Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:20 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: ./TiNiSn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 11 951 951 143 Max 39 39 12 956 956 147 Sum 1393 1393 397 34327 34327 5209 bravais-lattice index = 14 lattice parameter (alat) = 7.9332 a.u. unit-cell volume = 353.0512 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.933245 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 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. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Ni 10.00 58.69340 Ni( 1.00) Ti 12.00 47.86700 Ti( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028249 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028249 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028249 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028249 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028249 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028249 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028249 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028249 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028249 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028249 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028249 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028249 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028249 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028249 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028249 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028249 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028249 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028249 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028249 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028249 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028249 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028249 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028249 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028249 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028249 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028249 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028249 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028249 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028249 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028249 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028249 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028249 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028249 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028249 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028249 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028249 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028249 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028249 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028249 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028249 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028249 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028249 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028249 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028249 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028249 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028249 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028249 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028249 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028249 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028249 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028249 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028249 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028249 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028249 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028249 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028249 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028249 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028249 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028249 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028249 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028249 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028249 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028249 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028249 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028249 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028249 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028249 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028249 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028249 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028249 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028249 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028249 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028249 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028249 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028249 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028249 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028249 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028249 k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028249 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028249 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028249 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028249 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028249 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028249 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028249 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028249 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028249 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028249 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028249 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028249 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028249 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028249 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028249 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028249 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028249 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028249 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028249 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028249 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 104) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028249 k( 105) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028249 k( 106) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028249 k( 107) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028249 k( 108) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028249 k( 109) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028249 k( 110) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028249 k( 111) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028249 k( 112) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028249 k( 113) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028249 k( 114) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028249 k( 115) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028249 k( 116) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028249 k( 117) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028249 k( 118) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028249 k( 119) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028249 k( 120) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028249 k( 121) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028249 k( 122) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028249 k( 123) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028249 k( 124) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028249 k( 125) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028249 k( 126) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028249 k( 127) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028249 k( 128) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028249 k( 129) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028249 k( 130) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028249 k( 131) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028249 k( 132) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028249 k( 133) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028249 k( 134) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028249 k( 135) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028249 k( 136) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028249 k( 137) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028249 k( 138) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028249 k( 139) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028249 k( 140) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028249 k( 141) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028249 k( 142) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028249 k( 143) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028249 k( 144) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028249 k( 145) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028249 k( 146) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028249 k( 147) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028249 k( 148) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028249 k( 149) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028249 k( 150) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028249 k( 151) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028249 k( 152) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028249 k( 153) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028249 k( 154) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028249 k( 155) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028249 k( 156) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028249 k( 157) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028249 k( 158) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028249 k( 159) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028249 k( 163) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028249 k( 164) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028249 k( 165) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028249 k( 166) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028249 k( 167) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028249 k( 168) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028249 k( 169) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028249 k( 170) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028249 k( 171) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028249 k( 172) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028249 k( 173) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028249 k( 174) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028249 k( 175) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028249 k( 176) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028249 k( 177) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028249 k( 178) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028249 k( 179) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028249 k( 180) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028249 k( 181) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028249 k( 182) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028249 k( 183) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028249 k( 184) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028249 k( 185) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028249 k( 186) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028249 k( 187) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028249 k( 188) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028249 k( 189) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028249 k( 190) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028249 k( 191) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028249 k( 192) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028249 k( 193) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028249 k( 194) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028249 k( 195) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028249 k( 196) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028249 k( 197) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028249 k( 198) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028249 k( 199) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028249 k( 200) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028249 k( 201) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028249 k( 202) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028249 k( 203) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028249 k( 204) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028249 k( 205) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028249 k( 206) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028249 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 208) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 209) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028249 k( 210) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028249 k( 211) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028249 k( 212) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028249 k( 213) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028249 k( 214) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028249 k( 215) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028249 k( 216) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028249 k( 217) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028249 k( 218) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028249 k( 219) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028249 k( 220) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028249 k( 221) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028249 k( 222) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028249 k( 223) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028249 k( 224) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028249 k( 225) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028249 k( 226) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028249 k( 227) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028249 k( 228) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028249 k( 229) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028249 k( 230) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028249 k( 231) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028249 k( 232) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028249 k( 233) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028249 k( 234) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028249 k( 235) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028249 k( 236) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028249 k( 237) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028249 k( 238) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028249 k( 239) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028249 k( 240) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028249 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 242) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 243) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028249 k( 244) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028249 k( 245) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028249 k( 246) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028249 k( 247) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028249 k( 248) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028249 k( 249) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028249 k( 250) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028249 k( 251) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028249 k( 252) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028249 k( 253) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028249 k( 254) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028249 k( 255) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028249 k( 256) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028249 k( 257) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028249 k( 258) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028249 k( 259) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028249 k( 260) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028249 k( 261) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028249 k( 262) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028249 k( 263) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028249 k( 264) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028249 k( 265) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028249 k( 266) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028249 k( 267) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028249 k( 268) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028249 k( 269) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028249 k( 270) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028249 k( 271) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028249 k( 272) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028249 k( 273) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028249 k( 274) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028249 k( 275) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028249 k( 276) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028249 k( 277) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028249 k( 278) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028249 k( 279) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028249 k( 280) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028249 k( 281) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028249 k( 282) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028249 k( 283) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028249 k( 284) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028249 k( 285) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028249 k( 286) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028249 k( 287) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028249 k( 288) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028249 k( 289) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028249 k( 290) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028249 k( 291) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028249 k( 292) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028249 k( 293) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028249 k( 294) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028249 k( 295) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028249 k( 296) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028249 k( 297) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028249 k( 298) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028249 k( 299) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028249 k( 300) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 301) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028249 k( 302) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028249 k( 303) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028249 k( 304) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028249 k( 305) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028249 k( 306) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028249 k( 307) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028249 k( 308) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028249 k( 309) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028249 k( 310) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028249 k( 311) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028249 k( 312) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028249 k( 313) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028249 k( 314) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028249 k( 315) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028249 k( 316) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028249 k( 317) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028249 k( 318) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028249 k( 319) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028249 k( 320) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028249 k( 321) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028249 k( 322) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028249 k( 323) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028249 k( 324) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028249 k( 325) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028249 k( 326) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028249 k( 327) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028249 k( 328) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028249 k( 329) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028249 k( 330) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028249 k( 331) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028249 k( 332) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028249 k( 333) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028249 k( 334) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028249 k( 335) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028249 k( 336) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028249 k( 337) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028249 k( 338) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028249 k( 339) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028249 k( 340) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028249 k( 341) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028249 k( 342) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028249 k( 343) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028249 k( 344) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028249 k( 345) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028249 k( 346) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028249 k( 347) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028249 k( 348) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028249 k( 349) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028249 k( 350) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028249 k( 351) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028249 k( 352) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028249 k( 353) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028249 k( 354) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028249 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028249 k( 4) = ( 0.0283019 -0.0000000 0.0283019), wk = 0.0028249 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028249 k( 6) = ( 0.0471698 0.0000000 0.0471698), wk = 0.0028249 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028249 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028249 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028249 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028249 