43.1518 -43.1518 -41.4208 -41.4208 -41.4205 -41.4205 -22.8555 -22.8555 -15.2232 -15.2232 -15.1991 -15.1991 2.6036 2.6036 8.2547 8.2547 10.1007 10.1007 10.2383 10.2383 11.8335 11.8335 11.8702 11.8702 12.8867 12.8867 13.4044 13.4044 13.4453 13.4453 14.1567 14.1567 16.3519 16.3519 16.8713 16.8713 17.3675 17.3675 k = 0.2736-0.1580 0.2234 ( 4528 PWs) bands (ev): -77.4528 -77.4528 -48.4554 -48.4554 -43.1518 -43.1518 -41.4208 -41.4208 -41.4206 -41.4206 -22.8561 -22.8561 -15.2255 -15.2255 -15.2003 -15.2003 2.6610 2.6610 8.1974 8.1974 10.1414 10.1414 10.2749 10.2749 11.8450 11.8450 11.8642 11.8642 12.7950 12.7950 13.3743 13.3743 13.4144 13.4144 14.1603 14.1603 16.3609 16.3609 16.7832 16.7832 17.2764 17.2764 k = 0.2830-0.1634 0.2311 ( 4520 PWs) bands (ev): -77.4526 -77.4526 -48.4553 -48.4553 -43.1517 -43.1517 -41.4207 -41.4207 -41.4206 -41.4206 -22.8566 -22.8566 -15.2278 -15.2278 -15.2014 -15.2014 2.7189 2.7189 8.1410 8.1410 10.1825 10.1825 10.3118 10.3118 11.8521 11.8521 11.8598 11.8598 12.7079 12.7079 13.3461 13.3461 13.3854 13.3854 14.1653 14.1653 16.3696 16.3696 16.6949 16.6949 17.1840 17.1840 k = 0.2925-0.1688 0.2388 ( 4504 PWs) bands (ev): -77.4522 -77.4522 -48.4552 -48.4552 -43.1516 -43.1516 -41.4207 -41.4207 -41.4205 -41.4205 -22.8572 -22.8572 -15.2301 -15.2301 -15.2025 -15.2025 2.7770 2.7770 8.0855 8.0855 10.2238 10.2238 10.3489 10.3489 11.8417 11.8417 11.8697 11.8697 12.6251 12.6251 13.3203 13.3203 13.3587 13.3587 14.1719 14.1719 16.3777 16.3777 16.6071 16.6071 17.0906 17.0906 k = 0.3019-0.1743 0.2465 ( 4504 PWs) bands (ev): -77.4522 -77.4522 -48.4551 -48.4551 -43.1516 -43.1516 -41.4207 -41.4207 -41.4205 -41.4205 -22.8577 -22.8577 -15.2323 -15.2323 -15.2036 -15.2036 2.8352 2.8352 8.0310 8.0310 10.2649 10.2649 10.3856 10.3856 11.8264 11.8264 11.8810 11.8810 12.5468 12.5468 13.2949 13.2949 13.3324 13.3324 14.1793 14.1793 16.3846 16.3846 16.5203 16.5203 16.9938 16.9938 k = 0.3113-0.1797 0.2542 ( 4504 PWs) bands (ev): -77.4522 -77.4522 -48.4551 -48.4551 -43.1517 -43.1517 -41.4207 -41.4207 -41.4205 -41.4205 -22.8583 -22.8583 -15.2345 -15.2345 -15.2047 -15.2047 2.8933 2.8933 7.9776 7.9776 10.3059 10.3059 10.4221 10.4221 11.8081 11.8081 11.8922 11.8922 12.4731 12.4731 13.2711 13.2711 13.3078 13.3078 14.1877 14.1877 16.3895 16.3895 16.4352 16.4352 16.8878 16.8878 k = 0.3208-0.1852 0.2619 ( 4512 PWs) bands (ev): -77.4524 -77.4524 -48.4550 -48.4550 -43.1517 -43.1517 -41.4208 -41.4208 -41.4206 -41.4206 -22.8588 -22.8588 -15.2366 -15.2366 -15.2057 -15.2057 2.9510 2.9510 7.9256 7.9256 10.3465 10.3465 10.4582 10.4582 11.7871 11.7871 11.9030 11.9030 12.4039 12.4039 13.2487 13.2487 13.2843 13.2843 14.1967 14.1967 16.3507 16.3507 16.3925 16.3925 16.7823 16.7823 k = 0.3302-0.1906 0.2696 ( 4512 PWs) bands (ev): -77.4524 -77.4524 -48.4549 -48.4549 -43.1517 -43.1517 -41.4208 -41.4208 -41.4206 -41.4206 -22.8593 -22.8593 -15.2386 -15.2386 -15.2067 -15.2067 3.0081 3.0081 7.8749 7.8749 10.3866 10.3866 10.4938 10.4938 11.7638 11.7638 11.9138 11.9138 12.3389 12.3389 13.2286 13.2286 13.2632 13.2632 14.2069 14.2069 16.2699 16.2699 16.3894 16.3894 16.6808 16.6808 k = 0.3396-0.1961 0.2773 ( 4512 PWs) bands (ev): -77.4524 -77.4524 -48.4548 -48.4548 -43.1518 -43.1518 -41.4208 -41.4208 -41.4206 -41.4206 -22.8598 -22.8598 -15.2406 -15.2406 -15.2077 -15.2077 3.0644 3.0644 7.8258 7.8258 10.4260 10.4260 10.5285 10.5285 11.7387 11.7387 11.9243 11.9243 12.2782 12.2782 13.2101 13.2101 13.2438 13.2438 14.2178 14.2178 16.1917 16.1917 16.3774 16.3774 16.5846 16.5846 k = 0.3491-0.2015 0.2850 ( 4500 PWs) bands (ev): -77.4521 -77.4521 -48.4547 -48.4547 -43.1517 -43.1517 -41.4208 -41.4208 -41.4206 -41.4206 -22.8603 -22.8603 -15.2424 -15.2424 -15.2087 -15.2087 3.1196 3.1196 7.7783 7.7783 10.4646 10.4646 10.5624 10.5624 11.7124 11.7124 11.9348 11.9348 12.2218 12.2218 13.1940 13.1940 13.2266 13.2266 14.2295 14.2295 16.1166 16.1166 16.3512 16.3512 16.4938 16.4938 k = 0.3585-0.2070 0.2927 ( 4500 PWs) bands (ev): -77.4521 -77.4521 -48.4547 -48.4547 -43.1517 -43.1517 -41.4208 -41.4208 -41.4206 -41.4206 -22.8608 -22.8608 -15.2442 -15.2442 -15.2096 -15.2096 3.1735 3.1735 7.7326 7.7326 10.5020 10.5020 10.5952 10.5952 11.6853 11.6853 11.9445 11.9445 12.1685 12.1685 13.1791 13.1791 13.2107 13.2107 14.2413 14.2413 16.0448 16.0448 16.3069 16.3069 16.4078 16.4078 k = 0.3679-0.2124 0.3004 ( 4500 PWs) bands (ev): -77.4521 -77.4521 -48.4546 -48.4546 -43.1517 -43.1517 -41.4208 -41.4208 -41.4206 -41.4206 -22.8612 -22.8612 -15.2459 -15.2459 -15.2104 -15.2104 3.2258 3.2258 7.6887 7.6887 10.5382 10.5382 10.6265 10.6265 11.6582 11.6582 11.9538 11.9538 12.1185 12.1185 13.1659 13.1659 13.1965 13.1965 14.2535 14.2535 15.9765 15.9765 16.2484 16.2484 16.3261 16.3261 k = 0.3774-0.2179 0.3081 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4545 -48.4545 -43.1516 -43.1516 -41.4208 -41.4208 -41.4205 -41.4205 -22.8616 -22.8616 -15.2475 -15.2475 -15.2112 -15.2112 3.2762 3.2762 7.6470 7.6470 10.5729 10.5729 10.6565 10.6565 11.6320 11.6320 11.9633 11.9633 12.0719 12.0719 13.1547 13.1547 13.1842 13.1842 14.2673 14.2673 15.9121 15.9121 16.1833 16.1833 16.2484 16.2484 k = 0.3868-0.2233 0.3158 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4544 -48.4544 -43.1516 -43.1516 -41.4208 -41.4208 -41.4204 -41.4204 -22.8620 -22.8620 -15.2490 -15.2490 -15.2120 -15.2120 3.3245 3.3245 7.6074 7.6074 10.6060 10.6060 10.6848 10.6848 11.6066 11.6066 11.9719 11.9719 12.0271 12.0271 13.1454 13.1454 13.1739 13.1739 14.2795 14.2795 15.8513 15.8513 16.1167 16.1167 16.1743 16.1743 k = 0.3962-0.2288 0.3235 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4544 -48.4544 -43.1516 -43.1516 -41.4208 -41.4208 -41.4205 -41.4205 -22.8623 -22.8623 -15.2504 -15.2504 -15.2127 -15.2127 3.3703 3.3703 7.5702 7.5702 10.6373 10.6373 10.7112 10.7112 11.5828 11.5828 11.9791 11.9791 11.9854 11.9854 13.1372 13.1372 13.1648 13.1648 14.2915 14.2915 15.7949 15.7949 16.0518 16.0518 16.1048 16.1048 k = 0.4057-0.2342 0.3312 ( 4468 PWs) bands (ev): -77.4513 -77.4513 -48.4543 -48.4543 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8626 -22.8626 -15.2517 -15.2517 -15.2134 -15.2134 3.4134 3.4134 7.5355 7.5355 10.6667 10.6667 10.7356 10.7356 11.5611 11.5611 11.9461 11.9461 11.9865 11.9865 13.1312 13.1312 13.1580 13.1580 14.3033 14.3033 15.7427 15.7427 15.9901 15.9901 16.0402 16.0402 k = 0.4151-0.2397 0.3389 ( 4468 PWs) bands (ev): -77.4513 -77.4513 -48.4543 -48.4543 -43.1515 -43.1515 -41.4208 -41.4208 -41.4204 -41.4204 -22.8630 -22.8630 -15.2529 -15.2529 -15.2140 -15.2140 3.4535 3.4535 7.5033 7.5033 10.6939 10.6939 10.7578 10.7578 11.5416 11.5416 11.9090 11.9090 11.9936 11.9936 13.1257 13.1257 13.1517 13.1517 14.3144 14.3144 15.6944 15.6944 15.9318 15.9318 15.9806 15.9806 k = 0.4245-0.2451 0.3466 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1517 -43.1517 -41.4209 -41.4209 -41.4206 -41.4206 -22.8632 -22.8632 -15.2540 -15.2540 -15.2146 -15.2146 3.4903 3.4903 7.4740 7.4740 10.7187 10.7187 10.7776 10.7776 11.5244 11.5244 11.8746 11.8746 11.9987 11.9987 13.1204 13.1204 13.1456 13.1456 14.3245 14.3245 15.6508 15.6508 15.8776 15.8776 15.9273 15.9273 k = 0.4340-0.2505 0.3543 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1517 -43.1517 -41.4209 -41.4209 -41.4206 -41.4206 -22.8635 -22.8635 -15.2549 -15.2549 -15.2151 -15.2151 3.5235 3.5235 7.4477 7.4477 10.7411 10.7411 10.7952 10.7952 11.5100 11.5100 11.8432 11.8432 12.0040 12.0040 13.1171 13.1171 13.1417 13.1417 14.3342 14.3342 15.6118 15.6118 15.8281 15.8281 15.8805 15.8805 k = 0.4434-0.2560 0.3620 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1516 -43.1516 -41.4209 -41.4209 -41.4205 -41.4205 -22.8637 -22.8637 -15.2558 -15.2558 -15.2155 -15.2155 3.5529 3.5529 7.4246 7.4246 10.7611 10.7611 10.8103 10.8103 11.4983 11.4983 11.8150 11.8150 12.0087 12.0087 13.1151 13.1151 13.1392 13.1392 14.3436 14.3436 15.5777 15.5777 15.7836 15.7836 15.8402 15.8402 k = 0.4528-0.2614 0.3697 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1517 -43.1517 -41.4210 -41.4210 -41.4206 -41.4206 -22.8639 -22.8639 -15.2565 -15.2565 -15.2159 -15.2159 3.5782 3.5782 7.4047 7.4047 10.7782 10.7782 10.8228 10.8228 11.4888 11.4888 11.7898 11.7898 12.0127 12.0127 13.1129 13.1129 13.1365 13.1365 14.3509 14.3509 15.5484 15.5484 15.7447 15.7447 15.8061 15.8061 k = 0.4623-0.2669 0.3774 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1517 -43.1517 -41.4209 -41.4209 -41.4205 -41.4205 -22.8640 -22.8640 -15.2570 -15.2570 -15.2162 -15.2162 3.5993 3.5993 7.3882 7.3882 10.7927 10.7927 10.8330 10.8330 11.4817 11.4817 11.7688 11.7688 12.0162 12.0162 13.1124 13.1124 13.1357 13.1357 14.3573 14.3573 15.5243 15.5243 15.7121 15.7121 15.7787 15.7787 k = 0.4717-0.2723 0.3851 ( 4468 PWs) bands (ev): -77.4513 -77.4513 -48.4541 -48.4541 -43.1516 -43.1516 -41.4208 -41.4208 -41.4205 -41.4205 -22.8641 -22.8641 -15.2575 -15.2575 -15.2164 -15.2164 3.6158 3.6158 7.3754 7.3754 10.8041 10.8041 10.8407 10.8407 11.4766 11.4766 11.7525 11.7525 12.0188 12.0188 13.1117 13.1117 13.1348 13.1348 14.3624 14.3624 15.5057 15.5057 15.6861 15.6861 15.7586 15.7586 k = 0.4811-0.2778 0.3928 ( 4464 PWs) bands (ev): -77.4512 -77.4512 -48.4541 -48.4541 -43.1516 -43.1516 -41.4208 -41.4208 -41.4205 -41.4205 -22.8642 -22.8642 -15.2578 -15.2578 -15.2166 -15.2166 3.6278 3.6278 7.3661 7.3661 10.8125 10.8125 10.8461 10.8461 11.4732 11.4732 11.7400 11.7400 12.0208 12.0208 13.1116 13.1116 13.1345 13.1345 14.3661 14.3661 15.4922 15.4922 15.6672 15.6672 15.7436 15.7436 k = 0.4906-0.2832 0.4005 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8642 -22.8642 -15.2580 -15.2580 -15.2167 -15.2167 3.6350 3.6350 7.3605 7.3605 10.8176 10.8176 10.8492 10.8492 11.4713 11.4713 11.7329 11.7329 12.0219 12.0219 13.1117 13.1117 13.1345 13.1345 14.3683 14.3683 15.4842 15.4842 15.6557 15.6557 15.7353 15.7353 k = 0.5000-0.2887 0.4082 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8643 -22.8643 -15.2580 -15.2580 -15.2167 -15.2167 3.6374 3.6374 7.3587 7.3587 10.8193 10.8193 10.8503 10.8503 11.4707 11.4707 11.7303 11.7303 12.0223 12.0223 13.1116 13.1116 13.1344 13.1344 14.3690 14.3690 15.4815 15.4815 15.6519 15.6519 15.7323 15.7323 k = 0.5000-0.2887 0.4082 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8643 -22.8643 -15.2580 -15.2580 -15.2167 -15.2167 3.6374 3.6374 7.3587 7.3587 10.8193 10.8193 10.8503 10.8503 11.4707 11.4707 11.7303 11.7303 12.0223 12.0223 13.1116 13.1116 13.1344 13.1344 14.3690 14.3690 15.4815 15.4815 15.6519 15.6519 15.7323 15.7323 k = 0.5000-0.2780 0.4158 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8645 -22.8640 -15.2588 -15.2572 -15.2167 -15.2167 3.6318 3.6430 7.3601 7.3609 10.8081 10.8172 10.8350 10.8610 11.4691 11.4714 11.7360 11.7372 12.0228 12.0232 13.1079 13.1147 13.1319 13.1371 14.3660 14.3710 15.4456 15.5078 15.6359 15.6428 15.7267 15.7744 k = 0.5000-0.2673 0.4234 ( 4458 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8648 -22.8637 -15.2596 -15.2564 -15.2169 -15.2167 3.6263 3.6486 7.3651 7.3668 10.7807 10.8074 10.8099 10.8708 11.4671 11.4715 11.7537 11.7555 12.0246 12.0253 13.1036 13.1170 13.1297 13.1400 14.3621 14.3720 15.4026 15.5216 15.6079 15.6218 15.7614 15.8233 k = 0.5000-0.2566 0.4309 ( 4460 PWs) bands (ev): -77.4511 -77.4511 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8651 -22.8635 -15.2603 -15.2555 -15.2170 -15.2167 3.6208 3.6542 7.3738 7.3764 10.7385 10.7706 10.7960 10.8803 11.4656 11.4716 11.7815 11.7825 12.0279 12.0292 13.0986 13.1179 13.1281 13.1430 14.3573 14.3719 15.3554 15.5105 15.5873 15.6134 15.8080 15.8719 k = 0.5000-0.2459 0.4385 ( 4460 PWs) bands (ev): -77.4511 -77.4511 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8654 -22.8632 -15.2611 -15.2546 -15.2172 -15.2168 3.6153 3.6597 7.3862 7.3896 10.6838 10.7202 10.7825 10.8892 11.4648 11.4720 11.8155 11.8164 12.0328 12.0347 13.0931 13.1178 13.1275 13.1465 14.3515 14.3704 15.3065 15.4729 15.5907 15.6096 15.8577 15.9180 k = 0.5000-0.2352 0.4460 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1517 -43.1516 -41.4209 -41.4208 -41.4206 -41.4206 -22.8656 -22.8630 -15.2617 -15.2537 -15.2174 -15.2170 3.6100 3.6652 7.4022 7.4063 10.6192 10.6593 10.7682 10.8972 11.4650 11.4730 11.8516 11.8558 12.0388 12.0416 13.0865 13.1149 13.1274 13.1489 14.3443 14.3672 15.2573 15.4271 15.6023 15.6094 15.9065 15.9599 k = 0.5000-0.2245 0.4536 ( 4460 PWs) bands (ev): -77.4511 -77.4511 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8659 -22.8627 -15.2624 -15.2527 -15.2176 -15.2172 3.6047 3.6706 7.4218 7.4267 10.5467 10.5902 10.7536 10.9045 11.4670 11.4753 11.8898 11.8984 12.0470 12.0514 13.0803 13.1130 13.1284 13.1534 14.3383 14.3646 15.2094 15.3807 15.6121 15.6166 15.9525 15.9977 k = 0.5000-0.2138 0.4612 ( 4464 PWs) bands (ev): -77.4512 -77.4512 -48.4541 -48.4541 -43.1516 -43.1515 -41.4209 -41.4207 -41.4205 -41.4205 -22.8662 -22.8625 -15.2630 -15.2518 -15.2178 -15.2174 3.5996 3.6759 7.4451 7.4507 10.4679 10.5143 10.7387 10.9108 11.4697 11.4779 11.9273 11.9418 12.0558 12.0622 13.0728 13.1096 13.1289 13.1574 14.3303 14.3595 15.1629 15.3354 15.6171 15.6319 15.9933 16.0303 k = 0.5000-0.2031 0.4687 ( 4464 PWs) bands (ev): -77.4512 -77.4512 -48.4541 -48.4541 -43.1516 -43.1515 -41.4209 -41.4207 -41.4205 -41.4205 -22.8664 -22.8622 -15.2635 -15.2508 -15.2181 -15.2177 3.5946 3.6811 7.4719 7.4781 10.3841 10.4330 10.7237 10.9161 11.4736 11.4812 11.9635 11.9851 12.0658 12.0753 13.0649 13.1055 13.1296 13.1616 14.3226 14.3540 15.1184 15.2918 15.6240 15.6481 16.0282 16.0581 k = 0.5000-0.1925 0.4763 ( 4468 PWs) bands (ev): -77.4513 -77.4513 -48.4541 -48.4541 -43.1517 -43.1515 -41.4209 -41.4207 -41.4206 -41.4205 -22.8667 -22.8620 -15.2641 -15.2498 -15.2184 -15.2180 3.5898 3.6861 7.5023 7.5091 10.2964 10.3475 10.7089 10.9205 11.4784 11.4849 11.9969 12.0274 12.0766 12.0906 13.0564 13.1006 13.1303 13.1658 14.3147 14.3477 15.0760 15.2504 15.6324 15.6650 16.0565 16.0812 k = 0.5000-0.1818 0.4838 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4209 -41.4207 -41.4206 -41.4206 -22.8669 -22.8618 -15.2646 -15.2488 -15.2187 -15.2183 3.5851 3.6910 7.5361 7.5434 10.2056 10.2586 10.6942 10.9240 11.4839 11.4889 12.0266 12.0678 12.0891 12.1093 13.0474 13.0950 13.1308 13.1702 14.3062 14.3403 15.0359 15.2114 15.6422 15.6824 16.0787 16.1002 k = 0.5000-0.1711 0.4914 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4209 -41.4207 -41.4206 -41.4206 -22.8671 -22.8616 -15.2650 -15.2478 -15.2191 -15.2187 3.5807 3.6957 7.5735 7.5812 10.1124 10.1672 10.6799 10.9266 11.4903 11.4933 12.0524 12.0994 12.1096 12.1308 13.0377 13.0887 13.1312 13.1745 14.2984 14.3330 14.9983 15.1748 15.6529 15.7002 16.0954 16.1157 k = 0.5000-0.1604 0.4990 ( 4482 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4208 -41.4206 -41.4206 -22.8674 -22.8614 -15.2655 -15.2468 -15.2194 -15.2192 3.5764 3.7002 7.6143 7.6222 10.0174 10.0736 10.6659 10.9285 11.4968 11.4974 12.0741 12.1146 12.1450 12.1550 13.0273 13.0813 13.1311 13.1783 14.2896 14.3242 