k( 11) = ( 0.0943396 0.0000000 0.0943396), wk = 0.0028249 k( 12) = ( 0.1037736 -0.0000000 0.1037736), wk = 0.0028249 k( 13) = ( 0.1132076 -0.0000000 0.1132075), wk = 0.0028249 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028249 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028249 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028249 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028249 k( 18) = ( 0.1603774 0.0000000 0.1603774), wk = 0.0028249 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028249 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028249 k( 21) = ( 0.1886792 0.0000000 0.1886792), wk = 0.0028249 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028249 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028249 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028249 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028249 k( 26) = ( 0.2358491 -0.0000000 0.2358491), wk = 0.0028249 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028249 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028249 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028249 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028249 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028249 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028249 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028249 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028249 k( 35) = ( 0.3207547 0.0000000 0.3207547), wk = 0.0028249 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028249 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028249 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028249 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028249 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028249 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028249 k( 42) = ( 0.3867925 0.0000000 0.3867925), wk = 0.0028249 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028249 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028249 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028249 k( 46) = ( 0.4245283 -0.0000000 0.4245283), wk = 0.0028249 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028249 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028249 k( 49) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028249 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028249 k( 51) = ( 0.4716981 0.0000000 0.4716981), wk = 0.0028249 k( 52) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028249 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028249 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028249 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028249 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028249 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028249 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028249 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028249 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028249 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028249 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028249 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028249 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028249 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028249 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028249 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028249 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028249 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028249 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028249 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028249 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028249 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028249 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028249 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028249 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028249 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028249 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028249 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028249 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028249 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028249 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028249 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028249 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028249 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028249 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028249 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028249 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028249 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028249 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028249 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028249 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028249 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028249 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028249 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028249 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028249 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028249 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 104) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028249 k( 105) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028249 k( 106) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028249 k( 107) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028249 k( 108) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028249 k( 109) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028249 k( 110) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028249 k( 111) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028249 k( 112) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028249 k( 113) = ( 0.3092105 0.3092105 0.6184210), wk = 0.0028249 k( 114) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028249 k( 115) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028249 k( 116) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028249 k( 117) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028249 k( 118) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028249 k( 119) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028249 k( 120) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028249 k( 121) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028249 k( 122) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 123) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028249 k( 124) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028249 k( 125) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028249 k( 126) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028249 k( 127) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028249 k( 128) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028249 k( 129) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028249 k( 130) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028249 k( 131) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028249 k( 132) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028249 k( 133) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028249 k( 134) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028249 k( 135) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028249 k( 136) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028249 k( 137) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028249 k( 138) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028249 k( 139) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028249 k( 140) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028249 k( 141) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028249 k( 142) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028249 k( 143) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028249 k( 144) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028249 k( 145) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028249 k( 146) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028249 k( 147) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028249 k( 148) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028249 k( 149) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028249 k( 150) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028249 k( 151) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028249 k( 152) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028249 k( 153) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028249 k( 154) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028249 k( 155) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028249 k( 156) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028249 k( 157) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028249 k( 158) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028249 k( 159) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 162) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028249 k( 163) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028249 k( 164) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028249 k( 165) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028249 k( 166) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028249 k( 167) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028249 k( 168) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028249 k( 169) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028249 k( 170) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028249 k( 171) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0028249 k( 172) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028249 k( 173) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028249 k( 174) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028249 k( 175) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028249 k( 176) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028249 k( 177) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028249 k( 178) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028249 k( 179) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028249 k( 180) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028249 k( 181) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028249 k( 182) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028249 k( 183) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028249 k( 184) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 185) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028249 k( 186) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028249 k( 187) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028249 k( 188) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028249 k( 189) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028249 k( 190) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028249 k( 191) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028249 k( 192) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028249 k( 193) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028249 k( 194) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028249 k( 195) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028249 k( 196) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028249 k( 197) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0028249 k( 198) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028249 k( 199) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028249 k( 200) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028249 k( 201) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028249 k( 202) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028249 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028249 