14.9632 15.1408 15.6643 15.7182 16.1070 16.1278 k = 0.5000-0.1497 0.5065 ( 4482 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4208 -41.4206 -41.4206 -22.8676 -22.8612 -15.2659 -15.2458 -15.2197 -15.2196 3.5723 3.7046 7.6585 7.6666 9.9209 9.9787 10.6525 10.9298 11.5019 11.5038 12.0939 12.1298 12.1791 12.1798 13.0169 13.0737 13.1316 13.1828 14.2818 14.3158 14.9306 15.1093 15.6762 15.7362 16.1151 16.1377 k = 0.5000-0.1390 0.5141 ( 4478 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1516 -41.4209 -41.4207 -41.4206 -41.4206 -22.8678 -22.8610 -15.2662 -15.2447 -15.2201 -15.2201 3.5685 3.7087 7.7060 7.7141 9.8236 9.8827 10.6397 10.9305 11.5062 11.5110 12.1123 12.1458 12.2045 12.2107 13.0063 13.0657 13.1323 13.1875 14.2740 14.3070 14.9006 15.0804 15.6883 15.7542 16.1202 16.1457 k = 0.5000-0.1283 0.5217 ( 4482 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4208 -41.4206 -41.4206 -22.8680 -22.8608 -15.2666 -15.2437 -15.2207 -15.2204 3.5649 3.7125 7.7568 7.7646 9.7256 9.7862 10.6275 10.9308 11.5106 11.5184 12.1298 12.1622 12.2274 12.2392 12.9946 13.0564 13.1325 13.1918 14.2668 14.2983 14.8729 15.0538 15.7003 15.7719 16.1229 16.1520 k = 0.5000-0.1176 0.5292 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4208 -41.4206 -41.4206 -22.8682 -22.8607 -15.2669 -15.2427 -15.2213 -15.2207 3.5615 3.7162 7.8108 7.8181 9.6274 9.6896 10.6160 10.9307 11.5148 11.5256 12.1469 12.1789 12.2483 12.2647 12.9834 13.0471 13.1333 13.1965 14.2598 14.2897 14.8477 15.0297 15.7122 15.7891 16.1240 16.1573 k = 0.5000-0.1069 0.5368 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4208 -41.4206 -41.4206 -22.8683 -22.8605 -15.2671 -15.2417 -15.2219 -15.2210 3.5584 3.7195 7.8680 7.8745 9.5291 9.5931 10.6054 10.9303 11.5187 11.5326 12.1636 12.1961 12.2677 12.2875 12.9720 13.0375 13.1338 13.2008 14.2530 14.2810 14.8250 15.0081 15.7235 15.8057 16.1238 16.1617 k = 0.5000-0.0962 0.5443 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1518 -43.1516 -41.4211 -41.4208 -41.4206 -41.4206 -22.8685 -22.8604 -15.2674 -15.2407 -15.2225 -15.2213 3.5555 3.7226 7.9282 7.9334 9.4312 9.4972 10.5955 10.9296 11.5223 11.5391 12.1796 12.2137 12.2853 12.3072 12.9605 13.0274 13.1340 13.2046 14.2465 14.2725 14.8046 14.9888 15.7342 15.8214 16.1224 16.1650 k = 0.5000-0.0855 0.5519 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4206 -22.8686 -22.8603 -15.2676 -15.2397 -15.2232 -15.2216 3.5530 3.7254 7.9915 7.9949 9.3338 9.4023 10.5866 10.9289 11.5257 11.5454 12.1954 12.2311 12.3002 12.3238 12.9497 13.0179 13.1348 13.2088 14.2408 14.2647 14.7865 14.9717 15.7441 15.8362 16.1207 16.1681 k = 0.5000-0.0748 0.5595 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4206 -22.8688 -22.8602 -15.2678 -15.2388 -15.2238 -15.2218 3.5507 3.7279 8.0576 8.0584 9.2372 9.3089 10.5787 10.9281 11.5288 11.5511 12.2105 12.2486 12.3128 12.3369 12.9397 13.0088 13.1352 13.2123 14.2358 14.2575 14.7707 14.9568 15.7531 15.8498 16.1183 16.1704 k = 0.5000-0.0642 0.5670 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8689 -22.8601 -15.2679 -15.2378 -15.2245 -15.2220 3.5487 3.7300 8.1237 8.1266 9.1416 9.2175 10.5717 10.9272 11.5318 11.5565 12.2245 12.2656 12.3239 12.3475 12.9302 13.0001 13.1361 13.2160 14.2318 14.2515 14.7572 14.9442 15.7611 15.8621 16.1161 16.1727 k = 0.5000-0.0535 0.5746 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8600 -15.2680 -15.2369 -15.2251 -15.2222 3.5470 3.7319 8.1900 8.1984 9.0472 9.1289 10.5657 10.9264 11.5342 11.5610 12.2373 12.2819 12.3324 12.3548 12.9217 12.9921 13.1364 13.2188 14.2279 14.2458 14.7458 14.9335 15.7680 15.8728 16.1138 16.1745 k = 0.5000-0.0428 0.5821 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8600 -15.2681 -15.2361 -15.2258 -15.2224 3.5456 3.7334 8.2562 8.2727 8.9542 9.0444 10.5608 10.9257 11.5361 11.5647 12.2485 12.2971 12.3391 12.3591 12.9143 12.9852 13.1367 13.2211 14.2247 14.2410 14.7365 14.9249 15.7737 15.8818 16.1117 16.1760 k = 0.5000-0.0321 0.5897 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4206 -22.8691 -22.8599 -15.2682 -15.2354 -15.2264 -15.2225 3.5445 3.7346 8.3202 8.3493 8.8630 8.9660 10.5569 10.9251 11.5376 11.5676 12.2575 12.3112 12.3437 12.3602 12.9076 12.9787 13.1366 13.2226 14.2220 14.2372 14.7293 14.9182 15.7781 15.8890 16.1097 16.1771 k = 0.5000-0.0214 0.5973 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4211 -41.4206 -41.4206 -41.4205 -22.8691 -22.8599 -15.2683 -15.2348 -15.2268 -15.2226 3.5437 3.7355 8.3781 8.4280 8.7738 8.8978 10.5541 10.9247 11.5388 11.5699 12.2644 12.3242 12.3479 12.3592 12.9032 12.9745 13.1369 13.2241 14.2204 14.2346 14.7243 14.9135 15.7813 15.8943 16.1082 16.1778 k = 0.5000-0.0107 0.6048 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2345 -15.2272 -15.2227 3.5433 3.7360 8.4217 8.5074 8.6880 8.8480 10.5524 10.9244 11.5392 11.5709 12.2686 12.3336 12.3492 12.3558 12.9004 12.9719 13.1362 13.2241 14.2189 14.2325 14.7212 14.9107 15.7831 15.8974 16.1071 16.1782 k = 0.5000-0.0000 0.6124 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2343 -15.2273 -15.2227 3.5431 3.7362 8.4387 8.5668 8.6266 8.8289 10.5519 10.9243 11.5394 11.5713 12.2700 12.3382 12.3498 12.3535 12.8995 12.9710 13.1363 13.2244 14.2185 14.2319 14.7202 14.9097 15.7837 15.8985 16.1068 16.1784 k = 0.5000-0.0000 0.6124 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2343 -15.2273 -15.2227 3.5431 3.7362 8.4387 8.5668 8.6266 8.8289 10.5519 10.9243 11.5394 11.5713 12.2700 12.3382 12.3498 12.3535 12.8995 12.9710 13.1363 13.2244 14.2185 14.2319 14.7202 14.9097 15.7837 15.8985 16.1068 16.1784 k = 0.4934 0.0114 0.6124 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2344 -15.2273 -15.2226 3.5427 3.7355 8.4305 8.5302 8.6645 8.8387 10.5517 10.9232 11.5399 11.5718 12.2696 12.3360 12.3499 12.3553 12.9003 12.9715 13.1362 13.2242 14.2182 14.2329 14.7206 14.9100 15.7792 15.8949 16.1069 16.1882 k = 0.4868 0.0228 0.6124 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8691 -22.8599 -15.2683 -15.2345 -15.2272 -15.2224 3.5417 3.7338 8.4082 8.4766 8.7218 8.8657 10.5511 10.9200 11.5412 11.5732 12.2686 12.3312 12.3503 12.3594 12.9028 12.9734 13.1362 13.2239 14.2176 14.2357 14.7218 14.9108 15.7656 15.8839 16.1107 16.2141 k = 0.4803 0.0342 0.6124 ( 4481 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4211 -41.4207 -41.4206 -41.4205 -22.8691 -22.8599 -15.2683 -15.2346 -15.2272 -15.2221 3.5401 3.7312 8.3770 8.4236 8.7804 8.9050 10.5501 10.9145 11.5432 11.5754 12.2672 12.3252 12.3501 12.3644 12.9066 12.9761 13.1361 13.2233 14.2167 14.2398 14.7241 14.9122 15.7442 15.8652 16.1233 16.2501 k = 0.4737 0.0456 0.6124 ( 4473 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8599 -15.2683 -15.2348 -15.2271 -15.2217 3.5380 3.7278 8.3410 8.3727 8.8382 8.9523 10.5489 10.9067 11.5461 11.5784 12.2655 12.3190 12.3501 12.3699 12.9119 12.9799 13.1360 13.2225 14.2160 14.2451 14.7275 14.9143 15.7175 15.8399 16.1453 16.2919 k = 0.4671 0.0570 0.6124 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8599 -15.2682 -15.2351 -15.2270 -15.2213 3.5356 3.7238 8.3031 8.3244 8.8944 9.0046 10.5475 10.8966 11.5493 11.5818 12.2633 12.3127 12.3496 12.3752 12.9179 12.9841 13.1352 13.2208 14.2150 14.2510 14.7320 14.9171 15.6873 15.8096 16.1746 16.3371 k = 0.4605 0.0684 0.6124 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8689 -22.8599 -15.2682 -15.2353 -15.2269 -15.2208 3.5330 3.7192 8.2650 8.2791 8.9483 9.0598 10.5460 10.8843 11.5529 11.5855 12.2610 12.3066 12.3492 12.3806 12.9255 12.9894 13.1339 13.2185 14.2141 14.2572 14.7378 14.9206 15.6550 15.7760 16.2094 16.3848 k = 0.4539 0.0798 0.6124 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8688 -22.8599 -15.2682 -15.2355 -15.2268 -15.2203 3.5303 3.7144 8.2277 8.2369 8.9999 9.1164 10.5445 10.8697 11.5567 11.5896 12.2587 12.3006 12.3487 12.3861 12.9340 12.9953 13.1321 13.2157 14.2131 14.2638 14.7449 14.9249 15.6217 15.7405 16.2481 16.4342 k = 0.4474 0.0912 0.6124 ( 4470 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8687 -22.8599 -15.2682 -15.2358 -15.2267 -15.2197 3.5274 3.7094 8.1918 8.1983 9.0488 9.1730 10.5432 10.8530 11.5610 11.5941 12.2566 12.2948 12.3485 12.3919 12.9438 13.0021 13.1303 13.2128 14.2127 14.2709 14.7533 14.9298 15.5883 15.7043 16.2900 16.4849 k = 0.4408 0.1026 0.6124 ( 4473 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8686 -22.8599 -15.2682 -15.2360 -15.2265 -15.2193 3.5246 3.7043 8.1576 8.1633 9.0948 9.2286 10.5423 10.8344 11.5653 11.5985 12.2541 12.2891 12.3479 12.3973 12.9541 13.0092 13.1279 13.2091 14.2121 14.2779 14.7629 14.9352 15.5551 15.6676 16.3335 16.5359 k = 0.4342 0.1140 0.6124 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8686 -22.8600 -15.2682 -15.2362 -15.2264 -15.2188 3.5219 3.6993 8.1254 8.1319 9.1377 9.2823 10.5419 10.8141 11.5695 11.6028 12.2517 12.2835 12.3470 12.4024 12.9646 13.0163 13.1247 13.2049 14.2114 14.2848 14.7735 14.9408 15.5231 15.6313 16.3786 16.5873 k = 0.4276 0.1253 0.6124 ( 4477 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8685 -22.8600 -15.2682 -15.2364 -15.2262 -15.2183 3.5193 3.6945 8.0962 8.1038 9.1773 9.3333 10.5424 10.7923 11.5739 11.6071 12.2502 12.2790 12.3465 12.4074 12.9763 13.0242 13.1216 13.2006 14.2112 14.2917 14.7853 14.9467 15.4929 15.5960 16.4249 16.6388 k = 0.4211 0.1367 0.6124 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8684 -22.8600 -15.2683 -15.2366 -15.2260 -15.2179 3.5169 3.6900 8.0701 8.0788 9.2132 9.3808 10.5441 10.7694 11.5783 11.6113 12.2486 12.2747 12.3460 12.4121 12.9879 13.0320 13.1178 13.1960 14.2113 14.2986 14.7978 14.9523 15.4651 15.5619 16.4716 16.6896 k = 0.4145 0.1481 0.6124 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8683 -22.8600 -15.2683 -15.2368 -15.2258 -15.2176 3.5148 3.6858 8.0473 8.0571 9.2452 9.4239 10.5473 10.7457 11.5822 11.6149 12.2473 12.2709 12.3455 12.4163 12.9998 13.0399 13.1133 13.1909 14.2111 14.3046 14.8109 14.9574 15.4404 15.5295 16.5179 16.7390 k = 0.4079 0.1595 0.6124 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8682 -22.8600 -15.2683 -15.2369 -15.2257 -15.2173 3.5129 3.6822 8.0280 8.0385 9.2729 9.4619 10.5522 10.7216 11.5857 11.6181 12.2462 12.2675 12.3451 12.4201 13.0116 13.0477 13.1083 13.1858 14.2110 14.3100 14.8242 14.9617 15.4194 15.4992 16.5632 16.7861 k = 0.4013 0.1709 0.6124 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8682 -22.8601 -15.2683 -15.2370 -15.2255 -15.2170 3.5113 3.6791 8.0121 8.0232 9.2960 9.4942 10.5591 10.6976 11.5887 11.6209 12.2454 12.2648 12.3446 12.4231 13.0231 13.0548 13.1027 13.1807 14.2109 14.3146 14.8370 14.9647 15.4029 15.4715 16.6061 16.8292 k = 0.3947 0.1823 0.6124 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4542 -48.4542 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8681 -22.8601 -15.2684 -15.2371 -15.2254 -15.2168 3.5101 3.6766 7.9997 8.0113 9.3143 9.5201 10.5684 10.6741 11.5912 11.6231 12.2446 12.2623 12.3443 12.4256 13.0337 13.0607 13.0964 13.1760 14.2109 14.3184 14.8488 14.9663 15.3916 15.4471 16.6450 16.8662 k = 0.3882 0.1937 0.6124 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8601 -15.2684 -15.2372 -15.2253 -15.2167 3.5092 3.6748 7.9908 8.0027 9.3276 9.5391 10.5801 10.6518 11.5932 11.6248 12.2443 12.2606 12.3444 12.4278 13.0433 13.0658 13.0905 13.1726 14.2111 14.3214 14.8585 14.9668 15.3859 15.4269 16.6774 16.8948 k = 0.3816 0.2051 0.6124 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8601 -15.2684 -15.2372 -15.2253 -15.2166 3.5087 3.6738 7.9855 7.9976 9.3356 9.5507 10.5940 10.6312 11.5943 11.6258 12.2441 12.2596 12.3442 12.4290 13.0508 13.0692 13.0851 13.1701 14.2111 14.3231 14.8650 14.9667 15.3849 15.4118 16.6993 16.9122 k = 0.3750 0.2165 0.6124 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.3750 0.2165 0.6124 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.3683 0.2126 0.6014 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8599 -15.2685 -15.2359 -15.2259 -15.2163 3.4961 3.6644 8.0481 8.0607 9.2542 9.4692 10.5837 10.5953 11.6131 11.6472 12.2670 12.2829 12.3669 12.4512 13.0584 13.0635 13.0742 13.1721 14.2041 14.3228 14.8201 14.9253 15.4124 15.4325 16.7354 16.9517 k = 0.3616 0.2088 0.5905 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8681 -22.8598 -15.2686 -15.2346 -15.2265 -15.2159 3.4825 3.6534 8.1148 8.1277 9.1731 9.3860 10.5604 10.5735 11.6323 11.6688 12.2897 12.3070 12.3881 12.4695 13.0556 13.0650 13.0653 13.1757 14.1969 14.3218 14.7741 14.8836 15.4437 15.4630 16.7576 16.9794 k = 0.3549 0.2049 0.5796 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8680 -22.8596 -15.2686 -15.2334 -15.2270 -15.2155 3.4676 3.6403 8.1834 8.1967 9.0955 9.3056 10.5367 10.5512 11.6528 11.6916 12.3121 12.3317 12.4090 12.4855 13.0478 13.0550 13.0735 13.1802 14.1910 14.3221 14.7294 14.8420 15.4801 15.4973 16.7746 17.0014 k = 0.3482 0.2010 0.5686 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8679 -22.8595 -15.2685 -15.2322 -15.2272 -15.2150 3.4512 3.6249 8.2539 8.2675 9.0217 9.2283 10.5124 10.5285 11.6743 11.7150 12.3336 12.3565 12.4297 12.4989 13.0396 13.0441 13.0831 13.1854 14.1859 14.3232 14.6865 14.8012 15.5207 15.5352 16.7862 17.0178 k = 0.3415 0.1972 0.5577 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8678 -22.8593 -15.2683 -15.2314 -15.2272 -15.2145 3.4332 3.6072 8.3258 8.3396 8.9520 9.1545 10.4878 10.5054 11.6965 11.7390 12.3536 12.3813 12.4509 12.5105 13.0312 13.0325 13.0942 13.1915 14.1820 14.3254 14.6457 14.7616 15.5654 15.5764 16.7929 17.0288 k = 0.3348 0.1933 0.5468 ( 4490 PWs) bands (ev): -77.4519 -77.4519 -48.4543 -48.4543 -43.1519 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8677 -22.8591 -15.2680 -15.2311 -15.2266 -15.2139 3.4136 3.5870 8.3988 8.4128 8.8867 9.0846 10.4628 10.4820 11.7190 11.7630 12.3710 12.4053 12.4724 12.5196 13.0202 13.0230 13.1054 13.1974 14.1789 14.3281 14.6072 14.7235 15.6137 15.6207 16.7948 17.0347 k = 0.3281 0.1894 0.5358 ( 4490 PWs) bands (ev): -77.4519 -77.4519 -48.4543 -48.4543 -43.1519 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8675 -22.8590 -15.2676 -15.2311 -15.2256 -15.2133 3.3923 3.5643 8.4723 8.4863 8.8264 9.0192 10.4375 10.4583 11.7421 11.7871 12.3864 12.4284 12.4953 12.5280 13.0078 13.0154 13.1185 13.2048 14.1774 14.3321 14.5717 14.6873 15.6656 15.6681 16.7929 17.0362 k = 0.3214 0.1856 0.5249 ( 4488 PWs) bands (ev): -77.4519 -77.4519 -48.4544 -48.4544 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8673 -22.8588 -15.2671 -15.2313 -15.2243 -15.2126 3.3692 3.5391 8.5451 8.5590 8.7723 8.9596 10.4120 10.4343 11.7653 11.8110 12.3996 12.4498 12.5190 12.5361 12.9956 13.0090 13.1326 13.2129 14.1775 14.3368 14.5397 14.6533 15.7184 15.7207 16.7875 17.0338 k = 0.3147 0.1817 0.5140 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4544 -48.4544 -43.1518 -43.1515 -41.4211 -41.4206 -41.4206 -41.4205 -22.8671 -22.8586 -15.2665 -15.2315 -15.2229 -15.2119 3.3442 3.5113 8.6115 8.6284 8.7297 8.9081 10.3863 10.4103 11.7883 11.8343 12.4108 12.4683 12.5426 12.5441 12.9847 