k( 204) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028249 k( 205) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028249 k( 206) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028249 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 209) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028249 k( 210) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028249 k( 211) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028249 k( 212) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028249 k( 213) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028249 k( 214) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028249 k( 215) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028249 k( 216) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028249 k( 217) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028249 k( 218) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028249 k( 219) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028249 k( 220) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028249 k( 221) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028249 k( 222) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028249 k( 223) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028249 k( 224) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028249 k( 225) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028249 k( 226) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028249 k( 227) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028249 k( 228) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028249 k( 229) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028249 k( 230) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028249 k( 231) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028249 k( 232) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028249 k( 233) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028249 k( 234) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028249 k( 235) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028249 k( 236) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028249 k( 237) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028249 k( 238) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028249 k( 239) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028249 k( 240) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028249 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 242) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 243) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028249 k( 244) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028249 k( 245) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028249 k( 246) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028249 k( 247) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028249 k( 248) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028249 k( 249) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028249 k( 250) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028249 k( 251) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028249 k( 252) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028249 k( 253) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028249 k( 254) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028249 k( 255) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028249 k( 256) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028249 k( 257) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028249 k( 258) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028249 k( 259) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028249 k( 260) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028249 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 262) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028249 k( 263) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028249 k( 264) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028249 k( 265) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028249 k( 266) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028249 k( 267) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028249 k( 268) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028249 k( 269) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028249 k( 270) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028249 k( 271) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028249 k( 272) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028249 k( 273) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028249 k( 274) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028249 k( 275) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028249 k( 276) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028249 k( 277) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028249 k( 278) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028249 k( 279) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028249 k( 280) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028249 k( 281) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028249 k( 282) = ( 0.5000000 0.3815789 0.6184210), wk = 0.0028249 k( 283) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028249 k( 284) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028249 k( 285) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028249 k( 286) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028249 k( 287) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028249 k( 288) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028249 k( 289) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028249 k( 290) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028249 k( 291) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028249 k( 292) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028249 k( 293) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028249 k( 294) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028249 k( 295) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028249 k( 296) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028249 k( 297) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028249 k( 298) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028249 k( 299) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028249 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 302) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028249 k( 303) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028249 k( 304) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028249 k( 305) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028249 k( 306) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028249 k( 307) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028249 k( 308) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028249 k( 309) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028249 k( 310) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028249 k( 311) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028249 k( 312) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028249 k( 313) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028249 k( 314) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028249 k( 315) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028249 k( 316) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028249 k( 317) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028249 k( 318) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028249 k( 319) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028249 k( 320) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028249 k( 321) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028249 k( 322) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028249 k( 323) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028249 k( 324) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028249 k( 325) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028249 k( 326) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028249 k( 327) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028249 k( 328) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028249 k( 329) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028249 k( 330) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028249 k( 331) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028249 k( 332) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028249 k( 333) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028249 k( 334) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028249 k( 335) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028249 k( 336) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028249 k( 337) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028249 k( 338) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028249 k( 339) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028249 k( 340) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028249 k( 341) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028249 k( 342) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028249 k( 343) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028249 k( 344) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028249 k( 345) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028249 k( 346) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028249 k( 347) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028249 k( 348) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028249 k( 349) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028249 k( 350) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028249 k( 351) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028249 k( 352) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028249 k( 353) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028249 k( 354) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028249 Dense grid: 34327 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 250, 44) NL pseudopotentials 0.19 Mb ( 125, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 952) G-vector shells 0.00 Mb ( 300) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 250, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./TiNiSn.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 8 random wfc 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 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.4 secs Computing kpt #: 14 total cpu time spent up to now is 11.0 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.2 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.8 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.9 secs Computing kpt #: 32 total cpu time spent up to now is 22.6 secs Computing kpt #: 33 total cpu time spent up to now is 23.2 secs Computing kpt #: 34 total cpu time spent up to now is 23.8 secs Computing kpt #: 35 total cpu time spent up to now is 24.5 secs Computing kpt #: 36 total cpu time spent up to now is 25.2 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.6 secs Computing kpt #: 39 total cpu time spent up to now is 27.3 secs Computing kpt #: 40 total cpu time spent up to now is 28.0 secs Computing kpt #: 41 total cpu time spent up to now is 28.7 secs Computing kpt #: 42 total cpu time spent up to now is 29.4 secs Computing kpt #: 43 total cpu time spent up to now is 30.0 secs Computing kpt #: 44 total cpu time spent up to now is 30.6 secs Computing kpt #: 45 total cpu time spent up to now is 31.2 secs Computing kpt #: 46 total cpu time spent up to now is 31.7 secs Computing kpt #: 47 total cpu time spent up to now is 32.3 secs Computing kpt #: 48 total cpu time spent up to now is 32.8 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 33.9 secs Computing kpt #: 51 total cpu time spent up to now is 34.5 secs Computing kpt #: 52 total cpu time spent up to now is 35.0 secs Computing kpt #: 53 total cpu time spent up to now is 35.6 secs Computing kpt #: 54 total cpu time spent up to now is 36.1 secs Computing kpt #: 55 total cpu time spent up to now is 36.7 secs Computing kpt #: 56 total cpu time spent up to now is 37.3 secs Computing kpt #: 57 total cpu time spent up to now is 37.8 secs Computing kpt #: 58 total cpu time spent up to now is 38.3 secs Computing kpt #: 59 total cpu time spent up to now is 38.9 secs Computing kpt #: 60 total cpu time spent up to now is 39.5 secs Computing kpt #: 61 total cpu time spent up to now is 40.1 secs Computing kpt #: 62 total cpu time spent up to now is 40.7 secs Computing kpt #: 63 total cpu time spent up to now is 41.4 secs Computing kpt #: 64 total cpu time spent up to now is 42.0 secs Computing kpt #: 65 total cpu time spent up to now is 42.7 secs Computing kpt #: 66 total cpu time spent up to now is 43.4 secs Computing kpt #: 67 total cpu time spent up to now is 44.0 secs Computing kpt #: 68 total cpu time spent up to now is 44.6 secs Computing kpt #: 69 total cpu time spent up to now is 45.3 secs Computing kpt #: 70 total cpu time spent up to now is 46.0 secs Computing kpt #: 71 total cpu time spent up to now is 46.7 secs Computing kpt #: 72 total cpu time spent up to now is 47.4 secs Computing kpt #: 73 total cpu time spent up to now is 48.1 secs Computing kpt #: 74 total cpu time spent up to now is 48.8 secs Computing kpt #: 75 total cpu time spent up to now is 49.5 secs Computing kpt #: 76 total cpu time spent up to now is 50.1 secs Computing kpt #: 77 total cpu time spent up to now is 50.8 secs Computing kpt #: 78 total cpu time spent up to now is 51.4 secs Computing kpt #: 79 total cpu time spent up to now is 52.1 secs Computing kpt #: 80 total cpu time spent up to now is 52.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.3 secs Computing kpt #: 82 total cpu time spent up to now is 53.9 secs Computing kpt #: 83 total cpu time spent up to now is 54.5 secs Computing kpt #: 84 total cpu time spent up to now is 55.1 secs Computing kpt #: 85 total cpu time spent up to now is 55.8 secs Computing kpt #: 86 total cpu time spent up to now is 56.4 secs Computing kpt #: 87 total cpu time spent up to now is 57.0 secs Computing kpt #: 88 total cpu time spent up to now is 57.6 secs Computing kpt #: 89 total cpu time spent up to now is 58.3 secs Computing kpt #: 90 total cpu time spent up to now is 59.0 secs Computing kpt #: 91 total cpu time spent up to now is 59.7 secs Computing kpt #: 92 total cpu time spent up to now is 60.5 secs Computing kpt #: 93 total cpu time spent up to now is 61.2 secs Computing kpt #: 94 total cpu time spent up to now is 61.9 secs Computing kpt #: 95 total cpu time spent up to now is 62.7 secs Computing kpt #: 96 total cpu time spent up to now is 63.4 secs Computing kpt #: 97 total cpu time spent up to now is 64.1 secs Computing kpt #: 98 total cpu time spent up to now is 64.9 secs Computing kpt #: 99 total cpu time spent up to now is 65.7 secs Computing kpt #: 100 total cpu time spent up to now is 66.4 secs Computing kpt #: 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up to now is 76.4 secs Computing kpt #: 117 total cpu time spent up to now is 77.0 secs Computing kpt #: 118 total cpu time spent up to now is 77.6 secs Computing kpt #: 119 total cpu time spent up to now is 78.2 secs Computing kpt #: 120 total cpu time spent up to now is 78.7 secs Computing kpt #: 121 total cpu time spent up to now is 79.3 secs Computing kpt #: 122 total cpu time spent up to now is 79.9 secs Computing kpt #: 123 total cpu time spent up to now is 80.5 secs Computing kpt #: 124 total cpu time spent up to now is 81.1 secs Computing kpt #: 125 total cpu time spent up to now is 81.7 secs Computing kpt #: 126 total cpu time spent up to now is 82.3 secs Computing kpt #: 127 total cpu time spent up to now is 82.8 secs Computing kpt #: 128 total cpu time spent up to now is 83.4 secs Computing kpt #: 129 total cpu time spent up to now is 83.9 secs Computing kpt #: 130 total cpu time spent up to now is 84.5 secs Computing kpt #: 131 total cpu time spent up to now is 85.1 secs Computing kpt #: 132 total cpu time spent up to now is 85.6 secs Computing kpt #: 133 total cpu time spent up to now is 86.2 secs Computing kpt #: 134 total cpu time spent up to now is 86.7 secs Computing kpt #: 135 total cpu time spent up to now is 87.3 secs Computing kpt #: 136 total cpu time spent up to now is 87.8 secs Computing kpt #: 137 total cpu time spent up to now is 88.3 secs Computing kpt #: 138 total cpu time spent up to now is 88.8 secs Computing kpt #: 139 total cpu time spent up to now is 89.3 secs Computing kpt #: 140 total cpu time spent up to now is 89.9 secs Computing kpt #: 141 total cpu time spent up to now is 90.4 secs Computing kpt #: 142 total cpu time spent up to now is 90.9 secs Computing kpt #: 143 total cpu time spent up to now is 91.5 secs Computing kpt #: 144 total cpu time spent up to now is 92.1 secs Computing kpt #: 145 total cpu time spent up to now is 92.8 secs Computing kpt #: 146 total cpu time spent up to now is 93.4 secs Computing kpt #: 147 total cpu time spent up to now is 94.0 secs Computing kpt #: 148 total cpu time spent up to now is 94.7 secs Computing kpt #: 149 total cpu time spent up to now is 95.4 secs Computing kpt #: 150 total cpu time spent up to now is 96.1 secs Computing kpt #: 151 total cpu time spent up to now is 96.8 secs Computing kpt #: 152 total cpu time spent up to now is 97.5 secs Computing kpt #: 153 total cpu time spent up to now is 98.2 secs Computing kpt #: 154 total cpu time spent up to now is 98.9 secs Computing kpt #: 155 total cpu time spent up to now is 99.5 secs Computing kpt #: 156 total cpu time spent up to now is 100.2 secs Computing kpt #: 157 total cpu time spent up to now is 100.8 secs Computing kpt #: 158 total cpu time spent up to now is 101.4 secs Computing kpt #: 159 total cpu time spent up to now is 102.0 secs Computing kpt #: 160 total cpu time spent up to now is 102.6 secs Computing kpt #: 161 total cpu time spent up to now is 103.2 secs Computing kpt #: 162 total cpu time spent up to now is 103.8 secs Computing kpt #: 163 total cpu time spent up to now is 104.4 secs Computing kpt #: 164 total cpu time spent up to now is 105.0 secs Computing kpt #: 165 total cpu time spent up to now is 105.6 secs Computing kpt #: 166 total cpu time spent up to now is 106.3 secs Computing kpt #: 167 total cpu time spent up to now is 106.9 secs Computing kpt #: 168 total cpu time spent up to now is 107.5 secs Computing kpt #: 169 total cpu time spent up to now is 108.3 secs Computing kpt #: 170 total cpu time spent up to now is 109.0 secs Computing kpt #: 171 total cpu time spent up to now is 109.7 secs Computing kpt #: 172 total cpu time spent up to now is 110.3 secs Computing kpt #: 173 total cpu time spent up to now is 110.9 secs Computing kpt #: 174 total cpu time spent up to now is 111.6 secs Computing kpt #: 175 total cpu time spent up to now is 112.2 secs Computing kpt #: 176 total cpu time spent up to now is 112.8 secs Computing kpt #: 177 total cpu time spent up to now is 113.5 secs Computing kpt #: 178 total cpu time spent up to now is 114.1 secs Computing kpt #: 179 total cpu time spent up to now is 114.7 secs Computing kpt #: 180 total cpu time spent up to now is 115.6 secs Computing kpt #: 181 total cpu time spent up to now is 116.4 secs Computing kpt #: 182 total cpu time spent up to now is 117.1 secs Computing kpt #: 183 total cpu time spent up to now is 117.9 secs Computing kpt #: 184 total cpu time spent up to now is 118.6 secs Computing kpt #: 185 total cpu time spent up to now is 119.3 secs Computing kpt #: 186 total cpu time spent up to now is 119.9 secs Computing kpt #: 187 total cpu time spent up to now is 120.5 secs Computing kpt #: 188 total cpu time spent up to now is 121.1 secs Computing kpt #: 189 total cpu time spent up to now is 121.7 secs Computing kpt #: 190 total cpu time spent up to now is 122.2 secs Computing kpt #: 191 total cpu time spent up to now is 122.8 secs Computing kpt #: 192 total cpu time spent up to now is 123.4 secs Computing kpt #: 193 total cpu time spent up to now is 124.0 secs Computing kpt #: 194 total cpu time spent up to now is 124.5 secs Computing kpt #: 195 total cpu time spent up to now is 125.1 secs Computing kpt #: 196 total cpu time spent up to now is 125.7 secs Computing kpt #: 197 total cpu time spent up to now is 126.3 secs Computing kpt #: 198 total cpu time spent up to now is 127.0 secs Computing kpt #: 199 total cpu time spent up to now is 127.5 secs Computing kpt #: 200 total cpu time spent up to now is 128.1 secs Computing kpt #: 201 total cpu time spent up to now is 128.7 secs Computing kpt #: 202 total cpu time spent up to now is 129.2 secs Computing kpt #: 203 total cpu time spent up to now is 129.8 secs Computing kpt #: 204 total cpu time spent up to now is 130.3 secs Computing kpt #: 205 total cpu time spent up to now is 130.9 secs Computing kpt #: 206 total cpu time spent up to now is 131.5 secs Computing kpt #: 207 total cpu time spent up to now is 132.2 secs Computing kpt #: 208 total cpu time spent up to now is 132.7 secs Computing kpt #: 209 total cpu time spent up to now is 133.3 secs Computing kpt #: 210 total cpu time spent up to now is 133.9 secs Computing kpt #: 211 total cpu time spent up to now is 134.5 secs Computing kpt #: 212 total cpu time spent up to now is 135.2 secs Computing kpt #: 213 total cpu time spent up to now is 135.8 secs Computing kpt #: 214 total cpu time spent up to now is 136.4 secs Computing kpt #: 215 total cpu time spent up to now is 136.9 secs Computing kpt #: 216 total cpu time spent up to now is 137.5 secs Computing kpt #: 217 total cpu time spent up to now is 138.1 secs Computing kpt #: 218 total cpu time spent up to now is 138.7 secs Computing kpt #: 219 total cpu time spent up to now is 139.3 secs Computing kpt #: 220 total cpu time spent up to now is 139.9 secs Computing kpt #: 221 total cpu time spent up to now is 140.5 secs Computing kpt #: 222 total cpu time spent up to now is 141.1 secs Computing kpt #: 223 total cpu time spent up to now is 141.7 secs Computing kpt #: 224 total cpu time spent up to now is 142.5 secs Computing kpt #: 225 total cpu time spent up to now is 143.2 secs Computing kpt #: 226 total cpu time spent up to now is 143.9 secs Computing kpt #: 227 total cpu time spent up to now is 144.7 secs Computing kpt #: 228 total cpu time spent up to now is 145.4 secs Computing kpt #: 229 total cpu time spent up to now is 146.1 secs Computing kpt #: 230 total cpu time spent up to now is 146.9 secs Computing kpt #: 231 total cpu time spent up to now is 147.6 secs Computing kpt #: 232 total cpu time spent up to now is 148.3 secs Computing kpt #: 233 total cpu time spent up to now is 149.0 secs Computing kpt #: 234 total cpu time spent up to now is 149.7 secs Computing kpt #: 235 total cpu time spent up to now is 150.4 secs Computing kpt #: 236 total cpu time spent up to now is 151.1 secs Computing kpt #: 237 total cpu time spent up to now is 151.8 secs Computing kpt #: 238 total cpu time spent up to now is 152.5 secs Computing kpt #: 239 total cpu time spent up to now is 153.2 secs Computing kpt #: 240 total cpu time spent up to now is 153.9 secs Computing kpt #: 241 total cpu time spent up to now is 154.7 secs Computing kpt #: 242 total cpu time spent up to now is 155.4 secs Computing kpt #: 243 total cpu time spent up to now is 156.1 secs Computing kpt #: 244 total cpu time spent up to now is 156.9 secs Computing kpt #: 245 total cpu time spent up to now is 157.7 secs Computing kpt #: 246 total cpu time spent up to now is 158.4 secs Computing kpt #: 247 total cpu time spent up to now is 159.1 secs Computing kpt #: 248 total cpu time spent up to now is 159.9 secs Computing kpt #: 249 total cpu time spent up to now is 160.6 secs Computing kpt #: 250 total cpu time spent up to now is 161.3 secs Computing kpt #: 251 total cpu time spent up to now is 162.0 secs Computing kpt #: 252 total cpu time spent up to now is 162.8 secs Computing kpt #: 253 total cpu time spent up to now is 163.4 secs Computing kpt #: 254 total cpu time spent up to now is 164.2 secs Computing kpt #: 255 total cpu time spent up to now is 164.9 secs Computing kpt #: 256 total cpu time spent up to now is 165.5 secs Computing kpt #: 257 total cpu time spent up to now is 166.1 secs Computing kpt #: 258 total cpu time spent up to now is 166.7 secs Computing kpt #: 259 total cpu time spent up to now is 167.4 secs Computing kpt #: 260 total cpu time spent up to now is 168.0 secs Computing kpt #: 261 total cpu time spent up to now is 168.6 secs Computing kpt #: 262 total cpu time spent up to now is 169.2 secs Computing kpt #: 263 total cpu time spent up to now is 169.8 secs Computing kpt #: 264 total cpu time spent up to now is 170.5 secs Computing kpt #: 265 total cpu time spent up to now is 171.1 secs Computing kpt #: 266 total cpu time spent up to now is 171.8 secs Computing kpt #: 267 total cpu time spent up to now is 172.4 secs Computing kpt #: 268 total cpu time spent up to now is 173.0 secs Computing kpt #: 269 total cpu time spent up to now is 173.7 secs Computing kpt #: 270 total cpu time spent up to now is 174.3 secs Computing kpt #: 271 total cpu time spent up to now is 175.0 secs Computing kpt #: 272 total cpu time spent up to now is 175.7 secs Computing kpt #: 273 total cpu time spent up to now is 176.4 secs Computing kpt #: 274 total cpu time spent up to now is 177.1 secs Computing kpt #: 275 total cpu time spent up to now is 177.8 secs Computing kpt #: 276 total cpu time spent up to now is 178.5 secs Computing kpt #: 277 total cpu time spent up to now is 179.2 secs Computing kpt #: 278 total cpu time spent up to now is 179.9 secs Computing kpt #: 279 total cpu time spent up to now is 180.7 secs Computing kpt #: 280 total cpu time spent up to now is 181.4 secs Computing kpt #: 281 total cpu time spent up to now is 182.1 secs Computing kpt #: 282 total cpu time spent up to now is 182.8 secs Computing kpt #: 283 total cpu time spent up to now is 183.6 secs Computing kpt #: 284 total cpu time spent up to now is 184.3 secs Computing kpt #: 285 total cpu time spent up to now is 185.0 secs Computing kpt #: 286 total cpu time spent up to now is 185.7 secs Computing kpt #: 287 total cpu time spent up to now is 186.4 secs Computing kpt #: 288 total cpu time spent up to now is 187.1 secs Computing kpt #: 289 total cpu time spent up to now is 187.8 secs Computing kpt #: 290 total cpu time spent up to now is 188.4 secs Computing kpt #: 291 total cpu time spent up to now is 189.0 secs Computing kpt #: 292 total cpu time spent up to now is 189.6 secs Computing kpt #: 293 total cpu time spent up to now is 190.2 secs Computing kpt #: 294 total cpu time spent up to now is 190.8 secs Computing kpt #: 295 total cpu time spent up to now is 191.3 secs Computing kpt #: 296 total cpu time spent up to now is 191.9 secs Computing kpt #: 297 total cpu time spent up to now is 192.6 secs Computing kpt #: 298 total cpu time spent up to now is 193.2 secs Computing kpt #: 299 total cpu time spent up to now is 193.8 secs Computing kpt #: 300 total cpu time spent up to now is 194.3 secs Computing kpt #: 301 total cpu time spent up to now is 194.9 secs Computing kpt #: 302 total cpu time spent up to now is 195.5 secs Computing kpt #: 303 total cpu time spent up to now is 196.1 secs Computing kpt #: 304 total cpu time spent up to now is 196.7 secs Computing kpt #: 305 total cpu time spent up to now is 197.4 secs Computing kpt #: 306 total cpu time spent up to now is 198.0 secs Computing kpt #: 307 total cpu time spent up to now is 198.6 secs Computing kpt #: 308 total cpu time spent up to now is 199.1 secs Computing kpt #: 309 total cpu time spent up to now is 199.7 secs Computing kpt #: 310 total cpu time spent up to now is 200.3 secs Computing kpt #: 311 total cpu time spent up to now is 200.9 secs Computing kpt #: 312 total cpu time spent up to now is 201.5 secs Computing kpt #: 313 total cpu time spent up to now is 202.2 secs Computing kpt #: 314 total cpu time spent up to now is 202.8 secs Computing kpt #: 315 total cpu time spent up to now is 203.5 secs Computing kpt #: 316 total cpu time spent up to now is 204.3 secs Computing kpt #: 317 total cpu time spent up to now is 205.0 secs Computing kpt #: 318 total cpu time spent up to now is 205.6 secs Computing kpt #: 319 total cpu time spent up to now is 206.3 secs Computing kpt #: 320 total cpu time spent up to now is 207.0 secs Computing kpt #: 321 total cpu time spent up to now is 207.7 secs Computing kpt #: 322 total cpu time spent up to now is 208.5 secs Computing kpt #: 323 total cpu time spent up to now is 209.2 secs Computing kpt #: 324 total cpu time spent up to now is 209.9 secs Computing kpt #: 325 total cpu time spent up to now is 210.6 secs Computing kpt #: 326 total cpu time spent up to now is 211.4 secs Computing kpt #: 327 total cpu time spent up to now is 212.1 secs Computing kpt #: 328 total cpu time spent up to now is 212.9 secs Computing kpt #: 329 total cpu time spent up to now is 213.5 secs Computing kpt #: 330 total cpu time spent up to now is 214.3 secs Computing kpt #: 331 total cpu time spent up to now is 215.0 secs Computing kpt #: 332 total cpu time spent up to now is 215.8 secs Computing kpt #: 333 total cpu time spent up to now is 216.6 secs Computing kpt #: 334 total cpu time spent up to now is 217.3 secs Computing kpt #: 335 total cpu time spent up to now is 218.1 secs Computing kpt #: 336 total cpu time spent up to now is 218.8 secs Computing kpt #: 337 total cpu time spent up to now is 219.5 secs Computing kpt #: 338 total cpu time spent up to now is 220.3 secs Computing kpt #: 339 total cpu time spent up to now is 220.9 secs Computing kpt #: 340 total cpu time spent up to now is 221.7 secs Computing kpt #: 341 total cpu time spent up to now is 222.3 secs Computing kpt #: 342 total cpu time spent up to now is 223.0 secs Computing kpt #: 343 total cpu time spent up to now is 223.6 secs Computing kpt #: 344 total cpu time spent up to now is 224.3 secs Computing kpt #: 345 total cpu time spent up to now is 224.9 secs Computing kpt #: 346 total cpu time spent up to now is 225.5 secs Computing kpt #: 347 total cpu time spent up to now is 226.1 secs Computing kpt #: 348 total cpu time spent up to now is 226.6 secs Computing kpt #: 349 total cpu time spent up to now is 227.2 secs Computing kpt #: 350 total cpu time spent up to now is 227.8 secs Computing kpt #: 351 total cpu time spent up to now is 228.3 secs Computing kpt #: 352 total cpu time spent up to now is 228.9 secs Computing kpt #: 353 total cpu time spent up to now is 229.5 secs Computing kpt #: 354 total cpu time spent up to now is 230.1 secs ethr = 2.78E-08, avg # of iterations = 23.7 total cpu time spent up to now is 230.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7590 -8.7590 -8.7590 -8.7590 -7.7457 -7.7457 -7.7251 -7.7251 -7.7251 -7.7251 3.0560 3.0560 10.5257 10.5257 10.5421 10.5421 10.5421 10.5421 10.7083 10.7083 10.7083 10.7083 11.3599 11.3599 11.4719 11.4719 11.4719 11.4719 14.2191 14.2191 14.2191 14.2191 16.5265 16.5265 18.6351 18.6351 k = 0.0094-0.0054 0.0077 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7592 -8.7592 -8.7588 -8.7588 -7.7457 -7.7457 -7.7253 -7.7253 -7.7248 -7.7248 3.0575 3.0575 10.5144 10.5144 10.5361 10.5361 10.5537 10.5537 10.6969 10.6969 10.7240 10.7240 11.3595 11.3595 11.4694 11.4694 11.4735 11.4735 14.2176 14.2176 14.2189 14.2189 16.5296 16.5296 18.6300 18.6300 k = 0.0189-0.0109 0.0154 ( 4280 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7595 -8.7595 -8.7585 -8.7585 -7.7457 -7.7457 -7.7256 -7.7256 -7.7246 -7.7246 3.0620 3.0620 10.4887 10.4887 10.5364 10.5364 10.5627 10.5627 10.6899 10.6899 10.7431 10.7431 11.3583 11.3583 11.4662 11.4662 11.4744 11.4744 14.2138 14.2138 14.2181 14.2181 16.5391 16.5391 18.6144 18.6144 k = 0.0283-0.0163 0.0231 ( 4280 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1223 -20.1223 -20.1222 -20.1222 -8.7597 -8.7597 -8.7583 -8.7583 -7.7457 -7.7457 -7.7258 -7.7258 -7.7243 -7.7243 3.0696 3.0696 10.4554 10.4554 10.5384 10.5384 10.5696 10.5696 10.6865 10.6865 10.7639 10.7639 11.3562 11.3562 11.4621 11.4621 11.4746 11.4746 14.2073 14.2073 14.2167 14.2167 16.5546 16.5546 18.5873 18.5873 k = 0.0377-0.0218 0.0308 ( 4280 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1223 -20.1223 -20.1222 -20.1222 -8.7600 -8.7600 -8.7581 -8.7581 -7.7458 -7.7458 -7.7260 -7.7260 -7.7240 -7.7240 3.0803 3.0803 10.4165 10.4165 10.5414 10.5414 10.5754 10.5754 10.6857 10.6857 10.7850 10.7850 11.3534 11.3534 11.4574 11.4574 11.4742 11.4742 14.1983 14.1983 14.2148 14.2148 16.5760 16.5760 18.5474 18.5474 k = 0.0472-0.0272 0.0385 ( 4280 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1224 -20.1224 -20.1222 -20.1222 -8.7602 -8.7602 -8.7579 -8.7579 -7.7459 -7.7459 -7.7263 -7.7263 -7.7238 -7.7238 3.0939 3.0939 10.3730 10.3730 10.5453 10.5453 10.5809 10.5809 10.6867 10.6867 10.8056 10.8056 11.3498 11.3498 11.4520 11.4520 11.4731 11.4731 14.1866 14.1866 14.2123 14.2123 16.6026 16.6026 18.4940 18.4940 k = 0.0566-0.0327 0.0462 ( 4280 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1225 -20.1225 -20.1222 -20.1222 -8.7605 -8.7605 -8.7578 -8.7578 -7.7460 -7.7460 -7.7265 -7.7265 -7.7235 -7.7235 3.1105 3.1105 10.3257 10.3257 10.5500 10.5500 10.5867 10.5867 10.6891 10.6891 10.8250 10.8250 11.3457 11.3457 11.4462 11.4462 11.4716 11.4716 14.1722 14.1722 14.2093 14.2093 16.6340 16.6340 18.4272 18.4272 k = 0.0660-0.0381 0.0539 ( 4288 PWs) bands (ev): -43.9902 -43.9902 -20.7701 -20.7701 -20.1226 -20.1226 -20.1223 -20.1223 -8.7607 -8.7607 -8.7576 -8.7576 -7.7461 -7.7461 -7.7267 -7.7267 -7.7233 -7.7233 3.1302 3.1302 10.2750 10.2750 10.5556 10.5556 10.5928 10.5928 10.6926 10.6926 10.8428 10.8428 11.3410 11.3410 11.4400 11.4400 11.4697 11.4697 14.1552 14.1552 14.2058 14.2058 16.6695 16.6695 18.3480 18.3480 k = 0.0755-0.0436 0.0616 ( 4280 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1227 -20.1227 -20.1223 -20.1223 -8.7610 -8.7610 -8.7574 -8.7574 -7.7463 -7.7463 -7.7268 -7.7268 -7.7230 -7.7230 3.1528 3.1528 10.2216 10.2216 10.5619 10.5619 10.5995 10.5995 10.6970 10.6970 10.8586 10.8586 11.3360 11.3360 11.4335 11.4335 11.4674 11.4674 14.1353 14.1353 14.2017 14.2017 16.7083 16.7083 18.2580 18.2580 k = 0.0849-0.0490 0.0693 ( 4284 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1229 -20.1229 -20.1223 -20.1223 -8.7613 -8.7613 -8.7573 -8.7573 -7.7465 -7.7465 -7.7270 -7.7270 -7.7228 -7.7228 3.1783 3.1783 10.1656 10.1656 10.5690 10.5690 10.6068 10.6068 10.7023 10.7023 10.8724 10.8724 11.3307 11.3307 11.4271 11.4271 11.4648 11.4648 14.1127 14.1127 14.1971 14.1971 16.7497 16.7497 18.1591 18.1591 k = 0.0943-0.0545 0.0770 ( 4272 PWs) bands (ev): -43.9902 -43.9902 -20.7703 -20.7703 -20.1230 -20.1230 -20.1223 -20.1223 -8.7615 -8.7615 -8.7571 -8.7571 -7.7467 -7.7467 -7.7271 -7.7271 -7.7225 -7.7225 3.2068 3.2068 10.1074 10.1074 10.5769 10.5769 10.6148 10.6148 10.7084 10.7084 10.8840 10.8840 11.3253 11.3253 11.4207 11.4207 11.4621 11.4621 14.0872 14.0872 14.1920 14.1920 16.7927 16.7927 18.0530 18.0530 k = 0.1038-0.0599 0.0847 ( 4280 PWs) bands (ev): -43.9902 -43.9902 -20.7704 -20.7704 -20.1232 -20.1232 -20.1224 -20.1224 -8.7618 -8.7618 -8.7570 -8.7570 -7.7469 -7.7469 -7.7272 -7.7272 -7.7223 -7.7223 3.2381 3.2381 10.0474 10.0474 10.5854 10.5854 10.6234 10.6234 10.7152 10.7152 10.8934 