13.0045 13.1472 13.2216 14.1795 14.3418 14.5122 14.6218 15.7712 15.7789 16.7794 17.0280 k = 0.3080 0.1778 0.5030 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4544 -48.4544 -43.1518 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8668 -22.8584 -15.2658 -15.2317 -15.2215 -15.2112 3.3172 3.4808 8.6374 8.6865 8.7327 8.8725 10.3605 10.3861 11.8108 11.8567 12.4206 12.4835 12.5529 12.5651 12.9759 13.0026 13.1626 13.2310 14.1833 14.3456 14.4907 14.5930 15.8263 15.8399 16.7695 17.0197 k = 0.3013 0.1740 0.4921 ( 4490 PWs) bands (ev): -77.4519 -77.4519 -48.4545 -48.4545 -43.1518 -43.1516 -41.4210 -41.4206 -41.4206 -41.4205 -22.8665 -22.8583 -15.2649 -15.2319 -15.2200 -15.2104 3.2883 3.4478 8.6104 8.7115 8.7932 8.8744 10.3345 10.3619 11.8321 11.8774 12.4289 12.4936 12.5617 12.5841 12.9705 13.0043 13.1778 13.2403 14.1890 14.3464 14.4773 14.5672 15.8834 15.9032 16.7582 17.0093 k = 0.2946 0.1701 0.4811 ( 4488 PWs) bands (ev): -77.4519 -77.4519 -48.4545 -48.4545 -43.1518 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8661 -22.8581 -15.2639 -15.2320 -15.2185 -15.2095 3.2575 3.4123 8.5767 8.6964 8.8649 8.9208 10.3085 10.3377 11.8525 11.8967 12.4368 12.5000 12.5710 12.5991 12.9707 13.0108 13.1939 13.2506 14.1972 14.3427 14.4745 14.5448 15.9421 15.9688 16.7470 16.9980 k = 0.2879 0.1662 0.4702 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8658 -22.8579 -15.2628 -15.2319 -15.2170 -15.2087 3.2247 3.3743 8.5455 8.6663 8.9381 8.9860 10.2825 10.3135 11.8716 11.9143 12.4447 12.5026 12.5804 12.6089 12.9779 13.0229 13.2105 13.2615 14.2075 14.3343 14.4825 14.5263 16.0021 16.0364 16.7368 16.9866 k = 0.2812 0.1624 0.4593 ( 4488 PWs) bands (ev): -77.4519 -77.4519 -48.4546 -48.4546 -43.1517 -43.1515 -41.4210 -41.4206 -41.4206 -41.4204 -22.8654 -22.8576 -15.2616 -15.2319 -15.2155 -15.2078 3.1899 3.3338 8.5185 8.6347 9.0108 9.0565 10.2565 10.2895 11.8884 11.9292 12.4507 12.4998 12.5884 12.6116 12.9929 13.0406 13.2262 13.2716 14.2196 14.3228 14.4995 14.5121 16.0623 16.1051 16.7283 16.9757 k = 0.2746 0.1585 0.4483 ( 4496 PWs) bands (ev): -77.4521 -77.4521 -48.4547 -48.4547 -43.1518 -43.1516 -41.4210 -41.4206 -41.4206 -41.4205 -22.8649 -22.8574 -15.2602 -15.2317 -15.2140 -15.2069 3.1533 3.2912 8.4960 8.6053 9.0820 9.1279 10.2306 10.2656 11.9027 11.9414 12.4560 12.4926 12.5975 12.6095 13.0158 13.0640 13.2422 13.2822 14.2329 14.3103 14.5029 14.5236 16.1221 16.1745 16.7230 16.9663 k = 0.2679 0.1546 0.4374 ( 4494 PWs) bands (ev): -77.4520 -77.4520 -48.4547 -48.4547 -43.1518 -43.1515 -41.4209 -41.4206 -41.4206 -41.4205 -22.8645 -22.8572 -15.2588 -15.2314 -15.2125 -15.2059 3.1148 3.2463 8.4782 8.5795 9.1513 9.1985 10.2049 10.2421 11.9151 11.9513 12.4590 12.4810 12.6053 12.6084 13.0463 13.0932 13.2593 13.2937 14.2470 14.2985 14.5001 14.5537 16.1806 16.2441 16.7226 16.9598 k = 0.2612 0.1508 0.4265 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4548 -48.4548 -43.1517 -43.1515 -41.4209 -41.4205 -41.4205 -41.4204 -22.8639 -22.8569 -15.2571 -15.2310 -15.2110 -15.2050 3.0745 3.1995 8.4650 8.5579 9.2180 9.2674 10.1794 10.2189 11.9252 11.9589 12.4578 12.4648 12.6024 12.6217 13.0831 13.1271 13.2772 13.3061 14.2605 14.2878 14.5046 14.5890 16.2367 16.3132 16.7289 16.9574 k = 0.2545 0.1469 0.4155 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8634 -22.8567 -15.2554 -15.2304 -15.2096 -15.2040 3.0326 3.1509 8.4565 8.5405 9.2816 9.3337 10.1541 10.1960 11.9323 11.9634 12.4438 12.4492 12.6040 12.6373 13.1245 13.1645 13.2957 13.3186 14.2721 14.2784 14.5175 14.6289 16.2886 16.3802 16.7433 16.9602 k = 0.2478 0.1430 0.4046 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1517 -43.1515 -41.4208 -41.4206 -41.4205 -41.4204 -22.8629 -22.8564 -15.2535 -15.2298 -15.2081 -15.2030 2.9892 3.1006 8.4523 8.5276 9.3416 9.3970 10.1291 10.1737 11.9368 11.9653 12.4197 12.4332 12.6129 12.6561 13.1700 13.2046 13.3157 13.3319 14.2707 14.2814 14.5394 14.6730 16.3352 16.4436 16.7673 16.9700 k = 0.2411 0.1392 0.3937 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4550 -48.4550 -43.1517 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8623 -22.8561 -15.2515 -15.2291 -15.2066 -15.2020 2.9443 3.0488 8.4526 8.5191 9.3976 9.4566 10.1045 10.1519 11.9387 11.9647 12.3928 12.4106 12.6288 12.6777 13.2184 13.2456 13.3389 13.3467 14.2648 14.2883 14.5700 14.7207 16.3763 16.5023 16.8017 16.9885 k = 0.2344 0.1353 0.3827 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4550 -48.4550 -43.1516 -43.1514 -41.4208 -41.4205 -41.4204 -41.4204 -22.8617 -22.8558 -15.2495 -15.2282 -15.2052 -15.2010 2.8981 2.9958 8.4570 8.5148 9.4490 9.5121 10.0804 10.1309 11.9382 11.9618 12.3637 12.3832 12.6510 12.7027 13.2684 13.2845 13.3634 13.3674 14.2607 14.2934 14.6083 14.7714 16.4126 16.5546 16.8461 17.0171 k = 0.2277 0.1315 0.3718 ( 4487 PWs) bands (ev): -77.4518 -77.4518 -48.4551 -48.4551 -43.1516 -43.1514 -41.4207 -41.4205 -41.4204 -41.4204 -22.8611 -22.8555 -15.2472 -15.2272 -15.2038 -15.2000 2.8508 2.9417 8.4654 8.5149 9.4955 9.5629 10.0569 10.1106 11.9354 11.9568 12.3331 12.3528 12.6783 12.7307 13.3173 13.3186 13.3853 13.4047 14.2583 14.2976 14.6530 14.8246 16.4459 16.6003 16.8990 17.0565 k = 0.2210 0.1276 0.3609 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4552 -48.4552 -43.1516 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8604 -22.8551 -15.2449 -15.2262 -15.2024 -15.1990 2.8026 2.8868 8.4776 8.5190 9.5367 9.6085 10.0341 10.0912 11.9306 11.9499 12.3008 12.3197 12.7100 12.7619 13.3462 13.3575 13.4177 13.4499 14.2573 14.3012 14.7029 14.8795 16.4781 16.6396 16.9583 17.1059 k = 0.2143 0.1237 0.3499 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4553 -48.4553 -43.1516 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8598 -22.8548 -15.2425 -15.2250 -15.2010 -15.1980 2.7535 2.8312 8.4935 8.5272 9.5723 9.6486 10.0122 10.0728 11.9241 11.9415 12.2679 12.2857 12.7467 12.7973 13.3709 13.3857 13.4659 13.5018 14.2584 14.3054 14.7569 14.9354 16.5114 16.6742 17.0220 17.1639 k = 0.2076 0.1199 0.3390 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4553 -48.4553 -43.1516 -43.1515 -41.4207 -41.4205 -41.4204 -41.4204 -22.8591 -22.8544 -15.2401 -15.2237 -15.1997 -15.1970 2.7038 2.7751 8.5128 8.5391 9.6021 9.6827 9.9916 10.0554 11.9160 11.9317 12.2347 12.2510 12.7873 12.8360 13.3943 13.4081 13.5228 13.5578 14.2613 14.3105 14.8139 14.9914 16.5475 16.7057 17.0883 17.2280 k = 0.2009 0.1160 0.3281 ( 4489 PWs) bands (ev): -77.4518 -77.4518 -48.4554 -48.4554 -43.1515 -43.1514 -41.4207 -41.4205 -41.4203 -41.4203 -22.8584 -22.8541 -15.2375 -15.2223 -15.1984 -15.1959 2.6536 2.7189 8.5354 8.5547 9.6261 9.7105 9.9725 10.0391 11.9068 11.9209 12.2015 12.2163 12.8320 12.8785 13.4181 13.4299 13.5839 13.6167 14.2664 14.3172 14.8730 15.0469 16.5877 16.7361 17.1555 17.2962 k = 0.1942 0.1121 0.3171 ( 4505 PWs) bands (ev): -77.4522 -77.4522 -48.4555 -48.4555 -43.1516 -43.1515 -41.4207 -41.4206 -41.4204 -41.4204 -22.8577 -22.8537 -15.2349 -15.2208 -15.1971 -15.1950 2.6031 2.6626 8.5610 8.5737 9.6442 9.7313 9.9551 10.0236 11.8960 11.9087 12.1673 12.1806 12.8797 12.9239 13.4405 13.4502 13.6462 13.6764 14.2731 14.3251 14.9331 15.1010 16.6321 16.7659 17.2220 17.3664 k = 0.1875 0.1083 0.3062 ( 4505 PWs) bands (ev): -77.4522 -77.4522 -48.4556 -48.4556 -43.1516 -43.1515 -41.4207 -41.4205 -41.4204 -41.4203 -22.8571 -22.8533 -15.2322 -15.2192 -15.1959 -15.1940 2.5525 2.6065 8.5893 8.5960 9.6568 9.7453 9.9401 10.0090 11.8845 11.8959 12.1340 12.1458 12.9318 12.9735 13.4646 13.4724 13.7099 13.7373 14.2828 14.3357 14.9938 15.1532 16.6812 16.7963 17.2861 17.4368 k = 0.1808 0.1044 0.2953 ( 4501 PWs) bands (ev): -77.4521 -77.4521 -48.4557 -48.4557 -43.1516 -43.1514 -41.4206 -41.4205 -41.4203 -41.4203 -22.8563 -22.8529 -15.2294 -15.2176 -15.1947 -15.1930 2.5020 2.5507 8.6202 8.6214 9.6645 9.7523 9.9273 9.9951 11.8723 11.8825 12.1011 12.1115 12.9878 13.0270 13.4898 13.4959 13.7735 13.7983 14.2956 14.3493 15.0543 15.2031 16.7345 16.8270 17.3460 17.5058 k = 0.1741 0.1005 0.2843 ( 4505 PWs) bands (ev): -77.4522 -77.4522 -48.4558 -48.4558 -43.1516 -43.1515 -41.4207 -41.4205 -41.4203 -41.4203 -22.8556 -22.8525 -15.2267 -15.2158 -15.1935 -15.1920 2.4518 2.4955 8.6494 8.6534 9.6675 9.7526 9.9167 9.9814 11.8594 11.8686 12.0689 12.0779 13.0457 13.0824 13.5152 13.5198 13.8364 13.8582 14.3126 14.3670 15.1140 15.2504 16.7906 16.8573 17.3993 17.5719 k = 0.1674 0.0967 0.2734 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4558 -48.4558 -43.1515 -43.1514 -41.4206 -41.4204 -41.4203 -41.4202 -22.8549 -22.8521 -15.2238 -15.2140 -15.1923 -15.1911 2.4019 2.4410 8.6801 8.6887 9.6667 9.7477 9.9075 9.9677 11.8463 11.8546 12.0377 12.0455 13.1074 13.1417 13.5423 13.5457 13.8971 13.9162 14.3348 14.3898 15.1727 15.2953 16.8475 16.8860 17.4434 17.6332 k = 0.1607 0.0928 0.2624 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4559 -48.4559 -43.1514 -43.1514 -41.4205 -41.4204 -41.4202 -41.4202 -22.8542 -22.8516 -15.2210 -15.2121 -15.1912 -15.1902 2.3526 2.3873 8.7131 8.7258 9.6628 9.7386 9.8988 9.9537 11.8328 11.8402 12.0067 12.0133 13.1713 13.2034 13.5700 13.5724 13.9531 13.9697 14.3635 14.4189 15.2300 15.3377 16.9013 16.9103 17.4754 17.6873 k = 0.1540 0.0889 0.2515 ( 4505 PWs) bands (ev): -77.4522 -77.4522 -48.4560 -48.4560 -43.1515 -43.1514 -41.4206 -41.4205 -41.4203 -41.4203 -22.8536 -22.8512 -15.2182 -15.2102 -15.1902 -15.1893 2.3041 2.3347 8.7480 8.7644 9.6563 9.7265 9.8897 9.9391 11.8188 11.8254 11.9762 11.9819 13.2365 13.2663 13.5985 13.6001 14.0030 14.0175 14.4002 14.4557 15.2858 15.3779 16.9274 16.9467 17.4946 17.7297 k = 0.1473 0.0851 0.2406 ( 4505 PWs) bands (ev): -77.4522 -77.4522 -48.4561 -48.4561 -43.1515 -43.1514 -41.4205 -41.4204 -41.4203 -41.4203 -22.8529 -22.8508 -15.2154 -15.2083 -15.1891 -15.1884 2.2564 2.2833 8.7847 8.8042 9.6480 9.7127 9.8797 9.9239 11.8048 11.8106 11.9473 11.9520 13.3038 13.3318 13.6278 13.6291 14.0463 14.0593 14.4468 14.5014 15.3399 15.4163 16.9340 16.9766 17.5053 17.7531 k = 0.1406 0.0812 0.2296 ( 4511 PWs) bands (ev): -77.4524 -77.4524 -48.4562 -48.4562 -43.1515 -43.1515 -41.4206 -41.4205 -41.4203 -41.4203 -22.8522 -22.8504 -15.2126 -15.2063 -15.1881 -15.1875 2.2098 2.2333 8.8228 8.8450 9.6383 9.6979 9.8684 9.9078 11.7909 11.7961 11.9191 11.9230 13.3712 13.3973 13.6582 13.6592 14.0819 14.0942 14.5028 14.5561 15.3928 15.4535 16.9265 16.9833 17.5166 17.7547 k = 0.1339 0.0773 0.2187 ( 4503 PWs) bands (ev): -77.4522 -77.4522 -48.4562 -48.4562 -43.1514 -43.1514 -41.4205 -41.4204 -41.4202 -41.4202 -22.8516 -22.8499 -15.2098 -15.2043 -15.1872 -15.1867 2.1644 2.1847 8.8620 8.8864 9.6279 9.6827 9.8560 9.8912 11.7774 11.7820 11.8924 11.8955 13.4402 13.4648 13.6900 13.6912 14.1108 14.1230 14.5681 14.6195 15.4444 15.4900 16.9027 16.9628 17.5368 17.7473 k = 0.1272 0.0735 0.2078 ( 4491 PWs) bands (ev): -77.4519 -77.4519 -48.4563 -48.4563 -43.1513 -43.1513 -41.4204 -41.4203 -41.4201 -41.4201 -22.8509 -22.8495 -15.2071 -15.2023 -15.1863 -15.1859 2.1203 2.1378 8.9020 8.9281 9.6171 9.6677 9.8425 9.8740 11.7641 11.7682 11.8668 11.8691 13.5086 13.5322 13.7224 13.7243 14.1352 14.1473 14.6411 14.6904 15.4953 15.5264 16.8622 16.9172 17.5671 17.7432 k = 0.1205 0.0696 0.1968 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4564 -48.4564 -43.1513 -43.1513 -41.4204 -41.4203 -41.4202 -41.4202 -22.8503 -22.8491 -15.2045 -15.2003 -15.1854 -15.1852 2.0777 2.0926 8.9423 8.9697 9.6062 9.6527 9.8278 9.8562 11.7508 11.7545 11.8417 11.8435 13.5759 13.5990 13.7555 13.7587 14.1529 14.1650 14.7201 14.7673 15.5450 15.5624 16.8067 16.8529 17.6034 17.7455 k = 0.1138 0.0657 0.1859 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4565 -48.4565 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8497 -22.8486 -15.2019 -15.1983 -15.1846 -15.1844 2.0366 2.0492 8.9826 9.0107 9.5957 9.6385 9.8124 9.8381 11.7381 11.7414 11.8182 11.8195 13.6408 13.6638 13.7893 13.7941 14.1683 14.1804 14.8041 14.8493 15.5945 15.5992 16.7392 16.7763 17.6407 17.7527 k = 0.1071 0.0619 0.1750 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4565 -48.4565 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8491 -22.8482 -15.1994 -15.1964 -15.1839 -15.1837 1.9973 2.0078 9.0225 9.0507 9.5860 9.6253 9.7965 9.8200 11.7258 11.7287 11.7960 11.7968 13.7031 13.7268 13.8237 13.8310 14.1813 14.1931 14.8921 14.9356 15.6369 15.6437 16.6630 16.6921 17.6752 17.7620 k = 0.1004 0.0580 0.1640 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4566 -48.4566 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8486 -22.8478 -15.1970 -15.1944 -15.1831 -15.1831 1.9598 1.9684 9.0614 9.0892 9.5775 9.6132 9.7805 9.8019 11.7138 11.7164 11.7748 11.7754 13.7623 13.7877 13.8588 13.8696 14.1922 14.2036 14.9834 15.0252 15.6753 15.6926 16.5809 16.6038 17.7045 17.7706 k = 0.0938 0.0541 0.1531 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4567 -48.4567 -43.1513 -43.1513 -41.4203 -41.4202 -41.4202 -41.4202 -22.8480 -22.8474 -15.1947 -15.1926 -15.1825 -15.1824 1.9241 1.9312 9.0988 9.1256 9.5704 9.6027 9.7645 9.7840 11.7025 11.7047 11.7552 11.7554 13.8172 13.8451 13.8948 13.9095 14.2020 14.2128 15.0774 15.1177 15.7150 15.7416 16.4951 16.5136 17.7274 17.7768 k = 0.0871 0.0503 0.1422 ( 4497 PWs) bands (ev): -77.4521 -77.4521 -48.4567 -48.4567 -43.1513 -43.1513 -41.4203 -41.4202 -41.4202 -41.4202 -22.8476 -22.8471 -15.1925 -15.1908 -15.1818 -15.1818 1.8905 1.8962 9.1341 9.1594 9.5654 9.5939 9.7487 9.7667 11.6918 11.6938 11.7368 11.7368 13.8680 13.8985 13.9318 13.9506 14.2106 14.2207 15.1735 15.2125 15.7558 15.7905 16.4077 16.4231 17.7435 17.7793 k = 0.0804 0.0464 0.1312 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4568 -48.4568 -43.1513 -43.1513 -41.4202 -41.4202 -41.4201 -41.4201 -22.8471 -22.8467 -15.1904 -15.1891 -15.1813 -15.1812 1.8590 1.8635 9.1669 9.1899 9.5627 9.5874 9.7335 9.7500 11.6818 11.6835 11.7196 11.7198 13.9151 13.9468 13.9710 13.9921 14.2184 14.2277 15.2713 15.3089 15.7976 15.8391 16.3200 16.3339 17.7527 17.7775 k = 0.0737 0.0425 0.1203 ( 4499 PWs) bands (ev): -77.4521 -77.4521 -48.4568 -48.4568 -43.1513 -43.1513 -41.4202 -41.4202 -41.4202 -41.4202 -22.8467 -22.8464 -15.1885 -15.1874 -15.1808 -15.1807 1.8297 1.8332 9.1963 9.2166 9.5626 9.5833 9.7190 9.7340 11.6723 11.6738 11.7037 11.7040 13.9583 13.9886 14.0118 14.0325 14.2253 14.2336 15.3701 15.4063 15.8394 15.8870 16.2335 16.2471 17.7553 17.7712 k = 0.0670 0.0387 0.1094 ( 4513 PWs) bands (ev): -77.4525 -77.4525 -48.4569 -48.4569 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8463 -22.8461 -15.1867 -15.1859 -15.1803 -15.1802 1.8027 1.8053 9.2218 9.2389 9.5655 9.5819 9.7053 9.7190 11.6634 11.6647 11.6885 11.6890 13.9984 14.0256 14.0524 14.0707 14.2313 14.2385 15.4689 15.5038 15.8803 15.9336 16.1493 16.1646 17.7517 17.7607 k = 0.0603 0.0348 0.0984 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4569 -48.4569 -43.1515 -43.1515 -41.4203 -41.4203 -41.4203 -41.4203 -22.8460 -22.8458 -15.1851 -15.1845 -15.1799 -15.1798 1.7780 1.7799 9.2433 9.2569 9.5711 9.5834 9.6926 9.7050 11.6552 11.6563 11.6748 11.6753 14.0366 14.0603 14.0907 14.1059 14.2370 14.2430 15.5675 15.6011 15.9171 15.9781 16.0691 16.0898 17.7424 17.7464 k = 0.0536 0.0309 0.0875 ( 4529 PWs) bands (ev): -77.4529 -77.4529 -48.4570 -48.4570 -43.1515 -43.1515 -41.4204 -41.4204 -41.4203 -41.4203 -22.8456 -22.8455 -15.1836 -15.1832 -15.1795 -15.1794 1.7557 1.7571 9.2606 9.2708 9.5792 9.5877 9.6812 9.6922 11.6478 11.6487 11.6629 11.6634 14.0735 14.0936 14.1255 14.1373 14.2426 14.2473 15.6654 15.6976 15.9356 15.9872 16.0265 16.0376 17.7281 17.7289 k = 0.0469 0.0271 0.0765 ( 4521 PWs) bands (ev): -77.4527 -77.4527 -48.4570 -48.4570 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8453 -22.8453 -15.1823 -15.1820 -15.1791 -15.1790 1.7359 1.7368 9.2738 9.2809 9.5892 9.5943 9.6710 9.6807 11.6414 11.6422 11.6528 11.6534 14.1090 14.1257 14.1571 14.1656 14.2481 14.2514 15.7613 15.7922 15.9044 15.9188 16.0397 16.0641 17.7085 17.7093 k = 0.0402 0.0232 0.0656 ( 4527 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1515 -43.1515 -41.4203 -41.4203 -41.4203 -41.4203 -22.8451 -22.8451 -15.1812 -15.1810 -15.1788 -15.1787 1.7187 1.7192 9.2834 9.2879 9.5998 9.6023 9.6620 9.6704 11.6356 11.6363 11.6439 11.6444 14.1409 14.1541 14.1833 14.1883 14.2534 14.2552 15.8365 15.8531 15.8670 15.8839 16.0690 16.1002 17.6852 17.6863 k = 0.0335 0.0193 0.0547 ( 4521 PWs) bands (ev): -77.4527 -77.4527 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8449 -22.8449 -15.1802 -15.1800 -15.1786 -15.1785 1.7040 1.7043 9.2900 9.2927 9.6105 9.6112 9.6546 9.6616 11.6308 11.6314 11.6365 11.6369 14.1703 14.1803 14.2061 14.2076 14.2591 14.2593 15.7924 15.7964 15.9450 15.9683 16.1015 16.1322 17.6592 17.6599 k = 0.0268 0.0155 0.0437 ( 4521 PWs) bands (ev): -77.4527 -77.4527 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8447 -22.8447 -15.1794 -15.1793 -15.1783 -15.1783 1.6919 1.6920 9.2943 9.2957 9.6199 9.6203 9.6486 9.6542 11.6269 11.6273 11.6304 11.6307 14.1954 14.2022 14.2217 14.2230 14.2640 14.2651 15.7458 15.7475 16.0243 16.0449 16.1317 16.1588 17.6310 17.6311 k = 0.0201 0.0116 0.0328 ( 4521 PWs) bands (ev): -77.4527 -77.4527 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8446 -22.8446 -15.1787 -15.1787 -15.1782 -15.1781 1.6824 1.6825 9.2969 9.2975 9.6276 9.6284 9.6440 9.6482 11.6238 11.6241 11.6256 11.6259 14.2159 14.2198 14.2316 14.2343 14.2699 14.2711 15.7074 15.7080 16.0933 16.1100 16.1577 16.1794 17.6020 17.6022 k = 0.0134 0.0077 0.0219 ( 4521 PWs) bands (ev): -77.4527 -77.4527 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8445 -22.8445 -15.1783 -15.1783 -15.1781 -15.1780 1.6756 1.6757 9.2984 9.2986 9.6337 9.6345 9.6409 9.6437 11.6216 11.6218 11.6223 11.6225 14.2309 14.2327 14.2379 14.2404 14.2760 14.2767 15.6789 15.6791 16.1478 16.1597 16.1782 16.1933 17.5760 17.5762 k = 0.0067 0.0039 0.0109 ( 4521 PWs) bands (ev): -77.4526 -77.4526 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8444 -22.8444 -15.1780 -15.1780 -15.1780 -15.1779 1.6716 1.6716 9.2991 9.2991 9.6377 9.6382 9.6394 9.6408 11.6203 11.6203 11.6204 11.6205 14.2400 14.2406 14.2416 14.2431 14.2806 14.2807 15.6614 15.6614 16.1840 16.1903 16.1925 16.2002 17.5577 17.5578 k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -77.4515 -77.4515 -48.4571 -48.4571 -43.1510 -43.1510 -41.4200 -41.4200 -41.4200 -41.4200 -22.8444 -22.8444 -15.1779 -15.1779 -15.1779 -15.1779 1.6702 1.6702 9.2996 9.2996 9.6396 9.6396 9.6396 9.6396 11.6211 11.6211 11.6211 11.6211 14.2452 14.2452 14.2452 14.2452 14.2842 14.2842 15.6555 15.6555 16.2011 16.2011 16.2011 16.2011 17.5511 17.5511 k = 0.0000 0.0000 0.0000 ( 4477 PWs) bands (ev): -77.4515 -77.4515 -48.4571 -48.4571 -43.1510 -43.1510 -41.4200 -41.4200 -41.4200 -41.4200 -22.8444 -22.8444 -15.1779 -15.1779 -15.1779 -15.1779 1.6702 1.6702 9.2996 9.2996 9.6396 9.6396 9.6396 9.6396 11.6211 11.6211 11.6211 11.6211 14.2452 14.2452 14.2452 14.2452 14.2842 14.2842 15.6555 15.6555 16.2011 16.2011 16.2011 16.2011 17.5511 17.5511 k = 0.0109 0.0063 0.0044 ( 4525 PWs) bands (ev): -77.4527 -77.4527 -48.4572 -48.4572 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8444 -22.8444 -15.1780 -15.1780 -15.1780 -15.1779 1.6715 1.6715 9.2991 9.2991 9.6380 9.6380 9.6392 9.6407 11.6202 11.6202 11.6202 11.6203 14.2401 14.2401 14.2415 14.2430 14.2805 14.2805 15.6613 15.6613 16.1869 16.1908 16.1908 16.1983 17.5577 17.5577 k = 0.0217 0.0126 0.0089 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8445 -22.8445 -15.1783 -15.1783 -15.1780 -15.1780 1.6756 1.6756 9.2985 9.2985 9.6343 9.6343 9.6405 9.6436 11.6218 11.6219 11.6219 11.6221 14.2309 14.2309 14.2384 14.2414 14.2763 14.2763 15.6787 15.6787 16.1622 16.1665 16.1665 16.1843 17.5758 17.5758 k = 0.0326 0.0188 0.0133 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8446 -22.8446 -15.1787 -15.1787 -15.1782 -15.1781 1.6823 1.6823 9.2973 9.2973 9.6284 9.6284 9.6433 9.6479 11.6245 11.6247 11.6247 11.6250 14.2152 14.2152 14.2336 14.2382 14.2703 14.2703 15.7069 15.7069 16.1266 16.1283 16.1283 16.1583 17.6003 17.6003 k = 0.0435 0.0251 0.0177 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8447 -22.8447 -15.1794 -15.1794 -15.1783 -15.1782 1.6917 1.6917 9.2952 9.2952 9.6207 9.6207 9.6474 9.6536 11.6284 11.6286 11.6286 11.6290 14.1930 14.1930 14.2272 14.2334 14.2629 14.2629 15.7450 15.7450 16.0790 16.0790 16.0817 16.1217 17.6238 17.6238 k = 0.0543 0.0314 0.0222 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4571 -48.4571 -43.1514 -43.1514 -41.4203 -41.4203 -41.4203 -41.4203 -22.8449 -22.8449 -15.1802 -15.1802 -15.1785 -15.1784 1.7037 1.7037 9.2919 9.2919 9.6116 9.6116 9.6530 9.6607 11.6334 11.6336 11.6336 11.6341 14.1652 14.1652 14.2191 14.2269 14.2541 14.2541 15.7917 15.7917 16.0216 16.0216 16.0296 16.0765 17.6383 17.6383 k = 0.0652 0.0377 0.0266 ( 4531 PWs) bands (ev): -77.4529 -77.4529 -48.4571 -48.4571 -43.1515 -43.1515 -41.4204 -41.4204 -41.4203 -41.4203 -22.8451 -22.8451 -15.1811 -15.1811 -15.1787 -15.1786 1.7183 1.7183 9.2868 9.2868 9.6016 9.6016 9.6598 9.6691 11.6395 11.6397 11.6397 11.6403 14.1315 14.1315 14.2091 14.2187 14.2437 14.2437 15.8445 15.8445 15.9595 15.9595 15.9720 16.0245 17.6390 17.6390 k = 0.0761 0.0439 0.0311 ( 4531 PWs) bands (ev): -77.4529 -77.4529 -48.4570 -48.4570 -43.1515 -43.1515 -41.4204 -41.4204 -41.4203 -41.4203 -22.8453 -22.8453 -15.1823 -15.1823 -15.1790 -15.1788 1.7355 1.7355 9.2794 9.2794 9.5918 9.5918 9.6681 9.6788 11.6469 11.6470 11.6470 11.6478 14.0949 14.0949 14.1973 14.2087 14.2317 14.2317 15.8747 15.8747 15.9107 15.9223 15.9223 15.9676 17.6264 17.6264 k = 0.0870 0.0502 0.0355 ( 4528 PWs) bands (ev): -77.4528 -77.4528 -48.4570 -48.4570 -43.1515 -43.1515 -41.4204 -41.4204 -41.4203 -41.4203 -22.8456 -22.8456 -15.1835 -15.1835 -15.1793 -15.1791 1.7553 1.7553 9.2689 9.2689 9.5830 9.5830 9.6776 9.6897 11.6554 11.6555 11.6555 11.6563 14.0554 14.0554 14.1836 14.1969 14.2180 14.2180 15.8146 15.8146 15.8471 15.9073 15.9777 15.9777 17.6034 17.6034 k = 0.0978 0.0565 0.0399 ( 4525 PWs) bands (ev): -77.4528 -77.4528 -48.4570 -48.4570 -43.1515 -43.1515 -41.4203 -41.4203 -41.4203 -41.4203 -22.8458 -22.8458 -15.1850 -15.1850 -15.1796 -15.1794 1.7776 1.7776 9.2547 9.2547 9.5758 9.5758 9.6884 9.7019 11.6653 11.6653 11.6653 11.6662 14.0130 14.0130 14.1676 14.1829 14.2019 14.2019 15.7450 15.7450 15.7826 15.8452 16.0447 16.0447 17.5732 17.5732 k = 0.1087 0.0628 0.0444 ( 4513 PWs) bands (ev): -77.4525 -77.4525 -48.4569 -48.4569 -43.1514 -43.1514 -41.4203 -41.4203 -41.4202 -41.4202 -22.8462 -22.8462 -15.1866 -15.1866 -15.1800 -15.1798 1.8022 1.8022 9.2364 9.2364 9.5710 9.5710 9.7004 9.7153 11.6764 11.6764 11.6766 11.6774 13.9694 13.9694 14.1498 14.1672 14.1840 14.1840 15.6750 15.6750 15.7181 15.7825 16.1131 16.1132 17.5389 17.5389 k = 0.1196 0.0690 0.0488 ( 4507 PWs) bands (ev): -77.4523 -77.4523 -48.4568 -48.4568 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8465 -22.8465 -15.1883 -15.1883 -15.1804 -15.1802 1.8293 1.8293 9.2136 9.2136 9.5690 9.5690 9.7136 9.7299 11.6887 11.6887 11.6890 11.6897 13.9229 13.9229 14.1294 14.1491 14.1636 14.1636 15.6059 15.6059 15.6544 15.7199 16.1800 16.1800 17.5031 17.5031 k = 0.1304 0.0753 0.0532 ( 4501 PWs) bands (ev): -77.4522 -77.4522 -48.4568 -48.4568 -43.1513 -43.1513 -41.4202 -41.4202 -41.4202 -41.4202 -22.8469 -22.8469 -15.1901 -15.1901 -15.1808 -15.1806 1.8586 1.8586 9.1864 9.1864 9.5699 9.5699 9.7279 9.7455 11.7020 11.7020 11.7024 11.7030 13.8751 13.8751 14.1071 14.1292 14.1412 14.1412 15.5382 15.5382 15.5920 15.6580 16.2421 16.2421 17.4688 17.4688 k = 0.1413 0.0816 0.0577 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4567 -48.4567 -43.1513 -43.1513 -41.4202 -41.4202 -41.4202 -41.4202 -22.8473 -22.8473 -15.1921 -15.1921 -15.1813 -15.1810 1.8902 1.8902 9.1552 9.1552 9.5736 9.5736 9.7432 9.7621 11.7166 11.7166 11.7173 11.7176 13.8262 13.8262 14.0818 14.1064 14.1157 14.1157 15.4730 15.4730 15.5319 15.5980 16.2956 16.2956 17.4394 17.4394 k = 0.1522 0.0879 0.0621 ( 4498 PWs) bands (ev): -77.4521 -77.4521 -48.4567 -48.4567 -43.1513 -43.1513 -41.4202 -41.4202 -41.4202 -41.4202 -22.8477 -22.8477 -15.1942 -15.1942 -15.1817 -15.1815 1.9239 1.9239 9.1202 9.1202 9.5799 9.5799 9.7595 9.7795 11.7322 11.7322 11.7331 11.7332 13.7758 13.7758 14.0537 14.0810 14.0875 14.0875 15.4102 15.4102 15.4740 15.5398 16.3363 16.3363 17.4184 17.4184 k = 0.1630 0.0941 0.0666 ( 4498 PWs) bands (ev): -77.4521 -77.4521 -48.4566 -48.4566 -43.1513 -43.1513 -41.4202 -41.4202 -41.4202 -41.4202 -22.8481 -22.8481 -15.1964 -15.1964 -15.1822 -15.1820 1.9597 1.9597 9.0821 9.0821 9.5884 9.5884 9.7767 9.7979 11.7489 11.7489 11.7497 11.7502 13.7254 13.7254 14.0231 14.0533 14.0568 14.0568 15.3504 15.3504 15.4189 15.4842 16.3599 16.3599 17.4093 17.4093 k = 0.1739 0.1004 0.0710 ( 4498 PWs) bands (ev): -77.4521 -77.4521 -48.4565 -48.4565 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8486 -22.8486 -15.1986 -15.1986 -15.1828 -15.1825 1.9974 1.9974 9.0413 9.0413 9.5989 9.5989 9.7948 9.8170 11.7667 11.7667 11.7674 11.7684 13.6746 13.6746 13.9900 14.0231 14.0236 14.0236 15.2938 15.2938 15.3671 15.4314 16.3634 16.3634 17.4143 17.4143 k = 0.1848 0.1067 0.0754 ( 4498 PWs) bands (ev): -77.4521 -77.4521 -48.4565 -48.4565 -43.1513 -43.1513 -41.4203 -41.4203 -41.4203 -41.4202 -22.8491 -22.8491 -15.2010 -15.2010 -15.1833 -15.1830 2.0369 2.0369 8.9982 8.9982 9.6111 9.6111 9.8137 9.8369 11.7857 11.7857 11.7863 11.7878 13.6236 13.6236 13.9544 13.9878 13.9878 13.9904 15.2405 15.2405 15.3186 15.3817 16.3457 16.3457 17.4333 17.4333 k = 0.1957 0.1130 0.0799 ( 4492 PWs) bands (ev): -77.4520 -77.4520 -48.4564 -48.4564 -43.1513 -43.1513 -41.4203 -41.4203 -41.4202 -41.4202 -22.8496 -22.8496 -15.2034 -15.2034 -15.1838 -15.1835 2.0781 2.0781 8.9532 8.9532 9.6247 9.6247 9.8333 9.8574 11.8062 11.8062 11.8065 11.8088 13.5726 13.5726 13.9166 13.9499 13.9499 13.9557 15.1908 15.1908 15.2737 15.3354 16.3081 16.3081 17.4640 17.4640 k = 0.2065 0.1192 0.0843 ( 4504 PWs) bands (ev): -77.4523 -77.4523 -48.4563 -48.4563 -43.1514 -43.1514 -41.4204 -41.4204 -41.4203 -41.4203 -22.8501 -22.8501 -15.2059 -15.2059 -15.1844 -15.1841 2.1209 2.1209 8.9067 8.9067 9.6394 9.6394 9.8534 9.8783 11.8272 11.8272 11.8272 11.8303 13.5208 13.5208 13.8760 13.9092 13.9092 13.9181 15.1439 15.1439 15.2318 15.2920 16.2534 16.2534 17.5023 17.5023 k = 0.2174 0.1255 0.0887 ( 4504 PWs) bands (ev): -77.4522 -77.4522 -48.4563 -48.4563 -43.1514 -43.1514 -41.4204 -41.4204 -41.4203 -41.4203 -22.8506 -22.8506 -15.2084 -15.2084 -15.1850 -15.1847 2.1652 2.1652 8.8590 8.8590 9.6551 9.6551 9.8741 9.8997 11.8493 11.8497 11.8497 11.8534 13.4702 13.4702 13.8336 13.8668 13.8668 13.8788 15.1005 15.1005 15.1937 15.2522 16.1851 16.1851 17.5441 17.5441 k = 0.2283 0.1318 0.0932 ( 4507 PWs) bands (ev): -77.4523 -77.4523 -48.4562 -48.4562 -43.1515 -43.1515 -41.4205 -41.4205 -41.4203 -41.4203 -22.8511 -22.8511 -15.2110 -15.2110 -15.1856 -15.1853 2.2107 2.2107 8.8104 8.8104 9.6716 9.6716 9.8953 9.9215 11.8724 11.8732 11.8732 11.8775 13.4199 13.4199 13.7894 13.8226 13.8226 13.8375 15.0599 15.0599 15.1587 15.2156 16.1065 16.1065 17.5853 17.5853 k = 0.2391 0.1381 0.0976 ( 4507 PWs) bands (ev): -77.4523 -77.4523 -48.4561 -48.4561 -43.1515 -43.1515 -41.4205 -41.4205 -41.4203 -41.4203 -22.8517 -22.8517 -15.2136 -15.2136 -15.1862 -15.1859 2.2574 2.2574 8.7612 8.7612 9.6887 9.6887 9.9168 9.9435 11.8964 11.8978 11.8978 11.9028 13.3709 13.3709 13.7435 13.7768 13.7768 13.7946 15.0221 15.0221 15.1270 15.1820 16.0204 16.0204 17.6232 17.6232 k = 0.2500 0.1443 0.1021 ( 4510 PWs) bands (ev): -77.4524 -77.4524 -48.4560 -48.4560 -43.1515 -43.1515 -41.4205 -41.4205 -41.4203 -41.4203 -22.8522 -22.8522 -15.2162 -15.2162 -15.1868 -15.1865 2.3050 2.3050 8.7116 8.7116 9.7062 9.7062 9.9386 9.9657 11.9215 11.9236 11.9236 11.9292 13.3220 13.3220 13.6962 13.7298 13.7298 13.7501 14.9867 14.9867 15.0982 15.1515 15.9289 15.9289 17.6558 17.6558 k = 0.2609 0.1506 0.1065 ( 4507 PWs) bands (ev): -77.4523 -77.4523 -48.4560 -48.4560 -43.1515 -43.1515 -41.4205 -41.4205 -41.4203 -41.4203 -22.8527 -22.8527 -15.2188 -15.2188 -15.1874 -15.1870 2.3534 2.3534 8.6618 8.6618 9.7242 9.7242 9.9606 9.9879 11.9476 11.9504 11.9504 11.9568 13.2746 13.2746 13.6483 13.6823 13.6823 13.7049 14.9534 14.9534 15.0723 15.1238 15.8341 15.8341 17.6823 17.6823 k = 0.2717 0.1569 0.1109 ( 4513 PWs) bands (ev): -77.4524 -77.4524 -48.4559 -48.4559 -43.1515 -43.1515 -41.4206 -41.4206 -41.4203 -41.4203 -22.8533 -22.8533 -15.2214 -15.2214 -15.1880 -15.1876 2.4024 2.4024 8.6120 8.6120 9.7422 9.7422 9.9826 10.0100 11.9742 11.9779 11.9779 11.9851 13.2280 13.2280 13.5993 13.6337 13.6337 13.6584 14.9217 14.9217 15.0488 15.0985 15.7375 15.7375 17.7024 17.7024 k = 0.2826 0.1632 0.1154 ( 4513 PWs) bands (ev): -77.4524 -77.4524 -48.4558 -48.4558 -43.1516 -43.1516 -41.4206 -41.4206 -41.4203 -41.4203 -22.8538 -22.8538 -15.2239 -15.2239 -15.1885 -15.1882 2.4517 2.4517 8.5624 8.5624 9.7604 9.7604 10.0046 10.0321 12.0017 12.0063 12.0063 12.0144 13.1829 13.1829 13.5503 13.5853 13.5853 13.6118 14.8913 14.8913 15.0276 15.0756 15.6406 15.6406 17.7168 17.7168 k = 0.2935 0.1694 0.1198 ( 4519 PWs) bands (ev): -77.4526 -77.4526 -48.4557 -48.4557 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4203 -22.8543 -22.8543 -15.2264 -15.2264 -15.1891 -15.1888 2.5012 2.5012 8.5132 8.5132 9.7786 9.7786 10.0265 10.0538 12.0300 12.0356 12.0356 12.0446 13.1381 13.1381 13.5010 13.5368 13.5368 13.5647 14.8619 14.8619 15.0088 15.0549 15.5445 15.5445 17.7257 17.7257 k = 0.3043 0.1757 0.1242 ( 4507 PWs) bands (ev): -77.4523 -77.4523 -48.4557 -48.4557 -43.1515 -43.1515 -41.4206 -41.4206 -41.4203 -41.4203 -22.8548 -22.8548 -15.2289 -15.2289 -15.1897 -15.1894 2.5506 2.5506 8.4648 8.4648 9.7967 9.7967 10.0482 10.0753 12.0594 12.0662 12.0662 12.0760 13.0962 13.0962 13.4526 13.4892 13.4892 13.5183 14.8330 14.8330 14.9919 15.0363 15.4508 15.4508 17.7307 