10.8934 11.3199 11.3199 11.4145 11.4145 11.4593 11.4593 14.0588 14.0588 14.1864 14.1864 16.8364 16.8364 17.9412 17.9412 k = 0.1132-0.0654 0.0924 ( 4272 PWs) bands (ev): -43.9901 -43.9901 -20.7705 -20.7705 -20.1234 -20.1234 -20.1224 -20.1224 -8.7621 -8.7621 -8.7569 -8.7569 -7.7471 -7.7471 -7.7273 -7.7273 -7.7221 -7.7221 3.2723 3.2723 9.9858 9.9858 10.5946 10.5946 10.6326 10.6326 10.7227 10.7227 10.9005 10.9005 11.3147 11.3147 11.4088 11.4088 11.4565 11.4565 14.0275 14.0275 14.1803 14.1803 16.8798 16.8798 17.8251 17.8251 k = 0.1226-0.0708 0.1001 ( 4272 PWs) bands (ev): -43.9901 -43.9901 -20.7706 -20.7706 -20.1236 -20.1236 -20.1225 -20.1225 -8.7624 -8.7624 -8.7568 -8.7568 -7.7473 -7.7473 -7.7274 -7.7274 -7.7219 -7.7219 3.3094 3.3094 9.9229 9.9229 10.6043 10.6043 10.6425 10.6425 10.7308 10.7308 10.9054 10.9054 11.3096 11.3096 11.4035 11.4035 11.4538 11.4538 13.9933 13.9933 14.1738 14.1738 16.9217 16.9217 17.7057 17.7057 k = 0.1321-0.0763 0.1078 ( 4272 PWs) bands (ev): -43.9901 -43.9901 -20.7707 -20.7707 -20.1238 -20.1238 -20.1225 -20.1225 -8.7627 -8.7627 -8.7567 -8.7567 -7.7476 -7.7476 -7.7275 -7.7275 -7.7217 -7.7217 3.3492 3.3492 9.8589 9.8589 10.6144 10.6144 10.6530 10.6530 10.7396 10.7396 10.9082 10.9082 11.3047 11.3047 11.3989 11.3989 11.4514 11.4514 13.9561 13.9561 14.1667 14.1667 16.9608 16.9608 17.5839 17.5839 k = 0.1415-0.0817 0.1155 ( 4276 PWs) bands (ev): -43.9900 -43.9900 -20.7708 -20.7708 -20.1240 -20.1240 -20.1225 -20.1225 -8.7629 -8.7629 -8.7567 -8.7567 -7.7479 -7.7479 -7.7275 -7.7275 -7.7216 -7.7216 3.3917 3.3917 9.7943 9.7943 10.6248 10.6248 10.6640 10.6640 10.7490 10.7490 10.9091 10.9091 11.3001 11.3001 11.3951 11.3951 11.4492 11.4492 13.9159 13.9159 14.1593 14.1593 16.9956 16.9956 17.4604 17.4604 k = 0.1509-0.0871 0.1232 ( 4260 PWs) bands (ev): -43.9900 -43.9900 -20.7709 -20.7709 -20.1243 -20.1243 -20.1226 -20.1226 -8.7632 -8.7632 -8.7566 -8.7566 -7.7482 -7.7482 -7.7276 -7.7276 -7.7214 -7.7214 3.4370 3.4370 9.7292 9.7292 10.6354 10.6354 10.6755 10.6755 10.7591 10.7591 10.9082 10.9082 11.2955 11.2955 11.3922 11.3922 11.4475 11.4475 13.8726 13.8726 14.1514 14.1514 17.0239 17.0239 17.3362 17.3362 k = 0.1604-0.0926 0.1309 ( 4264 PWs) bands (ev): -43.9900 -43.9900 -20.7711 -20.7711 -20.1245 -20.1245 -20.1226 -20.1226 -8.7635 -8.7635 -8.7566 -8.7566 -7.7485 -7.7485 -7.7276 -7.7276 -7.7212 -7.7212 3.4848 3.4848 9.6639 9.6639 10.6459 10.6459 10.6875 10.6875 10.7697 10.7697 10.9059 10.9059 11.2911 11.2911 11.3902 11.3902 11.4463 11.4463 13.8262 13.8262 14.1431 14.1431 17.0424 17.0424 17.2124 17.2124 k = 0.1698-0.0980 0.1387 ( 4272 PWs) bands (ev): -43.9899 -43.9899 -20.7712 -20.7712 -20.1248 -20.1248 -20.1227 -20.1227 -8.7638 -8.7638 -8.7565 -8.7565 -7.7488 -7.7488 -7.7276 -7.7276 -7.7211 -7.7211 3.5352 3.5352 9.5987 9.5987 10.6562 10.6562 10.6998 10.6998 10.7808 10.7808 10.9025 10.9025 11.2867 11.2867 11.3893 11.3893 11.4457 11.4457 13.7766 13.7766 14.1344 14.1344 17.0389 17.0389 17.0978 17.0978 k = 0.1792-0.1035 0.1464 ( 4264 PWs) bands (ev): -43.9899 -43.9899 -20.7713 -20.7713 -20.1250 -20.1250 -20.1227 -20.1227 -8.7640 -8.7640 -8.7565 -8.7565 -7.7492 -7.7492 -7.7276 -7.7276 -7.7210 -7.7210 3.5881 3.5881 9.5338 9.5338 10.6658 10.6658 10.7124 10.7124 10.7924 10.7924 10.8986 10.8986 11.2824 11.2824 11.3894 11.3894 11.4457 11.4457 13.7238 13.7238 14.1253 14.1253 16.9494 16.9494 17.0463 17.0463 k = 0.1887-0.1089 0.1541 ( 4264 PWs) bands (ev): -43.9899 -43.9899 -20.7715 -20.7715 -20.1253 -20.1253 -20.1228 -20.1228 -8.7643 -8.7643 -8.7565 -8.7565 -7.7495 -7.7495 -7.7276 -7.7276 -7.7209 -7.7209 3.6435 3.6435 9.4694 9.4694 10.6745 10.6745 10.7252 10.7252 10.8043 10.8043 10.8948 10.8948 11.2783 11.2783 11.3906 11.3906 11.4464 11.4464 13.6677 13.6677 14.1159 14.1159 16.8273 16.8273 16.9402 16.9402 k = 0.1981-0.1144 0.1618 ( 4256 PWs) bands (ev): -43.9898 -43.9898 -20.7716 -20.7716 -20.1256 -20.1256 -20.1228 -20.1228 -8.7646 -8.7646 -8.7565 -8.7565 -7.7499 -7.7499 -7.7276 -7.7276 -7.7208 -7.7208 3.7011 3.7011 9.4059 9.4059 10.6818 10.6818 10.7379 10.7379 10.8165 10.8165 10.8917 10.8917 11.2745 11.2745 11.3928 11.3928 11.4477 11.4477 13.6082 13.6082 14.1061 14.1061 16.7033 16.7033 16.8114 16.8114 k = 0.2075-0.1198 0.1695 ( 4260 PWs) bands (ev): -43.9898 -43.9898 -20.7717 -20.7717 -20.1258 -20.1258 -20.1229 -20.1229 -8.7648 -8.7648 -8.7566 -8.7566 -7.7502 -7.7502 -7.7275 -7.7275 -7.7207 -7.7207 3.7610 3.7610 9.3433 9.3433 10.6872 10.6872 10.7506 10.7506 10.8284 10.8284 10.8902 10.8902 11.2712 11.2712 11.3960 11.3960 11.4497 11.4497 13.5454 13.5454 14.0961 14.0961 16.5795 16.5795 16.6826 16.6826 k = 0.2170-0.1253 0.1772 ( 4260 PWs) bands (ev): -43.9897 -43.9897 -20.7719 -20.7719 -20.1261 -20.1261 -20.1229 -20.1229 -8.7651 -8.7651 -8.7566 -8.7566 -7.7506 -7.7506 -7.7275 -7.7275 -7.7207 -7.7207 3.8231 3.8231 9.2820 9.2820 10.6904 10.6904 10.7629 10.7629 10.8396 10.8396 10.8914 10.8914 11.2685 11.2685 11.4003 11.4003 11.4523 11.4523 13.4791 13.4791 14.0858 14.0858 16.4565 16.4565 16.5549 16.5549 k = 0.2264-0.1307 0.1849 ( 4248 PWs) bands (ev): -43.9897 -43.9897 -20.7720 -20.7720 -20.1264 -20.1264 -20.1230 -20.1230 -8.7653 -8.7653 -8.7567 -8.7567 -7.7510 -7.7510 -7.7274 -7.7274 -7.7206 -7.7206 3.8871 3.8871 9.2221 9.2221 10.6910 10.6910 10.7749 10.7749 10.8495 10.8495 10.8961 10.8961 11.2666 11.2666 11.4057 11.4057 11.4553 11.4553 13.4093 13.4093 14.0753 14.0753 16.3346 16.3346 16.4285 16.4285 k = 0.2358-0.1362 0.1926 ( 4256 PWs) bands (ev): -43.9897 -43.9897 -20.7722 -20.7722 -20.1267 -20.1267 -20.1230 -20.1230 -8.7656 -8.7656 -8.7568 -8.7568 -7.7513 -7.7513 -7.7274 -7.7274 -7.7206 -7.7206 3.9531 3.9531 9.1638 9.1638 10.6887 10.6887 10.7863 10.7863 10.8580 10.8580 10.9045 10.9045 11.2659 11.2659 11.4122 11.4122 11.4587 11.4587 13.3361 13.3361 14.0645 14.0645 16.2140 16.2140 16.3036 16.3036 k = 0.2453-0.1416 0.2003 ( 4256 PWs) bands (ev): -43.9896 -43.9896 -20.7723 -20.7723 -20.1270 -20.1270 -20.1231 -20.1231 -8.7658 -8.7658 -8.7569 -8.7569 -7.7517 -7.7517 -7.7274 -7.7274 -7.7206 -7.7206 4.0208 4.0208 9.1073 9.1073 10.6838 10.6838 10.7970 10.7970 10.8656 10.8656 10.9159 10.9159 11.2665 11.2665 11.4195 11.4195 11.4627 11.4627 13.2595 13.2595 14.0536 14.0536 16.0949 16.0949 16.1803 16.1803 k = 0.2547-0.1471 0.2080 ( 4256 PWs) bands (ev): -43.9896 -43.9896 -20.7725 -20.7725 -20.1273 -20.1273 -20.1231 -20.1231 -8.7660 -8.7660 -8.7570 -8.7570 -7.7521 -7.7521 -7.7273 -7.7273 -7.7205 -7.7205 4.0902 4.0902 9.0528 9.0528 10.6765 10.6765 10.8070 10.8070 10.8730 10.8730 10.9290 10.9290 11.2688 11.2688 11.4272 11.4272 11.4674 11.4674 13.1795 13.1795 14.0426 14.0426 15.9775 15.9775 16.0588 16.0588 k = 0.2642-0.1525 0.2157 ( 4256 PWs) bands (ev): -43.9895 -43.9895 -20.7726 -20.7726 -20.1276 -20.1276 -20.1232 -20.1232 -8.7662 -8.7662 -8.7571 -8.7571 -7.7524 -7.7524 -7.7273 -7.7273 -7.7205 -7.7205 4.1610 4.1610 9.0004 9.0004 10.6673 10.6673 10.8161 10.8161 10.8805 10.8805 10.9430 10.9430 11.2732 11.2732 11.4345 11.4345 11.4737 11.4737 13.0965 13.0965 14.0314 14.0314 15.8618 15.8618 15.9391 15.9391 k = 0.2736-0.1580 0.2234 ( 4248 PWs) bands (ev): -43.9895 -43.9895 -20.7728 -20.7728 -20.1278 -20.1278 -20.1233 -20.1233 -8.7664 -8.7664 -8.7572 -8.7572 -7.7528 -7.7528 -7.7273 -7.7273 -7.7205 -7.7205 4.2332 4.2332 8.9502 8.9502 10.6565 10.6565 10.8244 10.8244 10.8880 10.8880 10.9571 10.9571 11.2798 11.2798 11.4399 11.4399 11.4827 11.4827 13.0106 13.0106 14.0202 14.0202 15.7482 15.7482 15.8215 15.8215 k = 0.2830-0.1634 0.2311 ( 4248 PWs) bands (ev): -43.9895 -43.9895 -20.7729 -20.7729 -20.1281 -20.1281 -20.1233 -20.1233 -8.7666 -8.7666 -8.7574 -8.7574 -7.7532 -7.7532 -7.7273 -7.7273 -7.7205 -7.7205 4.3064 4.3064 8.9026 8.9026 10.6446 10.6446 10.8318 10.8318 10.8955 10.8955 10.9710 10.9710 11.2889 11.2889 11.4424 11.4424 11.4950 11.4950 12.9223 12.9223 14.0089 14.0089 15.6366 15.6366 15.7059 15.7059 k = 0.2925-0.1688 0.2388 ( 4260 PWs) bands (ev): -43.9894 -43.9894 -20.7731 -20.7731 -20.1284 -20.1284 -20.1234 -20.1234 -8.7668 -8.7668 -8.7575 -8.7575 -7.7535 -7.7535 -7.7273 -7.7273 -7.7205 -7.7205 4.3805 4.3805 8.8575 8.8575 10.6318 10.6318 10.8382 10.8382 10.9026 10.9026 10.9843 10.9843 11.3007 11.3007 11.4416 11.4416 11.5108 11.5108 12.8322 12.8322 13.9976 13.9976 15.5273 15.5273 15.5926 15.5926 k = 0.3019-0.1743 0.2465 ( 4260 PWs) bands (ev): -43.9894 -43.9894 -20.7732 -20.7732 -20.1287 -20.1287 -20.1234 -20.1234 -8.7670 -8.7670 -8.7577 -8.7577 -7.7538 -7.7538 -7.7273 -7.7273 -7.7205 -7.7205 4.4552 4.4552 8.8151 8.8151 10.6185 10.6185 10.8438 10.8438 10.9091 10.9091 10.9970 10.9970 11.3152 11.3152 11.4373 11.4373 11.5294 11.5294 12.7410 12.7410 13.9865 13.9865 15.4203 15.4203 15.4816 15.4816 k = 0.3113-0.1797 0.2542 ( 4256 PWs) bands (ev): -43.9893 -43.9893 -20.7734 -20.7734 -20.1289 -20.1289 -20.1235 -20.1235 -8.7671 -8.7671 -8.7579 -8.7579 -7.7542 -7.7542 -7.7273 -7.7273 -7.7205 -7.7205 4.5304 4.5304 8.7756 8.7756 10.6049 10.6049 10.8484 10.8484 10.9149 10.9149 11.0089 11.0089 11.3325 11.3325 11.4294 11.4294 11.5505 11.5505 12.6497 12.6497 13.9754 13.9754 15.3157 15.3158 15.3731 15.3731 k = 0.3208-0.1852 0.2619 ( 4256 PWs) bands (ev): -43.9893 -43.9893 -20.7735 -20.7735 -20.1292 -20.1292 -20.1235 -20.1235 -8.7673 -8.7673 -8.7581 -8.7581 -7.7545 -7.7545 -7.7273 -7.7273 -7.7204 -7.7204 4.6056 4.6056 8.7391 8.7391 10.5912 10.5912 10.8523 10.8523 10.9199 10.9199 11.0203 11.0203 11.3523 11.3523 11.4173 11.4173 11.5737 11.5737 12.5594 12.5594 13.9644 13.9644 15.2138 15.2138 15.2671 15.2671 k = 0.3302-0.1906 0.2696 ( 4244 PWs) bands (ev): -43.9893 -43.9893 -20.7736 -20.7736 -20.1295 -20.1295 -20.1236 -20.1236 -8.7674 -8.7674 -8.7583 -8.7583 -7.7548 -7.7548 -7.7274 -7.7274 -7.7204 -7.7204 4.6807 4.6807 8.7057 8.7057 10.5776 10.5776 10.8554 10.8554 10.9239 10.9239 11.0310 11.0310 11.3742 11.3742 11.4005 11.4005 11.5988 11.5988 12.4715 12.4715 13.9536 13.9536 15.1145 15.1145 15.1639 15.1639 k = 0.3396-0.1961 0.2773 ( 4244 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1297 -20.1297 -20.1236 -20.1236 -8.7675 -8.7675 -8.7585 -8.7585 -7.7551 -7.7551 -7.7274 -7.7274 -7.7204 -7.7204 4.7552 4.7552 8.6755 8.6755 10.5641 10.5641 10.8577 10.8577 10.9271 10.9271 11.0413 11.0413 11.3763 11.3763 11.3995 11.3995 11.6254 11.6254 12.3876 12.3876 13.9431 13.9431 15.0181 15.0181 15.0635 15.0635 k = 0.3491-0.2015 0.2850 ( 4256 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1299 -20.1299 -20.1237 -20.1237 -8.7676 -8.7676 -8.7587 -8.7587 -7.7553 -7.7553 -7.7275 -7.7275 -7.7204 -7.7204 4.8289 4.8289 8.6486 8.6486 10.5509 10.5509 10.8595 10.8595 10.9293 10.9293 11.0512 11.0512 11.3468 11.3468 11.4250 11.4250 11.6535 11.6535 12.3092 12.3092 13.9328 13.9328 14.9247 14.9247 14.9662 14.9662 k = 0.3585-0.2070 0.2927 ( 4256 PWs) bands (ev): -43.9892 -43.9892 -20.7740 -20.7740 -20.1302 -20.1302 -20.1237 -20.1237 -8.7677 -8.7677 -8.7589 -8.7589 -7.7556 -7.7556 -7.7276 -7.7276 -7.7203 -7.7203 4.9013 4.9013 8.6250 8.6250 10.5382 10.5382 10.8607 10.8607 10.9306 10.9306 11.0607 11.0607 11.3093 11.3093 11.4522 11.4522 11.6827 11.6827 12.2380 12.2380 13.9229 13.9229 14.8346 14.8346 14.8721 14.8721 k = 0.3679-0.2124 0.3004 ( 4260 PWs) bands (ev): -43.9891 -43.9891 -20.7741 -20.7741 -20.1304 -20.1304 -20.1237 -20.1237 -8.7678 -8.7678 -8.7591 -8.7591 -7.7558 -7.7558 -7.7277 -7.7277 -7.7203 -7.7203 4.9721 4.9721 8.6049 8.6049 10.5259 10.5259 10.8615 10.8615 10.9313 10.9313 11.0696 11.0696 11.2638 11.2638 11.4804 11.4804 11.7128 11.7128 12.1750 12.1750 13.9133 13.9133 14.7480 14.7480 14.7814 14.7814 k = 0.3774-0.2179 0.3081 ( 4276 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7742 -20.1306 -20.1306 -20.1238 -20.1238 -8.7679 -8.7679 -8.7593 -8.7593 -7.7561 -7.7561 -7.7278 -7.7278 -7.7203 -7.7203 5.0408 5.0408 8.5883 8.5883 10.5143 10.5143 10.8618 10.8618 10.9314 10.9314 11.0778 11.0778 11.2106 11.2106 11.5093 11.5093 11.7435 