17.7307 k = 0.3152 0.1820 0.1287 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4556 -48.4556 -43.1515 -43.1515 -41.4206 -41.4206 -41.4202 -41.4202 -22.8553 -22.8553 -15.2313 -15.2313 -15.1902 -15.1899 2.5996 2.5996 8.4171 8.4171 9.8145 9.8145 10.0697 10.0963 12.0893 12.0973 12.0973 12.1081 13.0562 13.0562 13.4043 13.4418 13.4418 13.4718 14.8042 14.8042 14.9772 15.0197 15.3603 15.3603 17.7322 17.7322 k = 0.3261 0.1883 0.1331 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4555 -48.4555 -43.1515 -43.1515 -41.4206 -41.4206 -41.4202 -41.4202 -22.8558 -22.8558 -15.2336 -15.2336 -15.1907 -15.1904 2.6481 2.6481 8.3705 8.3705 9.8319 9.8319 10.0906 10.1166 12.1193 12.1285 12.1285 12.1404 13.0175 13.0175 13.3563 13.3948 13.3948 13.4254 14.7743 14.7743 14.9637 15.0044 15.2743 15.2743 17.7311 17.7311 k = 0.3370 0.1945 0.1376 ( 4477 PWs) bands (ev): -77.4515 -77.4515 -48.4554 -48.4554 -43.1513 -43.1513 -41.4205 -41.4205 -41.4202 -41.4202 -22.8562 -22.8562 -15.2359 -15.2359 -15.1912 -15.1910 2.6957 2.6957 8.3252 8.3252 9.8489 9.8489 10.1111 10.1364 12.1505 12.1612 12.1612 12.1739 12.9813 12.9813 13.3096 13.3492 13.3492 13.3800 14.7431 14.7431 14.9518 14.9907 15.1941 15.1941 17.7285 17.7285 k = 0.3478 0.2008 0.1420 ( 4489 PWs) bands (ev): -77.4518 -77.4518 -48.4554 -48.4554 -43.1515 -43.1515 -41.4206 -41.4206 -41.4202 -41.4202 -22.8567 -22.8567 -15.2380 -15.2380 -15.1917 -15.1915 2.7422 2.7422 8.2812 8.2812 9.8652 9.8652 10.1308 10.1552 12.1805 12.1926 12.1926 12.2065 12.9466 12.9466 13.2626 13.3033 13.3033 13.3341 14.7094 14.7094 14.9410 14.9780 15.1208 15.1208 17.7241 17.7241 k = 0.3587 0.2071 0.1464 ( 4501 PWs) bands (ev): -77.4522 -77.4522 -48.4553 -48.4553 -43.1516 -43.1516 -41.4207 -41.4207 -41.4203 -41.4203 -22.8571 -22.8571 -15.2401 -15.2401 -15.1922 -15.1920 2.7873 2.7873 8.2389 8.2389 9.8808 9.8808 10.1497 10.1731 12.2106 12.2242 12.2242 12.2391 12.9137 12.9137 13.2170 13.2589 13.2589 13.2894 14.6728 14.6728 14.9314 14.9664 15.0555 15.0555 17.7189 17.7189 k = 0.3696 0.2134 0.1509 ( 4501 PWs) bands (ev): -77.4522 -77.4522 -48.4553 -48.4553 -43.1516 -43.1516 -41.4207 -41.4207 -41.4203 -41.4203 -22.8575 -22.8575 -15.2420 -15.2420 -15.1926 -15.1924 2.8306 2.8306 8.1985 8.1985 9.8958 9.8958 10.1679 10.1902 12.2412 12.2561 12.2561 12.2722 12.8835 12.8835 13.1734 13.2163 13.2163 13.2462 14.6333 14.6333 14.9231 14.9560 14.9989 14.9989 17.7132 17.7132 k = 0.3804 0.2196 0.1553 ( 4495 PWs) bands (ev): -77.4520 -77.4520 -48.4552 -48.4552 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4203 -22.8579 -22.8579 -15.2438 -15.2438 -15.1930 -15.1928 2.8720 2.8720 8.1602 8.1602 9.9099 9.9099 10.1853 10.2062 12.2717 12.2880 12.2880 12.3051 12.8564 12.8564 13.1315 13.1753 13.1753 13.2044 14.5910 14.5910 14.9159 14.9467 14.9512 14.9512 17.7078 17.7078 k = 0.3913 0.2259 0.1597 ( 4500 PWs) bands (ev): -77.4522 -77.4522 -48.4552 -48.4552 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8583 -22.8583 -15.2455 -15.2455 -15.1934 -15.1932 2.9110 2.9110 8.1242 8.1242 9.9231 9.9231 10.2015 10.2211 12.3015 12.3190 12.3190 12.3372 12.8307 12.8307 13.0910 13.1357 13.1357 13.1635 14.5469 14.5469 14.9096 14.9116 14.9116 14.9381 17.7019 17.7019 k = 0.4022 0.2322 0.1642 ( 4500 PWs) bands (ev): -77.4522 -77.4522 -48.4551 -48.4551 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8586 -22.8586 -15.2471 -15.2471 -15.1938 -15.1936 2.9475 2.9475 8.0907 8.0907 9.9354 9.9354 10.2167 10.2347 12.3313 12.3497 12.3497 12.3689 12.8077 12.8077 13.0526 13.0979 13.0979 13.1243 14.5024 14.5024 14.8791 14.8791 14.9043 14.9305 17.6963 17.6963 k = 0.4130 0.2385 0.1686 ( 4494 PWs) bands (ev): -77.4520 -77.4520 -48.4551 -48.4551 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8589 -22.8589 -15.2485 -15.2485 -15.1941 -15.1939 2.9810 2.9810 8.0601 8.0601 9.9465 9.9465 10.2307 10.2470 12.3606 12.3796 12.3796 12.3997 12.7879 12.7879 13.0166 13.0620 13.0620 13.0867 14.4591 14.4591 14.8526 14.8526 14.8999 14.9236 17.6914 17.6914 k = 0.4239 0.2447 0.1731 ( 4494 PWs) bands (ev): -77.4521 -77.4521 -48.4550 -48.4550 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8591 -22.8591 -15.2498 -15.2498 -15.1944 -15.1942 3.0114 3.0114 8.0324 8.0324 9.9565 9.9565 10.2434 10.2579 12.3890 12.4081 12.4081 12.4291 12.7700 12.7700 12.9830 13.0281 13.0281 13.0507 14.4182 14.4182 14.8310 14.8310 14.8963 14.9174 17.6866 17.6866 k = 0.4348 0.2510 0.1775 ( 4494 PWs) bands (ev): -77.4521 -77.4521 -48.4550 -48.4550 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8594 -22.8594 -15.2509 -15.2509 -15.1946 -15.1945 3.0383 3.0383 8.0080 8.0080 9.9653 9.9653 10.2547 10.2674 12.4164 12.4350 12.4350 12.4565 12.7549 12.7549 12.9523 12.9965 12.9965 13.0165 14.3810 14.3810 14.8135 14.8135 14.8935 14.9118 17.6823 17.6823 k = 0.4457 0.2573 0.1819 ( 4485 PWs) bands (ev): -77.4518 -77.4518 -48.4550 -48.4550 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8595 -22.8595 -15.2518 -15.2518 -15.1948 -15.1947 3.0615 3.0615 7.9869 7.9869 9.9729 9.9729 10.2646 10.2753 12.4427 12.4600 12.4600 12.4815 12.7430 12.7430 12.9259 12.9680 12.9680 12.9850 14.3483 14.3483 14.7994 14.7994 14.8915 14.9069 17.6790 17.6790 k = 0.4565 0.2636 0.1864 ( 4491 PWs) bands (ev): -77.4520 -77.4520 -48.4550 -48.4550 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8597 -22.8597 -15.2526 -15.2526 -15.1950 -15.1949 3.0808 3.0808 7.9694 7.9694 9.9791 9.9791 10.2730 10.2817 12.4667 12.4815 12.4815 12.5025 12.7334 12.7334 12.9029 12.9420 12.9420 12.9552 14.3207 14.3207 14.7882 14.7882 14.8901 14.9026 17.6759 17.6759 k = 0.4674 0.2698 0.1908 ( 4491 PWs) bands (ev): -77.4520 -77.4520 -48.4549 -48.4549 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8598 -22.8598 -15.2532 -15.2532 -15.1951 -15.1951 3.0961 3.0961 7.9557 7.9557 9.9840 9.9840 10.2799 10.2864 12.4888 12.4998 12.4998 12.5193 12.7266 12.7266 12.8857 12.9202 12.9202 12.9287 14.2988 14.2988 14.7798 14.7798 14.8894 14.8989 17.6735 17.6735 k = 0.4783 0.2761 0.1952 ( 4488 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1516 -43.1516 -41.4207 -41.4207 -41.4204 -41.4204 -22.8599 -22.8599 -15.2536 -15.2536 -15.1952 -15.1952 3.1071 3.1071 7.9457 7.9457 9.9876 9.9876 10.2851 10.2895 12.5078 12.5137 12.5137 12.5303 12.7219 12.7219 12.8756 12.9037 12.9037 12.9065 14.2830 14.2830 14.7739 14.7739 14.8895 14.8958 17.6715 17.6715 k = 0.4891 0.2824 0.1997 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4206 -41.4206 -41.4204 -41.4204 -22.8600 -22.8600 -15.2539 -15.2539 -15.1953 -15.1952 3.1137 3.1137 7.9398 7.9398 9.9898 9.9898 10.2888 10.2910 12.5228 12.5230 12.5230 12.5349 12.7198 12.7198 12.8732 12.8895 12.8935 12.8935 14.2734 14.2734 14.7704 14.7704 14.8901 14.8933 17.6707 17.6707 k = 0.5000 0.2887 0.2041 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4206 -41.4206 -41.4204 -41.4204 -22.8600 -22.8600 -15.2539 -15.2539 -15.1953 -15.1953 3.1159 3.1159 7.9378 7.9378 9.9905 9.9905 10.2907 10.2907 12.5259 12.5259 12.5321 12.5321 12.7192 12.7192 12.8778 12.8778 12.8898 12.8898 14.2702 14.2702 14.7693 14.7693 14.8914 14.8914 17.6704 17.6704 k = 0.5000 0.2887 0.2041 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4206 -41.4206 -41.4204 -41.4204 -22.8600 -22.8600 -15.2539 -15.2539 -15.1953 -15.1953 3.1159 3.1159 7.9378 7.9378 9.9905 9.9905 10.2907 10.2907 12.5259 12.5259 12.5321 12.5321 12.7192 12.7192 12.8778 12.8778 12.8898 12.8898 14.2702 14.2702 14.7693 14.7693 14.8914 14.8914 17.6704 17.6704 k = 0.5039 0.2774 0.2105 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4206 -41.4204 -41.4204 -22.8602 -22.8598 -15.2546 -15.2533 -15.1953 -15.1953 3.1125 3.1211 7.9361 7.9415 9.9872 9.9911 10.2893 10.2893 12.5171 12.5266 12.5327 12.5335 12.6981 12.7378 12.8754 12.8773 12.8828 12.9055 14.2576 14.2845 14.7584 14.7809 14.8918 14.8919 17.6710 17.6777 k = 0.5078 0.2661 0.2169 ( 4482 PWs) bands (ev): -77.4518 -77.4518 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8605 -22.8595 -15.2553 -15.2526 -15.1955 -15.1955 3.1107 3.1279 7.9366 7.9474 9.9810 9.9890 10.2850 10.2853 12.5029 12.5205 12.5330 12.5337 12.6778 12.7502 12.8712 12.8764 12.8853 12.9247 14.2468 14.3002 14.7485 14.7930 14.8929 14.8934 17.6795 17.6928 k = 0.5117 0.2548 0.2233 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8608 -22.8593 -15.2560 -15.2519 -15.1958 -15.1957 3.1106 3.1364 7.9392 7.9553 9.9714 9.9839 10.2785 10.2795 12.4850 12.5082 12.5324 12.5331 12.6610 12.7543 12.8716 12.8758 12.8941 12.9467 14.2379 14.3169 14.7399 14.8051 14.8947 14.8964 17.6956 17.7158 k = 0.5156 0.2436 0.2296 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8611 -22.8592 -15.2566 -15.2511 -15.1961 -15.1961 3.1122 3.1465 7.9440 7.9653 9.9577 9.9750 10.2706 10.2727 12.4634 12.4882 12.5304 12.5329 12.6481 12.7511 12.8726 12.8752 12.9103 12.9701 14.2307 14.3344 14.7326 14.8162 14.8973 14.9016 17.7189 17.7465 k = 0.5195 0.2323 0.2360 ( 4491 PWs) bands (ev): -77.4520 -77.4520 -48.4549 -48.4549 -43.1516 -43.1516 -41.4208 -41.4207 -41.4204 -41.4204 -22.8614 -22.8590 -15.2573 -15.2504 -15.1966 -15.1966 3.1154 3.1582 7.9508 7.9773 9.9389 9.9617 10.2624 10.2660 12.4382 12.4611 12.5274 12.5315 12.6379 12.7431 12.8732 12.8746 12.9310 12.9937 14.2253 14.3518 14.7267 14.8257 14.9008 14.9097 17.7482 17.7841 k = 0.5234 0.2210 0.2424 ( 4493 PWs) bands (ev): -77.4520 -77.4520 -48.4549 -48.4549 -43.1517 -43.1516 -41.4208 -41.4207 -41.4205 -41.4204 -22.8617 -22.8589 -15.2579 -15.2497 -15.1972 -15.1971 3.1202 3.1714 7.9597 7.9912 9.9147 9.9432 10.2551 10.2607 12.4114 12.4300 12.5241 12.5296 12.6301 12.7334 12.8739 12.8746 12.9542 13.0177 14.2214 14.3688 14.7224 14.8328 14.9056 14.9215 17.7812 17.8279 k = 0.5273 0.2097 0.2488 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8620 -22.8587 -15.2585 -15.2490 -15.1980 -15.1977 3.1267 3.1861 7.9706 8.0069 9.8845 9.9189 10.2500 10.2575 12.3824 12.3955 12.5206 12.5276 12.6235 12.7228 12.8753 12.8755 12.9778 13.0414 14.2189 14.3846 14.7198 14.8376 14.9119 14.9369 17.8110 17.8740 k = 0.5312 0.1985 0.2552 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8624 -22.8586 -15.2592 -15.2482 -15.1988 -15.1984 3.1346 3.2022 7.9834 8.0243 9.8484 9.8887 10.2476 10.2570 12.3517 12.3590 12.5163 12.5249 12.6171 12.7113 12.8770 12.8772 13.0007 13.0642 14.2175 14.3985 14.7187 14.8403 14.9202 14.9554 17.8242 17.9084 k = 0.5352 0.1872 0.2615 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8627 -22.8586 -15.2598 -15.2475 -15.1997 -15.1992 3.1441 3.2196 7.9981 8.0433 9.8067 9.8526 10.2483 10.2592 12.3193 12.3207 12.5110 12.5211 12.6101 12.6989 12.8793 12.8797 13.0221 13.0853 14.2169 14.4099 14.7189 14.8414 14.9310 14.9765 17.8133 17.9110 k = 0.5391 0.1759 0.2679 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8630 -22.8585 -15.2604 -15.2467 -15.2007 -15.2000 3.1549 3.2383 8.0145 8.0638 9.7601 9.8116 10.2519 10.2641 12.2817 12.2861 12.5052 12.5168 12.6029 12.6865 12.8824 12.8829 13.0422 13.1054 14.2169 14.4185 14.7200 14.8415 14.9447 14.9997 17.7862 17.8929 k = 0.5430 0.1646 0.2743 ( 4487 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4209 -41.4207 -41.4205 -41.4204 -22.8634 -22.8584 -15.2609 -15.2460 -15.2018 -15.2008 3.1671 3.2581 8.0326 8.0854 9.7094 9.7665 10.2582 10.2715 12.2419 12.2518 12.4983 12.5112 12.5951 12.6740 12.8864 12.8869 13.0603 13.1237 14.2173 14.4241 14.7217 14.8409 14.9616 15.0244 17.7500 17.8663 k = 0.5469 0.1534 0.2807 ( 4485 PWs) bands (ev): -77.4518 -77.4518 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4205 -41.4204 -22.8637 -22.8584 -15.2615 -15.2452 -15.2030 -15.2018 3.1806 3.2790 8.0521 8.1080 9.6555 9.7182 10.2670 10.2810 12.2017 12.2168 12.4907 12.5048 12.5868 12.6612 12.8917 12.8921 13.0763 13.1402 14.2177 14.4268 14.7235 14.8398 14.9821 15.0506 17.7083 17.8349 k = 0.5508 0.1421 0.2870 ( 4485 PWs) bands (ev): -77.4518 -77.4518 -48.4547 -48.4547 -43.1517 -43.1515 -41.4209 -41.4207 -41.4205 -41.4204 -22.8641 -22.8584 -15.2621 -15.2445 -15.2042 -15.2027 3.1952 3.3008 8.0727 8.1312 9.5992 9.6678 10.2779 10.2925 12.1615 12.1812 12.4822 12.4975 12.5777 12.6482 12.8977 12.8980 13.0902 13.1548 14.2181 14.4269 14.7250 14.8384 15.0059 15.0778 17.6625 17.7997 k = 0.5547 0.1308 0.2934 ( 4479 PWs) bands (ev): -77.4517 -77.4517 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8644 -22.8584 -15.2626 -15.2437 -15.2055 -15.2037 3.2109 3.3235 8.0943 8.1547 9.5415 9.6164 10.2907 10.3057 12.1213 12.1453 12.4733 12.4896 12.5683 12.6355 12.9053 12.9053 13.1018 13.1675 14.2183 14.4246 14.7260 14.8369 15.0329 15.1058 17.6135 17.7613 k = 0.5586 0.1195 0.2998 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8648 -22.8584 -15.2632 -15.2429 -15.2069 -15.2047 3.2276 3.3468 8.1165 8.1780 9.4832 9.5649 10.3049 10.3202 12.0812 12.1089 12.4634 12.4806 12.5580 12.6224 12.9133 12.9137 13.1109 13.1777 14.2180 14.4204 14.7265 14.8354 15.0624 15.1343 17.5615 17.7197 k = 0.5625 0.1083 0.3062 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8651 -22.8585 -15.2637 -15.2422 -15.2084 -15.2057 3.2451 3.3706 8.1388 8.2005 9.4252 9.5145 10.3204 10.3360 12.0414 12.0724 12.4529 12.4707 12.5471 12.6095 12.9222 12.9230 13.1178 13.1862 14.2173 14.4146 14.7265 14.8340 15.0941 15.1632 17.5073 17.6750 k = 0.5664 0.0970 0.3126 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8654 -22.8585 -15.2642 -15.2414 -15.2099 -15.2067 3.2633 3.3948 8.1607 8.2215 9.3687 9.4664 10.3371 10.3528 12.0026 12.0364 12.4420 12.4604 12.5359 12.5969 12.9320 12.9333 13.1229 13.1932 14.2164 14.4078 14.7263 14.8330 15.1273 15.1922 17.4512 17.6276 k = 0.5703 0.0857 0.3189 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8657 -22.8586 -15.2647 -15.2407 -15.2114 -15.2077 3.2820 3.4193 8.1814 8.2402 9.3146 9.4217 10.3546 10.3704 11.9640 12.0001 12.4303 12.4489 12.5239 12.5843 12.9420 12.9439 13.1254 13.1979 14.2150 14.4001 14.7260 14.8324 15.1612 15.2208 17.3932 17.5773 k = 0.5742 0.0744 0.3253 ( 4477 PWs) bands (ev): -77.4516 -77.4516 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8660 -22.8587 -15.2652 -15.2399 -15.2130 -15.2086 3.3012 3.4438 8.2001 8.2557 9.2644 9.3817 10.3729 10.3887 11.9267 11.9646 12.4183 12.4370 12.5120 12.5726 12.9527 12.9552 13.1264 13.2014 14.2133 14.3919 14.7260 14.8324 15.1955 15.2490 17.3342 17.5250 k = 0.5781 0.0631 0.3317 ( 4471 PWs) bands (ev): -77.4514 -77.4514 -48.4545 -48.4544 -43.1517 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8663 -22.8587 -15.2656 -15.2392 -15.2145 -15.2096 3.3207 3.4681 8.2158 8.2670 9.2192 9.3478 10.3918 10.4076 11.8905 11.9298 12.4061 12.4247 12.4998 12.5612 12.9640 12.9672 13.1254 13.2032 14.2114 14.3835 14.7265 14.8333 15.2296 15.2763 17.2743 17.4710 k = 0.5820 0.0519 0.3381 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8666 -22.8588 -15.2661 -15.2385 -15.2161 -15.2105 3.3403 3.4921 8.2272 8.2729 9.1805 9.3211 10.4110 10.4268 11.8552 11.8955 12.3931 12.4116 12.4871 12.5498 12.9755 12.9795 13.1222 13.2032 14.2093 14.3750 14.7278 14.8350 15.2625 15.3021 17.2137 17.4152 k = 0.5859 0.0406 0.3445 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8668 -22.8589 -15.2665 -15.2378 -15.2176 -15.2113 3.3598 3.5156 8.2333 8.2729 9.1498 9.3028 10.4306 10.4461 11.8214 11.8622 12.3800 12.3983 12.4745 12.5390 12.9869 12.9916 13.1177 13.2020 14.2071 14.3666 14.7301 14.8379 15.2941 15.3263 17.1533 17.3589 k = 0.5898 0.0293 0.3508 ( 4472 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8671 -22.8590 -15.2668 -15.2372 -15.2192 -15.2121 3.3791 3.5384 8.2329 8.2663 9.1284 9.2935 10.4502 10.4656 11.7891 11.8301 12.3667 12.3846 12.4619 12.5288 12.9985 13.0040 13.1119 13.1998 14.2051 14.3586 14.7338 14.8421 15.3238 15.3484 17.0937 17.3026 k = 0.5938 0.0180 0.3572 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8673 -22.8592 -15.2672 -15.2366 -15.2206 -15.2129 3.3979 3.5602 8.2253 8.2529 9.1172 9.2936 10.4698 10.4848 11.7584 11.7992 12.3529 12.3706 12.4486 12.5179 13.0092 13.0155 13.1045 13.1962 14.2031 14.3509 14.7390 14.8478 15.3506 15.3677 17.0351 17.2468 k = 0.5977 0.0068 0.3636 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8675 -22.8593 -15.2675 -15.2361 -15.2219 -15.2136 3.4161 3.5808 8.2106 8.2332 9.1164 9.3029 10.4892 10.5038 11.7299 11.7702 12.3395 12.3568 12.4361 12.5082 13.0198 13.0269 13.0972 13.1928 14.2017 14.3442 14.7462 14.8552 15.3743 15.3841 16.9788 17.1927 k = 0.6016-0.0045 0.3700 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8676 -22.8594 -15.2678 -15.2357 -15.2232 -15.2142 3.4335 3.6001 8.1892 8.2079 9.1259 9.3208 10.5082 10.5224 11.7034 11.7430 12.3259 12.3428 12.4234 12.4983 13.0297 13.0376 13.0895 13.1889 14.2008 14.3383 14.7555 14.8645 15.3943 15.3970 16.9255 17.1410 k = 0.6055-0.0158 0.3764 ( 4473 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8678 -22.8595 -15.2680 -15.2354 -15.2242 -15.2148 3.4498 3.6177 8.1619 8.1780 9.1447 9.3464 10.5267 10.5404 11.6792 11.7177 12.3122 12.3288 12.4106 12.4881 13.0387 13.0474 13.0821 13.1852 14.2005 14.3332 14.7671 14.8758 15.4060 15.4097 16.8757 17.0923 k = 0.6094-0.0271 0.3827 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8679 -22.8597 -15.2682 -15.2353 -15.2250 -15.2153 3.4649 3.6334 8.1302 8.1445 9.1717 9.3787 10.5446 10.5577 11.6572 11.6946 12.2984 12.3147 12.3975 12.4775 13.0470 13.0565 13.0745 13.1810 14.2010 14.3292 14.7813 14.8893 15.4106 15.4200 16.8304 17.0474 k = 0.6133-0.0383 0.3891 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8680 -22.8598 -15.2684 -15.2355 -15.2254 -15.2157 3.4785 3.6471 8.0953 8.1085 9.2057 9.4166 10.5616 10.5741 11.6377 11.6738 12.2847 12.3008 12.3844 12.4664 13.0543 13.0646 13.0680 13.1775 14.2022 14.3262 14.7983 14.9052 15.4108 15.4249 16.7904 17.0071 k = 0.6172-0.0496 0.3955 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8680 -22.8599 -15.2684 -15.2359 -15.2256 -15.2161 3.4904 3.6585 8.0585 8.0712 9.2455 9.4591 10.5777 10.5895 11.6208 11.6553 12.2711 12.2869 12.3712 12.4548 13.0600 13.0627 13.0716 13.1741 14.2043 14.3243 14.8182 14.9233 15.4065 15.4241 16.7563 16.9719 k = 0.6211-0.0609 0.4019 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8600 -15.2684 -15.2365 -15.2255 -15.2164 3.5005 3.6673 8.0210 8.0334 9.2900 9.5054 10.5927 10.6037 11.6064 11.6395 12.2577 12.2732 12.3577 12.4424 13.0570 13.0663 13.0776 13.1713 14.2074 14.3236 14.8412 14.9438 15.3980 15.4174 16.7284 16.9420 k = 0.6250-0.0722 0.4082 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.6250-0.0722 0.4082 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.6184-0.0684 0.4190 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8601 -15.2684 -15.2372 -15.2253 -15.2166 3.5087 3.6738 7.9855 7.9976 9.3356 9.5507 10.5940 10.6312 11.5943 11.6258 12.2441 12.2596 12.3442 12.4290 13.0508 13.0692 13.0851 13.1701 14.2111 14.3231 14.8650 14.9667 15.3849 15.4118 16.6993 16.9122 k = 0.6118-0.0646 0.4297 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8601 -15.2684 -15.2372 -15.2253 -15.2167 3.5092 3.6748 7.9908 8.0027 9.3276 9.5391 10.5801 10.6518 11.5932 11.6248 12.2443 12.2606 12.3444 12.4278 13.0433 13.0658 13.0905 13.1726 14.2111 14.3214 14.8585 14.9668 15.3859 15.4269 16.6774 16.8948 k = 0.6053-0.0608 0.4405 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4542 -48.4542 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8681 -22.8601 -15.2684 -15.2371 -15.2254 -15.2168 3.5101 3.6766 7.9997 8.0113 9.3143 9.5201 10.5684 10.6741 11.5912 11.6231 12.2446 12.2623 12.3443 12.4256 13.0337 13.0607 13.0964 13.1760 14.2109 14.3184 14.8488 14.9663 15.3916 15.4471 16.6450 16.8662 k = 0.5987-0.0570 0.4512 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8682 -22.8601 -15.2683 -15.2370 -15.2255 -15.2170 3.5113 3.6791 8.0121 8.0232 9.2960 9.4942 10.5591 10.6976 11.5887 11.6209 12.2454 12.2648 12.3446 12.4231 13.0231 13.0548 13.1027 13.1807 14.2109 14.3146 14.8370 14.9647 15.4029 15.4715 16.6061 16.8292 k = 0.5921-0.0532 0.4620 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8682 -22.8600 -15.2683 -15.2369 -15.2257 -15.2173 3.5129 3.6822 8.0280 8.0385 9.2729 9.4619 10.5522 10.7216 11.5857 11.6181 12.2462 12.2675 12.3451 12.4201 13.0116 13.0477 13.1083 13.1858 14.2110 14.3100 14.8242 14.9617 15.4194 15.4992 16.5632 16.7861 k = 0.5855-0.0494 0.4727 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8683 -22.8600 -15.2683 -15.2368 -15.2258 -15.2176 3.5148 3.6858 8.0473 8.0571 9.2452 9.4239 10.5473 10.7457 11.5822 11.6149 12.2473 12.2709 12.3455 12.4163 12.9998 13.0399 13.1133 13.1909 14.2111 14.3046 14.8109 14.9574 15.4404 15.5295 16.5179 16.7390 k = 0.5789-0.0456 0.4835 ( 4475 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8684 -22.8600 -15.2683 -15.2366 -15.2260 -15.2179 3.5169 3.6900 8.0701 8.0788 9.2132 9.3808 10.5441 10.7694 11.5783 11.6113 12.2486 12.2747 12.3460 12.4121 12.9879 13.0320 13.1178 13.1960 14.2113 14.2986 14.7978 14.9523 15.4651 15.5619 16.4716 16.6896 k = 0.5724-0.0418 0.4942 ( 4477 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8685 -22.8600 -15.2682 -15.2364 -15.2262 -15.2183 3.5193 3.6945 8.0962 8.1038 9.1773 9.3333 10.5425 10.7923 11.5739 11.6071 12.2502 12.2790 12.3465 12.4074 12.9763 13.0242 13.1216 13.2006 14.2112 14.2917 14.7853 14.9467 15.4929 15.5960 16.4249 16.6388 k = 0.5658-0.0380 0.5049 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8686 -22.8600 -15.2682 -15.2362 -15.2264 -15.2188 3.5219 3.6993 8.1254 8.1319 9.1377 9.2823 10.5419 10.8141 11.5695 11.6028 12.2517 12.2835 12.3470 12.4024 12.9646 13.0163 13.1247 13.2049 14.2114 14.2848 14.7735 14.9408 15.5231 15.6313 16.3786 16.5873 k = 0.5592-0.0342 0.5157 ( 4473 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8686 -22.8599 -15.2682 -15.2360 -15.2265 -15.2193 3.5246 3.7043 8.1576 8.1633 9.0948 9.2286 10.5423 10.8344 11.5653 11.5985 12.2541 12.2891 12.3479 12.3973 12.9541 13.0092 13.1279 13.2091 14.2121 14.2779 14.7629 14.9352 15.5551 15.6676 16.3335 16.5359 k = 0.5526-0.0304 0.5264 ( 4470 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8687 -22.8599 -15.2682 -15.2358 -15.2267 -15.2197 3.5274 3.7094 8.1918 8.1983 9.0488 9.1730 10.5432 10.8530 11.5610 11.5941 12.2566 12.2948 12.3485 12.3919 12.9438 13.0021 13.1303 13.2128 14.2127 14.2709 14.7533 14.9298 15.5883 15.7043 16.2900 16.4849 k = 0.5461-0.0266 0.5372 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8688 -22.8599 -15.2682 -15.2355 -15.2268 -15.2203 3.5303 3.7144 8.2277 8.2369 8.9999 9.1164 10.5445 10.8697 11.5567 11.5896 12.2587 12.3006 12.3487 12.3861 12.9340 12.9953 13.1321 13.2157 14.2131 14.2638 14.7449 14.9249 15.6217 15.7405 16.2481 16.4342 k = 0.5395-0.0228 0.5479 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8689 -22.8599 -15.2682 -15.2353 -15.2269 -15.2208 3.5330 3.7192 8.2650 8.2791 8.9483 9.0598 10.5460 10.8843 11.5529 11.5855 12.2610 12.3066 12.3492 12.3806 12.9255 12.9894 13.1339 13.2185 14.2141 14.2572 14.7378 14.9206 15.6550 15.7760 16.2094 16.3848 k = 0.5329-0.0190 0.5587 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8599 -15.2682 -15.2351 -15.2270 -15.2213 3.5356 3.7238 8.3031 8.3244 8.8944 9.0046 10.5475 10.8966 11.5493 11.5818 12.2633 12.3127 12.3496 12.3752 12.9179 12.9841 13.1352 13.2208 14.2150 14.2510 14.7320 14.9171 15.6873 15.8096 16.1746 16.3371 k = 0.5263-0.0152 0.5694 ( 4473 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8690 -22.8599 -15.2683 -15.2348 -15.2271 -15.2217 3.5380 3.7278 8.3410 8.3727 8.8382 8.9523 10.5489 10.9067 11.5461 11.5784 12.2655 12.3190 12.3501 12.3699 12.9119 12.9799 13.1360 13.2225 14.2160 14.2451 14.7275 14.9143 15.7175 15.8399 16.1453 16.2919 k = 0.5197-0.0114 0.5801 ( 4481 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4211 -41.4207 -41.4206 -41.4205 -22.8691 -22.8599 -15.2683 -15.2346 -15.2272 -15.2221 3.5401 3.7312 8.3770 8.4236 8.7804 8.9050 10.5501 10.9145 11.5432 11.5754 12.2672 12.3252 12.3501 12.3644 12.9066 12.9761 13.1361 13.2233 14.2167 14.2398 14.7241 14.9122 15.7442 15.8652 16.1233 16.2501 k = 0.5132-0.0076 0.5909 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4541 -48.4541 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8691 -22.8599 -15.2683 -15.2345 -15.2272 -15.2224 3.5417 3.7338 8.4082 8.4766 8.7218 8.8657 10.5511 10.9200 11.5412 11.5732 12.2686 12.3312 12.3503 12.3594 12.9028 12.9734 13.1362 13.2239 14.2176 14.2357 14.7218 14.9108 15.7656 15.8839 16.1107 16.2141 k = 0.5066-0.0038 0.6016 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2344 -15.2273 -15.2226 3.5427 3.7355 8.4305 8.5302 8.6645 8.8387 10.5517 10.9232 11.5399 11.5718 12.2696 12.3360 12.3499 12.3553 12.9003 12.9715 13.1362 13.2242 14.2182 14.2329 14.7206 14.9100 15.7792 15.8949 16.1069 16.1882 k = 0.5000-0.0000 0.6124 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2343 -15.2273 -15.2227 3.5431 3.7362 8.4387 8.5668 8.6266 8.8289 10.5519 10.9243 11.5394 11.5713 12.2700 12.3382 12.3498 12.3535 12.8995 12.9710 13.1363 13.2244 14.2185 14.2319 14.7202 14.9097 15.7837 15.8985 16.1068 16.1784 k = 0.5000-0.0000 0.6124 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8599 -15.2683 -15.2343 -15.2273 -15.2227 3.5431 3.7362 8.4387 8.5668 8.6266 8.8289 10.5519 10.9243 11.5394 11.5713 12.2700 12.3382 12.3498 12.3535 12.8995 12.9710 13.1363 13.2244 14.2185 14.2319 14.7202 14.9097 15.7837 15.8985 16.1068 16.1784 k = 0.5000 0.0078 0.6013 ( 4488 PWs) bands (ev): -77.4518 -77.4518 -48.4541 -48.4541 -43.1519 -43.1516 -41.4211 -41.4207 -41.4207 -41.4206 -22.8692 -22.8598 -15.2683 -15.2343 -15.2274 -15.2226 3.5421 3.7350 8.4396 8.5670 8.6272 8.8290 10.5508 10.9220 11.5406 11.5728 12.2707 12.3388 12.3504 12.3547 12.9002 12.9712 13.1362 13.2244 14.2177 14.2332 14.7198 14.9092 15.7758 15.8917 16.1083 16.1972 k = 0.5000 0.0156 0.5903 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8691 -22.8598 -15.2683 -15.2341 -15.2275 -15.2223 3.5391 3.7316 8.4422 8.5670 8.6298 8.8295 10.5477 10.9151 11.5445 11.5775 12.2736 12.3409 12.3526 12.3591 12.9028 12.9726 13.1366 13.2248 14.2163 14.2368 14.7189 14.9076 15.7553 15.8707 16.1234 16.2415 k = 0.5000 0.0234 0.5793 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4211 -41.4207 -41.4206 -41.4205 -22.8691 -22.8598 -15.2683 -15.2339 -15.2278 -15.2218 3.5341 3.7259 8.4459 8.5651 8.6358 8.8308 10.5425 10.9039 11.5505 11.5848 12.2768 12.3432 12.3553 12.3649 12.9051 12.9729 13.1362 13.2245 14.2143 14.2412 14.7172 14.9050 15.7270 15.8384 16.1549 16.2970 k = 0.5000 0.0312 0.5682 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8690 -22.8597 -15.2682 -15.2336 -15.2280 -15.2212 3.5272 3.7181 8.4504 8.5600 8.6468 8.8334 10.5353 10.8885 11.5591 11.5951 12.2817 12.3468 12.3596 12.3736 12.9091 12.9742 13.1362 13.2245 14.2126 14.2467 14.7153 14.9016 15.6952 15.7998 16.1996 16.3597 k = 0.5000 0.0390 0.5572 ( 4470 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8689 -22.8597 -15.2682 -15.2334 -15.2281 -15.2205 3.5185 3.7081 8.4546 8.5513 8.6631 8.8382 10.5262 10.8695 11.5701 11.6081 12.2878 12.3508 12.3649 12.3843 12.9137 12.9755 13.1359 13.2242 14.2109 14.2527 14.7131 14.8976 15.6618 15.7586 16.2531 16.4272 k = 0.5000 0.0468 0.5462 ( 4466 PWs) bands (ev): -77.4513 -77.4513 -48.4541 -48.4541 -43.1517 -43.1514 -41.4210 -41.4206 -41.4205 -41.4204 -22.8688 -22.8596 -15.2681 -15.2333 -15.2279 -15.2198 3.5081 3.6961 8.4575 8.5395 8.6844 8.8464 10.5153 10.8471 11.5839 11.6240 12.2950 12.3556 12.3712 12.3966 12.9180 12.9762 13.1362 13.2243 14.2098 14.2596 14.7110 14.8931 15.6276 15.7166 16.3131 16.4985 k = 0.5000 0.0546 0.5351 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8687 -22.8596 -15.2680 -15.2334 -15.2275 -15.2190 3.4960 3.6822 8.4576 8.5255 8.7099 8.8589 10.5028 10.8220 11.5999 11.6422 12.3028 12.3604 12.3781 12.4098 12.9222 12.9764 13.1361 13.2239 14.2086 14.2668 14.7091 14.8883 15.5926 15.6744 16.3777 16.5726 k = 0.5000 0.0624 0.5241 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1518 -43.1515 -41.4210 -41.4206 -41.4206 -41.4205 -22.8685 -22.8595 -15.2678 -15.2337 -15.2268 -15.2182 3.4825 3.6665 8.4536 8.5101 8.7394 8.8769 10.4887 10.7945 11.6185 11.6630 12.3116 12.3664 12.3863 12.4243 12.9260 12.9762 13.1365 13.2238 14.2078 14.2747 14.7077 14.8835 15.5574 15.6329 16.4465 16.6492 k = 0.5000 0.0702 0.5131 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4542 -48.4542 -43.1518 -43.1515 -41.4211 -41.4207 -41.4206 -41.4205 -22.8684 -22.8594 -15.2677 -15.2341 -15.2259 -15.2174 3.4676 3.6491 8.4443 8.4941 8.7727 8.9008 10.4734 10.7652 11.6397 11.6860 12.3208 12.3730 12.3953 12.4394 12.9288 12.9750 13.1375 13.2239 14.2074 14.2834 14.7068 14.8789 15.5218 15.5921 16.5186 16.7276 k = 0.5000 0.0780 0.5020 ( 4484 PWs) bands (ev): -77.4517 -77.4517 -48.4542 -48.4542 -43.1518 -43.1516 -41.4211 -41.4207 -41.4206 -41.4205 -22.8682 -22.8593 -15.2675 -15.2346 -15.2248 -15.2165 3.4516 3.6303 8.4296 8.4778 8.8095 8.9308 10.4570 10.7346 11.6632 11.7112 12.3307 12.3798 12.4052 12.4551 12.9307 12.9730 13.1389 13.2241 14.2072 14.2926 14.7066 14.8746 15.4857 15.5520 16.5936 16.8077 k = 0.5000 0.0858 0.4910 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4543 -48.4543 -43.1517 -43.1515 -41.4210 -41.4206 -41.4205 -41.4205 -22.8680 -22.8592 -15.2673 -15.2352 -15.2236 -15.2156 3.4345 3.6100 8.4103 8.4607 8.8498 8.9665 10.4398 10.7030 11.6892 11.7385 12.3415 12.3879 12.4163 12.4715 12.9316 12.9703 13.1413 13.2250 14.2076 14.3027 14.7071 14.8710 15.4493 15.5130 16.6709 16.8888 k = 0.5000 0.0936 0.4800 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4206 -41.4205 -41.4205 -22.8677 -22.8591 -15.2670 -15.2358 -15.2223 -15.2147 3.4166 3.5886 8.3878 8.4420 8.8936 9.0075 10.4219 10.6709 11.7172 11.7674 12.3523 12.3962 12.4277 12.4878 12.9307 12.9661 13.1434 13.2252 14.2080 14.3131 14.7080 14.8679 15.4121 15.4746 16.7497 16.9703 k = 0.5000 0.1014 0.4689 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1517 -43.1515 -41.4210 -41.4206 -41.4205 -41.4205 -22.8675 -22.8590 -15.2668 -15.2365 -15.2208 -15.2137 3.3980 3.5662 8.3630 8.4214 8.9407 9.0528 10.4037 10.6386 11.7472 11.7979 12.3632 12.4050 12.4397 12.5042 12.9288 12.9612 13.1457 13.2254 14.2086 14.3241 14.7095 14.8656 15.3744 15.4372 16.8296 17.0518 k = 0.5000 0.1092 0.4579 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4544 -48.4544 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8672 -22.8589 -15.2665 -15.2371 -15.2193 -15.2128 3.3789 3.5430 8.3368 8.3989 8.9908 9.1020 10.3853 10.6065 11.7788 11.8296 12.3742 12.4139 12.4520 12.5205 12.9258 12.9553 13.1475 13.2251 14.2094 14.3352 14.7111 14.8640 15.3359 15.4004 16.9099 17.1326 k = 0.5000 0.1170 0.4469 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4544 -48.4544 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8670 -22.8588 -15.2661 -15.2378 -15.2178 -15.2118 3.3594 3.5190 8.3097 8.3748 9.0438 9.1543 10.3669 10.5747 11.8123 11.8626 12.3855 12.4232 12.4646 12.5367 12.9216 12.9487 13.1491 13.2243 14.2104 14.3468 14.7128 14.8633 15.2973 15.3646 16.9905 17.2124 k = 0.5000 0.1248 0.4358 ( 4484 PWs) bands (ev): -77.4518 -77.4518 -48.4544 -48.4544 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8667 -22.8588 -15.2658 -15.2385 -15.2163 -15.2108 3.3398 3.4946 8.2821 8.3494 9.0993 9.2091 10.3488 10.5435 11.8471 11.8966 12.3967 12.4327 12.4771 12.5524 12.9168 12.9418 13.1497 13.2226 14.2114 14.3585 14.7144 14.8634 15.2584 15.3296 17.0705 17.2906 k = 0.5000 0.1326 0.4248 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8664 -22.8587 -15.2654 -15.2393 -15.2147 -15.2097 3.3202 3.4699 8.2542 8.3230 9.1569 9.2659 10.3311 10.5132 11.8834 11.9315 12.4082 12.4424 12.4900 12.5681 12.9114 12.9346 13.1492 13.2199 14.2125 14.3702 14.7157 14.8643 15.2196 15.2955 17.1497 17.3668 k = 0.5000 0.1404 0.4138 ( 4484 PWs) bands (ev): -77.4518 -77.4518 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4207 -41.4205 -41.4205 -22.8661 -22.8586 -15.2650 -15.2400 -15.2131 -15.2087 3.3007 3.4449 8.2265 8.2959 9.2163 9.3242 10.3141 10.4840 11.9207 11.9669 12.4196 12.4517 12.5027 12.5834 12.9055 12.9273 13.1472 13.2159 14.2136 14.3815 14.7165 14.8658 15.1810 15.2623 17.2274 17.4401 k = 0.5000 0.1482 0.4027 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8658 -22.8585 -15.2645 -15.2407 -15.2116 -15.2077 3.2815 3.4200 8.1991 8.2685 9.2771 9.3834 10.2980 10.4559 11.9591 12.0030 12.4309 12.4610 12.5154 12.5984 12.8996 12.9204 13.1441 13.2109 14.2147 14.3926 14.7169 14.8679 15.1430 15.2299 17.3032 17.5102 k = 0.5000 0.1560 0.3917 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8654 -22.8585 -15.2641 -15.2415 -15.2100 -15.2066 3.2627 3.3952 8.1723 8.2409 9.3388 9.4431 10.2828 10.4292 11.9981 12.0393 12.4420 12.4700 12.5277 12.6127 12.8936 12.9138 13.1388 13.2040 14.2155 14.4026 14.7167 14.8703 15.1059 15.1983 17.3764 17.5762 k = 0.5000 0.1638 0.3807 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8651 -22.8584 -15.2636 -15.2422 -15.2085 -15.2056 3.2446 3.3708 8.1462 8.2135 9.4009 9.5026 10.2689 10.4039 12.0377 12.0759 12.4529 12.4786 12.5397 12.6264 12.8878 12.9076 13.1317 13.1955 14.2162 14.4115 14.7162 14.8729 15.0700 15.1677 17.4468 17.6377 k = 0.5000 0.1716 0.3696 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8648 -22.8584 -15.2631 -15.2430 -15.2071 -15.2046 3.2271 3.3468 8.1210 8.1865 9.4629 9.5614 10.2563 10.3803 12.0776 12.1122 12.4630 12.4863 12.5511 12.6392 12.8823 12.9020 13.1223 13.1850 14.2166 14.4188 14.7153 14.8753 15.0358 15.1379 17.5136 17.6939 k = 0.5000 0.1794 0.3586 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4205 -41.4204 -22.8644 -22.8584 -15.2626 -15.2437 -15.2056 -15.2036 3.2105 3.3234 8.0970 8.1601 9.5243 9.6188 10.2455 10.3584 12.1178 12.1486 12.4731 12.4939 12.5625 12.6520 12.8779 12.8974 13.1112 13.1731 14.2168 14.4242 14.7144 14.8776 15.0040 15.1091 17.5766 17.7448 k = 0.5000 0.1872 0.3476 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8641 -22.8584 -15.2620 -15.2445 -15.2043 -15.2026 3.1949 3.3007 8.0742 8.1345 9.5845 9.6743 10.2365 10.3385 12.1581 12.1848 12.4825 12.5008 12.5730 12.6637 12.8739 12.8932 13.0979 13.1592 14.2168 14.4273 14.7135 14.8793 14.9749 15.0814 17.6352 17.7902 k = 0.5000 0.1951 0.3365 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8637 -22.8584 -15.2615 -15.2452 -15.2030 -15.2017 3.1803 3.2788 8.0528 8.1099 9.6429 9.7271 10.2296 10.3206 12.1982 12.2207 12.4911 12.5069 12.5831 12.6752 12.8708 12.8896 13.0827 13.1436 14.2166 14.4277 14.7128 14.8800 14.9493 15.0546 17.6889 17.8301 k = 0.5000 0.2029 0.3255 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8634 -22.8584 -15.2609 -15.2460 -15.2018 -15.2008 3.1669 3.2579 8.0329 8.0864 9.6987 9.7763 10.2253 10.3050 12.2378 12.2562 12.4987 12.5123 12.5922 12.6859 12.8684 12.8865 13.0652 13.1259 14.2164 14.4250 14.7125 14.8790 14.9283 15.0291 17.7369 17.8645 k = 0.5000 0.2107 0.3145 ( 4486 PWs) bands (ev): -77.4518 -77.4518 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8630 -22.8585 -15.2603 -15.2467 -15.2007 -15.1999 3.1548 3.2381 8.0146 8.0642 9.7511 9.8213 10.2236 10.2919 12.2767 12.2917 12.5054 12.5171 12.6005 12.6961 12.8670 12.8843 13.0461 13.1070 14.2163 14.4193 14.7126 14.8750 14.9132 15.0048 17.7777 17.8930 k = 0.5000 0.2185 0.3034 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8627 -22.8586 -15.2598 -15.2475 -15.1997 -15.1991 3.1439 3.2194 7.9981 8.0435 9.7995 9.8612 10.2250 10.2816 12.3139 12.3270 12.5113 12.5214 12.6084 12.7063 12.8664 12.8825 13.0252 13.0864 14.2165 14.4105 14.7134 14.8673 14.9047 14.9820 17.8082 17.9128 k = 0.5000 0.2263 0.2924 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4548 -48.4548 -43.1516 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8624 -22.8586 -15.2591 -15.2482 -15.1988 -15.1984 3.1345 3.2020 7.9833 8.0243 9.8430 9.8955 10.2295 10.2743 12.3489 12.3628 12.5165 12.5252 12.6160 12.7167 12.8664 12.8813 13.0032 13.0649 14.2172 14.3988 14.7151 14.8576 14.9007 14.9610 17.8215 17.9113 k = 0.5000 0.2341 0.2814 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4548 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8620 -22.8587 -15.2585 -15.2490 -15.1980 -15.1977 3.1266 3.1860 7.9705 8.0068 9.8809 9.9238 10.2368 10.2702 12.3809 12.3977 12.5203 12.5279 12.6228 12.7263 12.8667 12.8801 12.9794 13.0418 14.2188 14.3847 14.7177 14.8475 14.8986 14.9422 17.8096 17.8749 k = 0.5000 0.2419 0.2703 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8617 -22.8589 -15.2579 -15.2497 -15.1972 -15.1971 3.1202 3.1713 7.9596 7.9911 9.9125 9.9462 10.2464 10.2693 12.4108 12.4314 12.5238 12.5303 12.6299 12.7358 12.8674 12.8793 12.9554 13.0180 14.2214 14.3688 14.7214 14.8377 14.8972 14.9261 17.7806 17.8280 k = 0.5000 0.2497 0.2593 ( 4488 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8614 -22.8590 -15.2573 -15.2504 -15.1966 -15.1965 3.1154 3.1581 7.9507 7.9772 9.9379 9.9632 10.2571 10.2712 12.4385 12.4623 12.5266 12.5319 12.6376 12.7443 12.8681 12.8785 12.9317 12.9938 14.2253 14.3518 14.7262 14.8276 14.8960 14.9131 17.7479 17.7840 k = 0.5000 0.2575 0.2483 ( 4482 PWs) bands (ev): -77.4518 -77.4518 -48.4549 -48.4549 -43.1516 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8611 -22.8592 -15.2566 -15.2511 -15.1961 -15.1961 3.1121 3.1465 7.9439 7.9653 9.9573 9.9756 10.2679 10.2755 12.4633 12.4887 12.5293 12.5333 12.6479 12.7515 12.8691 12.8780 12.9104 12.9699 14.2307 14.3343 14.7324 14.8168 14.8948 14.9037 17.7186 17.7462 k = 0.5000 0.2653 0.2372 ( 4482 PWs) bands (ev): -77.4518 -77.4518 -48.4549 -48.4549 -43.1516 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8608 -22.8593 -15.2560 -15.2519 -15.1958 -15.1957 3.1106 3.1364 7.9392 7.9553 9.9713 9.9840 10.2774 10.2807 12.4849 12.5085 12.5313 12.5339 12.6610 12.7543 12.8698 12.8774 12.8938 12.9465 14.2379 14.3169 14.7399 14.8051 14.8936 14.8974 17.6954 17.7156 k = 0.5000 0.2731 0.2262 ( 4482 PWs) bands (ev): -77.4518 -77.4518 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8605 -22.8595 -15.2553 -15.2526 -15.1955 -15.1955 3.1107 3.1279 7.9366 7.9474 9.9810 9.9890 10.2847 10.2857 12.5030 12.5207 12.5325 12.5342 12.6779 12.7502 12.8707 12.8769 12.8851 12.9246 14.2468 14.3001 14.7485 14.7930 14.8926 14.8936 17.6794 17.6928 k = 0.5000 0.2809 0.2152 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4206 -41.4204 -41.4204 -22.8602 -22.8598 -15.2546 -15.2533 -15.1953 -15.1953 3.1125 3.1211 7.9361 7.9415 9.9872 9.9911 10.2892 10.2894 12.5171 12.5266 12.5326 12.5335 12.6981 12.7378 12.8753 12.8774 12.8828 12.9055 14.2576 14.2845 14.7584 14.7809 14.8918 14.8919 17.6710 17.6776 k = 0.5000 0.2887 0.2041 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4206 -41.4206 -41.4204 -41.4204 -22.8600 -22.8600 -15.2539 -15.2539 -15.1953 -15.1953 3.1159 3.1159 7.9378 7.9378 9.9905 9.9905 10.2907 10.2907 12.5259 12.5259 12.5321 12.5321 12.7192 12.7192 12.8778 12.8778 12.8898 12.8898 14.2702 14.2702 14.7693 14.7693 14.8914 14.8914 17.6704 17.6704 k = 0.5000 0.2887 0.2041 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4206 -41.4206 -41.4204 -41.4204 -22.8600 -22.8600 -15.2539 -15.2539 -15.1953 -15.1953 3.1159 3.1159 7.9378 7.9378 9.9905 9.9905 10.2907 10.2907 12.5259 12.5259 12.5321 12.5321 12.7192 12.7192 12.8778 12.8778 12.8898 12.8898 14.2702 14.2702 14.7693 14.7693 14.8914 14.8914 17.6704 17.6704 k = 0.4961 0.2864 0.2169 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4206 -41.4204 -41.4204 -22.8602 -22.8598 -15.2546 -15.2533 -15.1953 -15.1953 3.1125 3.1211 7.9361 7.9415 9.9872 9.9911 10.2893 10.2893 12.5171 12.5266 12.5327 12.5335 12.6981 12.7378 12.8754 12.8773 12.8828 12.9055 14.2576 14.2845 14.7584 14.7809 14.8918 14.8919 17.6710 17.6777 k = 0.4922 0.2842 0.2296 ( 4482 PWs) bands (ev): -77.4518 -77.4518 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8605 -22.8595 -15.2553 -15.2526 -15.1955 -15.1955 3.1107 3.1279 7.9366 7.9474 9.9810 9.9890 10.2850 10.2853 12.5029 12.5205 12.5330 12.5337 12.6778 12.7502 12.8712 12.8764 12.8853 12.9247 14.2468 14.3002 14.7485 14.7930 14.8929 14.8934 17.6795 17.6928 k = 0.4883 0.2819 0.2424 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8608 -22.8593 -15.2560 -15.2519 -15.1958 -15.1957 3.1106 3.1364 7.9392 7.9553 9.9714 9.9839 10.2785 10.2795 12.4850 12.5082 12.5324 12.5331 12.6610 12.7543 12.8716 12.8758 12.8941 12.9467 14.2379 14.3169 14.7399 14.8051 14.8947 14.8964 17.6956 17.7158 k = 0.4844 0.2797 0.2552 ( 4480 PWs) bands (ev): -77.4517 -77.4517 -48.4549 -48.4549 -43.1515 -43.1515 -41.4207 -41.4207 -41.4204 -41.4204 -22.8611 -22.8592 -15.2566 -15.2511 -15.1961 -15.1961 3.1122 3.1465 7.9440 7.9653 9.9577 9.9750 10.2706 10.2727 12.4634 12.4882 12.5304 12.5329 12.6481 12.7511 12.8726 12.8752 12.9103 12.9701 14.2307 14.3344 14.7326 14.8162 14.8973 14.9016 17.7189 17.7465 k = 0.4805 0.2774 0.2679 ( 4491 PWs) bands (ev): -77.4520 -77.4520 -48.4549 -48.4549 -43.1516 -43.1516 -41.4208 -41.4207 -41.4204 -41.4204 -22.8614 -22.8590 -15.2573 -15.2504 -15.1966 -15.1966 3.1154 3.1582 7.9508 7.9773 9.9389 9.9617 10.2624 10.2660 12.4382 12.4611 12.5274 12.5315 12.6379 12.7431 12.8732 12.8746 12.9310 12.9937 14.2253 14.3518 14.7267 14.8257 14.9008 14.9097 17.7482 17.7841 k = 0.4766 0.2751 0.2807 ( 4493 PWs) bands (ev): -77.4520 -77.4520 -48.4549 -48.4549 -43.1517 -43.1516 -41.4208 -41.4207 -41.4205 -41.4204 -22.8617 -22.8589 -15.2579 -15.2497 -15.1972 -15.1971 3.1202 3.1714 7.9597 7.9912 9.9147 9.9432 10.2551 10.2607 12.4114 12.4300 12.5241 12.5296 12.6301 12.7334 12.8739 12.8746 12.9542 13.0177 14.2214 14.3688 14.7224 14.8328 14.9056 14.9215 17.7812 17.8279 k = 0.4727 0.2729 0.2934 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4549 -48.4549 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8620 -22.8587 -15.2585 -15.2490 -15.1980 -15.1977 3.1267 3.1861 7.9706 8.0069 9.8845 9.9189 10.2500 10.2575 12.3824 12.3955 12.5206 12.5276 12.6235 12.7228 12.8753 12.8755 12.9778 13.0414 14.2189 14.3846 14.7198 14.8376 14.9119 14.9369 17.8110 17.8740 k = 0.4688 0.2706 0.3062 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1516 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8624 -22.8586 -15.2592 -15.2482 -15.1988 -15.1984 3.1346 3.2022 7.9834 8.0243 9.8484 9.8887 10.2476 10.2570 12.3517 12.3590 12.5163 12.5249 12.6171 12.7113 12.8770 12.8772 13.0007 13.0642 14.2175 14.3985 14.7187 14.8402 14.9202 14.9554 17.8242 17.9084 k = 0.4648 0.2684 0.3189 ( 4489 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8627 -22.8586 -15.2598 -15.2475 -15.1997 -15.1992 3.1441 3.2196 7.9981 8.0433 9.8067 9.8526 10.2482 10.2592 12.3193 12.3207 12.5110 12.5211 12.6101 12.6989 12.8793 12.8797 13.0221 13.0853 14.2169 14.4099 14.7189 14.8414 14.9310 14.9765 17.8133 17.9110 k = 0.4609 0.2661 0.3317 ( 4486 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4208 -41.4207 -41.4204 -41.4204 -22.8630 -22.8585 -15.2604 -15.2467 -15.2007 -15.2000 3.1549 3.2383 8.0145 8.0638 9.7601 9.8116 10.2519 10.2641 12.2817 12.2861 12.5052 12.5168 12.6029 12.6865 12.8824 12.8829 13.0422 13.1054 14.2169 14.4185 14.7200 14.8415 14.9447 14.9997 17.7862 17.8929 k = 0.4570 0.2639 0.3445 ( 4487 PWs) bands (ev): -77.4519 -77.4519 -48.4548 -48.4548 -43.1517 -43.1515 -41.4209 -41.4207 -41.4205 -41.4204 -22.8634 -22.8584 -15.2609 -15.2460 -15.2018 -15.2008 3.1671 3.2581 8.0326 8.0854 9.7094 9.7665 10.2582 10.2715 12.2419 12.2518 12.4983 12.5112 12.5951 12.6740 12.8864 12.8869 13.0603 13.1237 14.2173 14.4241 14.7217 14.8409 14.9616 15.0244 17.7500 17.8663 k = 0.4531 0.2616 0.3572 ( 4485 PWs) bands (ev): -77.4518 -77.4518 -48.4547 -48.4547 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8637 -22.8584 -15.2615 -15.2452 -15.2030 -15.2018 3.1806 3.2790 8.0521 8.1080 9.6555 9.7182 10.2670 10.2810 12.2017 12.2168 12.4907 12.5048 12.5868 12.6612 12.8917 12.8921 13.0763 13.1402 14.2177 14.4268 14.7235 14.8398 14.9821 15.0506 17.7083 17.8349 k = 0.4492 0.2594 0.3700 ( 4485 PWs) bands (ev): -77.4518 -77.4518 -48.4547 -48.4547 -43.1517 -43.1515 -41.4209 -41.4207 -41.4205 -41.4204 -22.8641 -22.8584 -15.2621 -15.2445 -15.2042 -15.2027 3.1952 3.3008 8.0727 8.1312 9.5992 9.6678 10.2779 10.2925 12.1615 12.1812 12.4822 12.4975 12.5777 12.6482 12.8977 12.8980 13.0902 13.1548 14.2181 14.4269 14.7250 14.8384 15.0059 15.0778 17.6625 17.7997 k = 0.4453 0.2571 0.3827 ( 4479 PWs) bands (ev): -77.4517 -77.4517 -48.4547 -48.4547 -43.1517 -43.1515 -41.4208 -41.4206 -41.4204 -41.4204 -22.8644 -22.8584 -15.2626 -15.2437 -15.2055 -15.2037 3.2109 3.3235 8.0943 8.1547 9.5415 9.6164 10.2907 10.3057 12.1213 12.1453 12.4733 12.4896 12.5683 12.6355 12.9053 12.9053 13.1018 13.1675 14.2183 14.4246 14.7260 14.8369 15.0329 15.1058 17.6135 17.7613 k = 0.4414 0.2548 0.3955 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8648 -22.8584 -15.2632 -15.2429 -15.2069 -15.2047 3.2276 3.3468 8.1165 8.1780 9.4832 9.5649 10.3049 10.3202 12.0812 12.1089 12.4634 12.4806 12.5580 12.6224 12.9133 12.9137 13.1109 13.1777 14.2180 14.4204 14.7265 14.8354 15.0624 15.1343 17.5615 17.7197 k = 0.4375 0.2526 0.4082 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4205 -22.8651 -22.8585 -15.2637 -15.2422 -15.2084 -15.2057 3.2451 3.3706 8.1388 8.2005 9.4252 9.5145 10.3204 10.3360 12.0414 12.0724 12.4529 12.4707 12.5471 12.6095 12.9222 12.9230 13.1177 13.1862 14.2173 14.4146 14.7265 14.8340 15.0941 15.1632 17.5073 17.6750 k = 0.4336 0.2503 0.4210 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4546 -48.4546 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8654 -22.8585 -15.2642 -15.2414 -15.2099 -15.2067 3.2633 3.3948 8.1607 8.2215 9.3687 9.4664 10.3371 10.3528 12.0026 12.0364 12.4420 12.4604 12.5359 12.5969 12.9320 12.9333 13.1229 13.1932 14.2164 14.4078 14.7263 14.8330 15.1273 15.1922 17.4512 17.6276 k = 0.4297 0.2481 0.4338 ( 4481 PWs) bands (ev): -77.4517 -77.4517 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8657 -22.8586 -15.2647 -15.2407 -15.2114 -15.2077 3.2820 3.4193 8.1814 8.2402 9.3146 9.4217 10.3546 10.3704 11.9640 12.0001 12.4303 12.4489 12.5239 12.5843 12.9420 12.9439 13.1254 13.1979 14.2150 14.4001 14.7260 14.8324 15.1612 15.2208 17.3932 17.5773 k = 0.4258 0.2458 0.4465 ( 4477 PWs) bands (ev): -77.4516 -77.4516 -48.4545 -48.4545 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8660 -22.8587 -15.2652 -15.2399 -15.2130 -15.2086 3.3012 3.4438 8.2001 8.2557 9.2644 9.3817 10.3729 10.3887 11.9267 11.9646 12.4183 12.4370 12.5120 12.5726 12.9527 12.9552 13.1264 13.2014 14.2133 14.3919 14.7260 14.8324 15.1955 15.2490 17.3342 17.5251 k = 0.4219 0.2436 0.4593 ( 4471 PWs) bands (ev): -77.4514 -77.4514 -48.4545 -48.4544 -43.1517 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8663 -22.8587 -15.2656 -15.2392 -15.2145 -15.2096 3.3207 3.4681 8.2158 8.2670 9.2192 9.3478 10.3918 10.4076 11.8905 11.9298 12.4061 12.4247 12.4998 12.5612 12.9640 12.9672 13.1254 13.2032 14.2114 14.3835 14.7265 14.8333 15.2296 15.2763 17.2743 17.4710 k = 0.4180 0.2413 0.4720 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8666 -22.8588 -15.2660 -15.2385 -15.2161 -15.2105 3.3403 3.4921 8.2272 8.2729 9.1805 9.3211 10.4110 10.4268 11.8552 11.8955 12.3931 12.4116 12.4871 12.5498 12.9755 12.9795 13.1222 13.2032 14.2093 14.3750 14.7278 14.8350 15.2625 15.3021 17.2137 17.4152 k = 0.4141 0.2391 0.4848 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4210 -41.4206 -41.4205 -41.4204 -22.8668 -22.8589 -15.2665 -15.2378 -15.2176 -15.2113 3.3598 3.5156 8.2333 8.2729 9.1498 9.3028 10.4306 10.4461 11.8214 11.8622 12.3800 12.3983 12.4745 12.5390 12.9869 12.9916 13.1177 13.2020 14.2071 14.3666 14.7301 14.8379 15.2941 15.3263 17.1533 17.3589 k = 0.4102 0.2368 0.4976 ( 4472 PWs) bands (ev): -77.4515 -77.4515 -48.4544 -48.4544 -43.1517 -43.1515 -41.4209 -41.4206 -41.4205 -41.4204 -22.8671 -22.8590 -15.2668 -15.2372 -15.2192 -15.2121 3.3791 3.5384 8.2329 8.2663 9.1284 9.2935 10.4502 10.4656 11.7891 11.8301 12.3667 12.3846 12.4619 12.5288 12.9985 13.0040 13.1119 13.1998 14.2051 14.3586 14.7338 14.8421 15.3238 15.3484 17.0937 17.3026 k = 0.4062 0.2345 0.5103 ( 4482 PWs) bands (ev): -77.4517 -77.4517 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8673 -22.8592 -15.2672 -15.2366 -15.2206 -15.2129 3.3979 3.5602 8.2253 8.2529 9.1172 9.2936 10.4698 10.4848 11.7584 11.7992 12.3529 12.3706 12.4486 12.5179 13.0092 13.0155 13.1045 13.1962 14.2031 14.3510 14.7390 14.8478 15.3506 15.3677 17.0351 17.2468 k = 0.4023 0.2323 0.5231 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8675 -22.8593 -15.2675 -15.2361 -15.2219 -15.2136 3.4161 3.5808 8.2106 8.2332 9.1164 9.3029 10.4892 10.5038 11.7299 11.7702 12.3395 12.3568 12.4361 12.5082 13.0198 13.0269 13.0972 13.1928 14.2017 14.3442 14.7462 14.8552 15.3743 15.3841 16.9788 17.1927 k = 0.3984 0.2300 0.5358 ( 4476 PWs) bands (ev): -77.4516 -77.4516 -48.4543 -48.4543 -43.1518 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8676 -22.8594 -15.2678 -15.2357 -15.2232 -15.2142 3.4335 3.6001 8.1892 8.2079 9.1259 9.3208 10.5082 10.5224 11.7034 11.7430 12.3259 12.3428 12.4234 12.4983 13.0297 13.0376 13.0895 13.1889 14.2008 14.3383 14.7555 14.8645 15.3943 15.3970 16.9255 17.1410 k = 0.3945 0.2278 0.5486 ( 4473 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8678 -22.8595 -15.2680 -15.2354 -15.2242 -15.2148 3.4498 3.6177 8.1619 8.1780 9.1447 9.3464 10.5267 10.5404 11.6792 11.7177 12.3122 12.3288 12.4106 12.4881 13.0387 13.0474 13.0821 13.1852 14.2005 14.3332 14.7671 14.8758 15.4060 15.4097 16.8757 17.0923 k = 0.3906 0.2255 0.5613 ( 4474 PWs) bands (ev): -77.4515 -77.4515 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8679 -22.8597 -15.2682 -15.2353 -15.2250 -15.2153 3.4649 3.6334 8.1302 8.1445 9.1717 9.3787 10.5446 10.5577 11.6572 11.6946 12.2984 12.3147 12.3975 12.4775 13.0470 13.0565 13.0745 13.1810 14.2010 14.3292 14.7813 14.8893 15.4106 15.4200 16.8304 17.0474 k = 0.3867 0.2233 0.5741 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8680 -22.8598 -15.2684 -15.2355 -15.2254 -15.2157 3.4785 3.6471 8.0953 8.1085 9.2057 9.4166 10.5616 10.5741 11.6377 11.6738 12.2847 12.3008 12.3844 12.4664 13.0543 13.0646 13.0680 13.1775 14.2022 14.3262 14.7983 14.9052 15.4108 15.4249 16.7904 17.0071 k = 0.3828 0.2210 0.5869 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8680 -22.8599 -15.2684 -15.2359 -15.2256 -15.2161 3.4904 3.6585 8.0585 8.0712 9.2455 9.4591 10.5777 10.5895 11.6208 11.6553 12.2711 12.2869 12.3712 12.4548 13.0600 13.0627 13.0716 13.1741 14.2043 14.3243 14.8182 14.9233 15.4065 15.4241 16.7563 16.9719 k = 0.3789 0.2188 0.5996 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4542 -48.4542 -43.1517 -43.1515 -41.4210 -41.4207 -41.4205 -41.4205 -22.8681 -22.8600 -15.2684 -15.2365 -15.2255 -15.2164 3.5005 3.6673 8.0210 8.0334 9.2900 9.5054 10.5927 10.6037 11.6064 11.6395 12.2577 12.2732 12.3577 12.4424 13.0570 13.0663 13.0776 13.1713 14.2074 14.3236 14.8412 14.9438 15.3980 15.4174 16.7284 16.9420 k = 0.3750 0.2165 0.6124 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.6250-0.0722 0.4082 ( 4454 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1514 -41.4209 -41.4206 -41.4204 -41.4204 -22.8680 -22.8601 -15.2684 -15.2372 -15.2252 -15.2166 3.5085 3.6734 7.9838 7.9959 9.3384 9.5546 10.6066 10.6167 11.5951 11.6265 12.2448 12.2601 12.3448 12.4298 13.0545 13.0717 13.0836 13.1701 14.2118 14.3243 14.8675 14.9667 15.3861 15.4057 16.7074 16.9181 k = 0.6184-0.0836 0.4082 ( 4478 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8680 -22.8603 -15.2682 -15.2386 -15.2246 -15.2168 3.5195 3.6804 7.9228 7.9346 9.4237 9.6403 10.6282 10.6369 11.5777 11.6065 12.2218 12.2368 12.3201 12.4044 13.0498 13.0773 13.0900 13.1666 14.2186 14.3251 14.9145 15.0057 15.3654 15.3826 16.6736 16.8788 k = 0.6118-0.0950 0.4082 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1518 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8679 -22.8604 -15.2679 -15.2399 -15.2239 -15.2170 3.5296 3.6857 7.8644 7.8757 9.5115 9.7276 10.6491 10.6565 11.5621 11.5881 12.2005 12.2157 12.2951 12.3770 13.0475 13.0830 13.0961 13.1646 14.2270 14.3273 14.9622 15.0424 15.3516 15.3635 16.6348 16.8345 k = 0.6053-0.1064 0.4082 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8679 -22.8606 -15.2676 -15.2412 -15.2232 -15.2172 3.5388 3.6894 7.8086 7.8195 9.6012 9.8160 10.6694 10.6754 11.5478 11.5709 12.1789 12.1946 12.2681 12.3462 13.0462 13.0885 13.1016 13.1627 14.2360 14.3301 15.0102 15.0753 15.3454 15.3482 16.5908 16.7849 k = 0.5987-0.1177 0.4082 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8677 -22.8608 -15.2673 -15.2424 -15.2225 -15.2173 3.5473 3.6918 7.7556 7.7661 9.6926 9.9050 10.6888 10.6934 11.5348 11.5550 12.1582 12.1748 12.2399 12.3126 13.0464 13.0933 13.1062 13.1615 14.2455 14.3334 15.0581 15.1032 15.3370 15.3480 16.5419 16.7306 k = 0.5921-0.1291 0.4082 ( 4480 PWs) bands (ev): -77.4516 -77.4516 -48.4541 -48.4541 -43.1518 -43.1516 -41.4210 -41.4207 -41.4206 -41.4206 -22.8676 -22.8610 -15.2669 -15.2437 -15.2219 -15.2174 3.5551 3.6928 7.7056 7.7156 9.7852 9.9943 10.7074 10.7107 11.5231 11.5404 12.1378 12.1560 12.2105 12.2761 13.0476 13.0976 13.1100 13.1605 14.2554 14.3370 15.1058 15.1254 15.3299 15.3597 16.4885 16.6719 k = 0.5855-0.1405 0.4082 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1517 -43.1516 -41.4210 -41.4207 -41.4206 -41.4205 -22.8674 -22.8612 -15.2664 -15.2449 -15.2212 -15.2174 3.5623 3.6927 7.6586 7.6682 9.8785 10.0833 10.7251 10.7270 11.5127 11.5270 12.1175 12.1385 12.1807 12.2370 13.0502 13.1017 13.1134 13.1598 14.2652 14.3406 15.1429 15.1529 15.3272 15.3797 16.4312 16.6094 k = 0.5789-0.1519 0.4082 ( 4472 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1515 -41.4210 -41.4207 -41.4206 -41.4205 -22.8673 -22.8614 -15.2659 -15.2461 -15.2206 -15.2174 3.5691 3.6916 7.6148 7.6238 9.9722 10.1714 10.7417 10.7424 11.5035 11.5151 12.0957 12.1218 12.1515 12.1955 13.0535 13.1053 13.1160 13.1593 14.2757 14.3448 15.1571 15.1992 15.3286 15.4059 16.3702 16.5433 k = 0.5724-0.1633 0.4082 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1517 -43.1516 -41.4210 -41.4207 -41.4206 -41.4206 -22.8671 -22.8616 -15.2654 -15.2473 -15.2200 -15.2174 3.5755 3.6896 7.5742 7.5826 10.0656 10.2582 10.7567 10.7574 11.4955 11.5043 12.0705 12.1053 12.1247 12.1520 13.0571 13.1081 13.1176 13.1582 14.2860 14.3488 15.1702 15.2442 15.3345 15.4358 16.3063 16.4744 k = 0.5658-0.1747 0.4082 ( 4474 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1516 -41.4210 -41.4208 -41.4206 -41.4205 -22.8669 -22.8618 -15.2649 -15.2484 -15.2195 -15.2173 3.5816 3.6868 7.5369 7.5447 10.1584 10.3430 10.7700 10.7720 11.4887 11.4947 12.0408 12.0876 12.1029 12.1097 13.0613 13.1110 13.1191 13.1571 14.2962 14.3527 15.1842 15.2877 15.3451 15.4675 16.2401 16.4033 k = 0.5592-0.1861 0.4082 ( 4470 PWs) bands (ev): -77.4513 -77.4513 -48.4541 -48.4541 -43.1517 -43.1515 -41.4209 -41.4207 -41.4206 -41.4205 -22.8666 -22.8620 -15.2643 -15.2495 -15.2190 -15.2172 3.5874 3.6834 7.5030 7.5102 10.2498 10.4249 10.7822 10.7855 11.4831 11.4866 12.0067 12.0527 12.0841 12.0853 13.0661 13.1139 13.1204 13.1559 14.3065 14.3567 15.2003 15.3287 15.3610 15.4993 16.1726 16.3308 k = 0.5526-0.1975 0.4082 ( 4466 PWs) bands (ev): -77.4512 -77.4512 -48.4541 -48.4541 -43.1516 -43.1515 -41.4209 -41.4207 -41.4205 -41.4205 -22.8664 -22.8622 -15.2637 -15.2506 -15.2185 -15.2171 3.5931 3.6794 7.4726 7.4791 10.3391 10.5031 10.7932 10.7979 11.4788 11.4799 11.9696 12.0060 12.0701 12.0706 13.0716 13.1163 13.1210 13.1547 14.3172 14.3611 15.2192 15.3654 15.3835 15.5300 16.1040 16.2572 k = 0.5461-0.2089 0.4082 ( 4458 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8661 -22.8625 -15.2631 -15.2516 -15.2181 -15.2170 3.5987 3.6750 7.4457 7.4514 10.4256 10.5765 10.8031 10.8093 11.4744 11.4754 11.9308 11.9576 12.0590 12.0594 13.0772 13.1191 13.1218 13.1531 14.3267 14.3647 15.2417 15.3964 15.4138 15.5587 16.0356 16.1835 k = 0.5395-0.2203 0.4082 ( 4466 PWs) bands (ev): -77.4512 -77.4512 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8659 -22.8627 -15.2625 -15.2526 -15.2178 -15.2169 3.6042 3.6701 7.4223 7.4273 10.5082 10.6435 10.8116 10.8198 11.4700 11.4730 11.8911 11.9093 12.0484 12.0492 13.0822 13.1212 13.1216 13.1505 14.3351 14.3672 15.2678 15.4268 15.4458 15.5845 15.9680 16.1100 k = 0.5329-0.2317 0.4082 ( 4474 PWs) bands (ev): -77.4514 -77.4514 -48.4541 -48.4541 -43.1517 -43.1516 -41.4209 -41.4208 -41.4206 -41.4206 -22.8656 -22.8630 -15.2618 -15.2536 -15.2175 -15.2169 3.6097 3.6650 7.4026 7.4068 10.5856 10.7023 10.8189 10.8295 11.4670 11.4714 11.8520 11.8628 12.0396 12.0407 13.0875 13.1209 13.1230 13.1479 14.3426 14.3690 15.2977 15.4601 15.4751 15.6068 15.9027 16.0377 k = 0.5263-0.2431 0.4082 ( 4476 PWs) bands (ev): -77.4515 -77.4515 -48.4541 -48.4541 -43.1517 -43.1516 -41.4209 -41.4208 -41.4206 -41.4206 -22.8654 -22.8632 -15.2611 -15.2546 -15.2172 -15.2168 3.6151 3.6597 7.3864 7.3898 10.6566 10.7506 10.8248 10.8391 11.4656 11.4708 11.8153 11.8202 12.0326 12.0336 13.0927 13.1199 13.1249 13.1450 14.3496 14.3704 15.3315 15.4941 15.5026 15.6251 15.8418 15.9675 k = 0.5197-0.2545 0.4082 ( 4460 PWs) bands (ev): -77.4511 -77.4511 -48.4541 -48.4541 -43.1516 -43.1515 -41.4208 -41.4207 -41.4205 -41.4205 -22.8651 -22.8635 -15.2604 -15.2555 -15.2170 -15.2167 3.6207 3.6542 7.3740 7.3765 10.7191 10.7859 10.8296 10.8487 11.4660 11.4711 11.7825 11.7833 12.0280 12.0289 13.0988 13.1190 13.1274 13.1430 14.3568 14.3722 15.3683 15.5127 15.5414 15.6392 15.7875 15.8998 k = 0.5132-0.2659 0.4082 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8648 -22.8637 -15.2596 -15.2564 -15.2169 -15.2167 3.6262 3.6486 7.3652 7.3669 10.7704 10.8073 10.8336 10.8567 11.4673 11.4714 11.7544 11.7556 12.0249 12.0255 13.1036 13.1172 13.1296 13.1400 14.3619 14.3721 15.4073 15.5176 15.5851 15.6489 15.7447 15.8357 k = 0.5066-0.2773 0.4082 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8645 -22.8640 -15.2588 -15.2572 -15.2168 -15.2167 3.6318 3.6430 7.3601 7.3609 10.8060 10.8176 10.8390 10.8584 11.4691 11.4714 11.7361 11.7373 12.0228 12.0232 13.1079 13.1147 13.1319 13.1371 14.3660 14.3711 15.4462 15.5071 15.6270 15.6544 15.7213 15.7773 k = 0.5000-0.2887 0.4082 ( 4456 PWs) bands (ev): -77.4510 -77.4510 -48.4541 -48.4541 -43.1515 -43.1515 -41.4207 -41.4207 -41.4205 -41.4205 -22.8643 -22.8643 -15.2580 -15.2580 -15.2167 -15.2167 3.6374 3.6374 7.3587 7.3587 10.8193 10.8193 10.8503 10.8503 11.4707 11.4707 11.7303 11.7303 12.0223 12.0223 13.1116 13.1116 13.1344 13.1344 14.3690 14.3690 15.4815 15.4815 15.6519 15.6519 15.7323 15.7323 Writing output data file HfCoSb.save init_run : 0.74s CPU 0.43s WALL ( 1 calls) electrons : 258.20s CPU 161.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 258.20s CPU 161.85s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.18s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.29s CPU 0.40s WALL ( 350 calls) cegterg : 228.16s CPU 144.00s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 163.30s CPU 94.60s WALL ( 6485 calls) s_psi : 5.58s CPU 3.21s WALL ( 6485 calls) g_psi : 0.32s CPU 0.20s WALL ( 5782 calls) cdiaghg : 61.29s CPU 44.68s WALL ( 6132 calls) cegterg:over : 8.82s CPU 5.60s WALL ( 5782 calls) cegterg:upda : 6.94s CPU 4.90s WALL ( 5782 calls) cegterg:last : 3.66s CPU 2.31s WALL ( 1069 calls) cdiaghg:chol : 3.37s CPU 2.51s WALL ( 6132 calls) cdiaghg:inve : 1.76s CPU 1.38s WALL ( 6132 calls) cdiaghg:para : 3.12s CPU 2.47s WALL ( 12264 calls) Called by h_psi: h_psi:vloc : 147.21s CPU 84.91s WALL ( 6485 calls) h_psi:vnl : 15.73s CPU 9.50s WALL ( 6485 calls) add_vuspsi : 9.28s CPU 5.44s WALL ( 6485 calls) General routines calbec : 6.41s CPU 4.04s WALL ( 6485 calls) fft : 0.03s CPU 0.02s WALL ( 15 calls) fftw : 139.87s CPU 80.50s WALL ( 614180 calls) davcio : 0.39s CPU 0.80s WALL ( 700 calls) Parallel routines fft_scatter : 56.04s CPU 34.27s WALL ( 614195 calls) PWSCF : 4m34.30s CPU 3m 8.91s WALL This run was terminated on: 15:45:56 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=