11.7435 12.1210 12.1210 13.9042 13.9042 14.6650 14.6650 14.6944 14.6944 k = 0.3868-0.2233 0.3158 ( 4284 PWs) bands (ev): -43.9891 -43.9891 -20.7743 -20.7743 -20.1308 -20.1308 -20.1238 -20.1238 -8.7680 -8.7680 -8.7595 -8.7595 -7.7563 -7.7563 -7.7279 -7.7279 -7.7202 -7.7202 5.1070 5.1070 8.5750 8.5750 10.5033 10.5033 10.8618 10.8618 10.9309 10.9309 11.0837 11.0837 11.1521 11.1521 11.5384 11.5384 11.7744 11.7744 12.0760 12.0760 13.8955 13.8955 14.5861 14.5861 14.6114 14.6114 k = 0.3962-0.2288 0.3235 ( 4292 PWs) bands (ev): -43.9890 -43.9890 -20.7744 -20.7744 -20.1310 -20.1310 -20.1239 -20.1239 -8.7680 -8.7680 -8.7597 -8.7597 -7.7565 -7.7565 -7.7281 -7.7281 -7.7202 -7.7202 5.1703 5.1703 8.5650 8.5650 10.4931 10.4931 10.8616 10.8616 10.9299 10.9299 11.0686 11.0686 11.1087 11.1087 11.5674 11.5674 11.8053 11.8053 12.0393 12.0393 13.8873 13.8873 14.5115 14.5115 14.5327 14.5327 k = 0.4057-0.2342 0.3312 ( 4280 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7745 -20.1311 -20.1311 -20.1239 -20.1239 -8.7681 -8.7681 -8.7599 -8.7599 -7.7567 -7.7567 -7.7282 -7.7282 -7.7201 -7.7201 5.2300 5.2300 8.5583 8.5583 10.4837 10.4837 10.8610 10.8610 10.9280 10.9280 11.0069 11.0069 11.1082 11.1082 11.5960 11.5960 11.8356 11.8356 12.0100 12.0100 13.8797 13.8797 14.4415 14.4415 14.4586 14.4586 k = 0.4151-0.2397 0.3389 ( 4272 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7746 -20.1313 -20.1313 -20.1239 -20.1239 -8.7681 -8.7681 -8.7601 -8.7601 -7.7568 -7.7568 -7.7283 -7.7283 -7.7201 -7.7201 5.2859 5.2859 8.5545 8.5545 10.4753 10.4753 10.8600 10.8600 10.9184 10.9184 10.9447 10.9447 11.1138 11.1138 11.6237 11.6237 11.8649 11.8649 11.9871 11.9871 13.8726 13.8726 14.3765 14.3765 14.3895 14.3895 k = 0.4245-0.2451 0.3466 ( 4272 PWs) bands (ev): -43.9890 -43.9890 -20.7747 -20.7747 -20.1314 -20.1314 -20.1239 -20.1239 -8.7681 -8.7681 -8.7603 -8.7603 -7.7570 -7.7570 -7.7284 -7.7284 -7.7200 -7.7200 5.3374 5.3374 8.5533 8.5533 10.4679 10.4679 10.8503 10.8503 10.8686 10.8686 10.9305 10.9305 11.1198 11.1198 11.6501 11.6501 11.8924 11.8924 11.9698 11.9698 13.8662 13.8662 14.3168 14.3168 14.3259 14.3259 k = 0.4340-0.2505 0.3543 ( 4264 PWs) bands (ev): -43.9890 -43.9890 -20.7747 -20.7747 -20.1315 -20.1315 -20.1240 -20.1240 -8.7681 -8.7681 -8.7604 -8.7604 -7.7571 -7.7571 -7.7285 -7.7285 -7.7200 -7.7200 5.3841 5.3841 8.5544 8.5544 10.4617 10.4617 10.7885 10.7885 10.8612 10.8612 10.9282 10.9282 11.1254 11.1254 11.6748 11.6748 11.9164 11.9164 11.9583 11.9583 13.8604 13.8604 14.2628 14.2628 14.2682 14.2682 k = 0.4434-0.2560 0.3620 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1316 -20.1316 -20.1240 -20.1240 -8.7681 -8.7681 -8.7606 -8.7606 -7.7572 -7.7572 -7.7286 -7.7286 -7.7200 -7.7200 5.4254 5.4254 8.5573 8.5573 10.4568 10.4568 10.7236 10.7236 10.8601 10.8601 10.9267 10.9267 11.1305 11.1305 11.6974 11.6974 11.9295 11.9295 11.9586 11.9586 13.8553 13.8553 14.2147 14.2147 14.2170 14.2170 k = 0.4528-0.2614 0.3697 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1317 -20.1317 -20.1240 -20.1240 -8.7681 -8.7681 -8.7607 -8.7607 -7.7573 -7.7573 -7.7287 -7.7287 -7.7199 -7.7199 5.4612 5.4612 8.5613 8.5613 10.4534 10.4534 10.6638 10.6638 10.8594 10.8594 10.9256 10.9256 11.1349 11.1349 11.7176 11.7176 11.9278 11.9278 11.9736 11.9736 13.8509 13.8509 14.1715 14.1715 14.1743 14.1743 k = 0.4623-0.2669 0.3774 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1318 -20.1318 -20.1240 -20.1240 -8.7682 -8.7682 -8.7608 -8.7608 -7.7574 -7.7574 -7.7287 -7.7287 -7.7199 -7.7199 5.4909 5.4909 8.5659 8.5659 10.4519 10.4519 10.6109 10.6109 10.8588 10.8588 10.9246 10.9246 11.1385 11.1385 11.7348 11.7348 11.9230 11.9230 11.9906 11.9906 13.8473 13.8473 14.1343 14.1343 14.1398 14.1398 k = 0.4717-0.2723 0.3851 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7609 -8.7609 -7.7574 -7.7574 -7.7288 -7.7288 -7.7199 -7.7199 5.5144 5.5144 8.5703 8.5703 10.4527 10.4527 10.5660 10.5660 10.8583 10.8583 10.9239 10.9239 11.1414 11.1414 11.7488 11.7488 11.9188 11.9188 12.0051 12.0051 13.8445 13.8445 14.1048 14.1048 14.1126 14.1126 k = 0.4811-0.2778 0.3928 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7610 -8.7610 -7.7575 -7.7575 -7.7288 -7.7288 -7.7199 -7.7199 5.5313 5.5313 8.5740 8.5740 10.4565 10.4565 10.5299 10.5299 10.8580 10.8580 10.9233 10.9233 11.1435 11.1435 11.7590 11.7590 11.9158 11.9158 12.0159 12.0159 13.8424 13.8424 14.0834 14.0834 14.0930 14.0930 k = 0.4906-0.2832 0.4005 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7610 -8.7610 -7.7575 -7.7575 -7.7289 -7.7289 -7.7198 -7.7198 5.5416 5.5416 8.5764 8.5764 10.4635 10.4635 10.5029 10.5029 10.8578 10.8578 10.9230 10.9230 11.1447 11.1447 11.7653 11.7653 11.9139 11.9139 12.0225 12.0225 13.8412 13.8412 14.0704 14.0704 14.0812 14.0812 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7610 -8.7610 -7.7575 -7.7575 -7.7289 -7.7289 -7.7198 -7.7198 5.5450 5.5450 8.5772 8.5772 10.4700 10.4700 10.4898 10.4898 10.8578 10.8578 10.9229 10.9229 11.1451 11.1451 11.7675 11.7675 11.9133 11.9133 12.0248 12.0248 13.8408 13.8408 14.0660 14.0660 14.0772 14.0772 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7610 -8.7610 -7.7575 -7.7575 -7.7289 -7.7289 -7.7198 -7.7198 5.5450 5.5450 8.5772 8.5772 10.4700 10.4700 10.4898 10.4898 10.8578 10.8578 10.9229 10.9229 11.1451 11.1451 11.7675 11.7675 11.9133 11.9133 12.0248 12.0248 13.8408 13.8408 14.0660 14.0660 14.0772 14.0772 k = 0.5000-0.2780 0.4158 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1240 -8.7683 -8.7680 -8.7614 -8.7606 -7.7576 -7.7574 -7.7293 -7.7284 -7.7201 -7.7196 5.5449 5.5457 8.5779 8.5791 10.4678 10.4687 10.4874 10.4877 10.8555 10.8603 10.9152 10.9302 11.1353 11.1490 11.7619 11.7619 11.9003 11.9210 12.0281 12.0459 13.8378 13.8416 14.0665 14.0667 14.0758 14.0798 k = 0.5000-0.2673 0.4234 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1240 -8.7685 -8.7679 -8.7618 -8.7602 -7.7577 -7.7573 -7.7298 -7.7280 -7.7203 -7.7194 5.5454 5.5470 8.5812 8.5834 10.4622 10.4641 10.4806 10.4812 10.8534 10.8632 10.9070 10.9372 11.1202 11.1471 11.7469 11.7489 11.8889 11.9159 12.0592 12.0828 13.8327 13.8402 14.0677 14.0685 14.0754 14.0835 k = 0.5000-0.2566 0.4309 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1241 -8.7686 -8.7677 -8.7622 -8.7597 -7.7577 -7.7572 -7.7302 -7.7276 -7.7205 -7.7191 5.5465 5.5488 8.5869 8.5903 10.4530 10.4561 10.4692 10.4702 10.8514 10.8665 10.8983 10.9440 11.1010 11.1402 11.7280 11.7328 11.8779 11.9023 12.1084 12.1306 13.8260 13.8371 14.0695 14.0712 14.0762 14.0883 k = 0.5000-0.2459 0.4385 ( 4254 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1318 -20.1242 -20.1241 -8.7688 -8.7676 -8.7626 -8.7593 -7.7578 -7.7571 -7.7307 -7.7272 -7.7207 -7.7188 5.5481 5.5513 8.5950 8.5996 10.4403 10.4449 10.4530 10.4546 10.8492 10.8702 10.8891 10.9506 11.0792 11.1297 11.7095 11.7168 11.8648 11.8842 12.1674 12.1863 13.8182 13.8325 14.0718 14.0741 14.0784 14.0938 k = 0.5000-0.2352 0.4460 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1318 -20.1318 -20.1242 -20.1241 -8.7689 -8.7674 -8.7630 -8.7589 -7.7578 -7.7569 -7.7312 -7.7269 -7.7210 -7.7186 5.5503 5.5543 8.6057 8.6115 10.4241 10.4302 10.4324 10.4343 10.8467 10.8740 10.8798 10.9572 11.0566 11.1170 11.6932 11.7022 11.8486 11.8630 12.2320 12.2477 13.8096 13.8270 14.0745 14.0765 14.0824 14.0999 k = 0.5000-0.2245 0.4536 ( 4242 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1318 -20.1317 -20.1243 -20.1242 -8.7691 -8.7673 -8.7634 -8.7584 -7.7579 -7.7568 -7.7317 -7.7265 -7.7212 -7.7183 5.5530 5.5578 8.6187 8.6259 10.4038 10.4058 10.4099 10.4135 10.8438 10.8692 10.8794 10.9639 11.0347 11.1037 11.6798 11.6894 11.8292 11.8392 12.3000 12.3130 13.8009 13.8211 14.0775 14.0790 14.0875 14.1062 k = 0.5000-0.2138 0.4612 ( 4250 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1317 -20.1316 -20.1243 -20.1242 -8.7693 -8.7671 -8.7637 -8.7580 -7.7579 -7.7566 -7.7321 -7.7262 -7.7214 -7.7180 5.5562 5.5617 8.6342 8.6427 10.3752 10.3767 10.3845 10.3931 10.8402 10.8596 10.8842 10.9707 11.0147 11.0909 11.6691 11.6785 11.8067 11.8131 12.3701 12.3808 13.7922 13.8153 14.0809 14.0818 14.0929 14.1125 k = 0.5000-0.2031 0.4687 ( 4254 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1317 -20.1316 -20.1244 -20.1243 -8.7694 -8.7670 -8.7640 -8.7576 -7.7579 -7.7565 -7.7326 -7.7259 -7.7216 -7.7178 5.5599 5.5661 8.6520 8.6619 10.3404 10.3430 10.3583 10.3698 10.8360 10.8502 10.8895 10.9776 10.9976 11.0794 11.6606 11.6691 11.7815 11.7852 12.4410 12.4499 13.7839 13.8098 14.0846 14.0849 14.0985 14.1186 k = 0.5000-0.1925 0.4763 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1316 -20.1315 -20.1245 -20.1243 -8.7696 -8.7669 -8.7643 -8.7572 -7.7579 -7.7563 -7.7330 -7.7256 -7.7218 -7.7175 5.5639 5.5709 8.6720 8.6836 10.3020 10.3052 10.3297 10.3436 10.8313 10.8413 10.8950 10.9825 10.9858 11.0698 11.6540 11.6609 11.7540 11.7559 12.5118 12.5193 13.7762 13.8049 14.0885 14.0887 14.1040 14.1246 k = 0.5000-0.1818 0.4838 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1315 -20.1314 -20.1246 -20.1244 -8.7698 -8.7667 -8.7645 -8.7568 -7.7579 -7.7561 -7.7335 -7.7254 -7.7220 -7.7172 5.5683 5.5760 8.6943 8.7076 10.2607 10.2641 10.2984 10.3148 10.8261 10.8332 10.9008 10.9722 10.9927 11.0621 11.6489 11.6534 11.7246 11.7258 12.5819 12.5883 13.7693 13.8006 14.0924 14.0930 14.1094 14.1302 k = 0.5000-0.1711 0.4914 ( 4254 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1314 -20.1313 -20.1247 -20.1245 -8.7700 -8.7666 -8.7647 -8.7565 -7.7579 -7.7559 -7.7339 -7.7251 -7.7222 -7.7169 5.5729 5.5814 8.7187 8.7339 10.2174 10.2208 10.2646 10.2834 10.8208 10.8259 10.9066 10.9638 11.0006 11.0566 11.6449 11.6453 11.6939 11.6964 12.6506 12.6561 13.7632 13.7971 14.0966 14.0975 14.1146 14.1356 k = 0.5000-0.1604 0.4990 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1314 -20.1312 -20.1248 -20.1246 -8.7702 -8.7664 -8.7649 -8.7561 -7.7579 -7.7557 -7.7343 -7.7249 -7.7223 -7.7166 5.5778 5.5870 8.7452 8.7624 10.1730 10.1761 10.2284 10.2495 10.8154 10.8194 10.9123 10.9576 11.0091 11.0530 11.6333 11.6418 11.6622 11.6711 12.7173 12.7222 13.7579 13.7944 14.1010 14.1023 14.1195 14.1408 k = 0.5000-0.1497 0.5065 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1313 -20.1311 -20.1249 -20.1247 -8.7704 -8.7663 -8.7651 -8.7558 -7.7579 -7.7556 -7.7347 -7.7247 -7.7225 -7.7164 5.5829 5.5927 8.7736 8.7932 10.1282 10.1304 10.1902 10.2133 10.8103 10.8137 10.9179 10.9530 11.0180 11.0515 11.6120 11.6288 11.6403 11.6557 12.7815 12.7859 13.7534 13.7924 14.1057 14.1071 14.1242 14.1456 k = 0.5000-0.1390 0.5141 ( 4270 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1312 -20.1310 -20.1251 -20.1248 -8.7706 -8.7662 -8.7653 -8.7555 -7.7578 -7.7554 -7.7351 -7.7245 -7.7227 -7.7161 5.5880 5.5985 8.8039 8.8261 10.0839 10.0846 10.1503 10.1750 10.8055 10.8087 10.9231 10.9498 11.0275 11.0520 11.5835 11.5964 11.6381 11.6480 12.8428 12.8468 13.7496 13.7911 14.1105 14.1121 14.1286 14.1502 k = 0.5000-0.1283 0.5217 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1311 -20.1308 -20.1252 -20.1249 -8.7708 -8.7660 -8.7654 -8.7552 -7.7578 -7.7552 -7.7354 -7.7244 -7.7229 -7.7159 5.5932 5.6042 8.8358 8.8610 10.0389 10.0407 10.1092 10.1350 10.8011 10.8044 10.9279 10.9476 11.0376 11.0544 11.5527 11.5637 11.6367 11.6434 12.9007 12.9045 13.7467 13.7904 14.1155 14.1171 14.1328 14.1545 k = 0.5000-0.1176 0.5292 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1310 -20.1307 -20.1253 -20.1250 -8.7710 -8.7659 -8.7655 -8.7549 -7.7578 -7.7550 -7.7358 -7.7242 -7.7230 -7.7156 5.5983 5.6099 8.8692 8.8979 9.9934 9.9991 10.0675 10.0934 10.7972 10.8007 10.9321 10.9461 11.0483 11.0588 11.5215 11.5311 11.6357 11.6402 12.9550 12.9586 13.7443 13.7901 14.1204 14.1220 14.1367 14.1585 k = 0.5000-0.1069 0.5368 ( 4266 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1309 -20.1306 -20.1254 -20.1251 -8.7712 -8.7658 -8.7656 -8.7546 -7.7577 -7.7549 -7.7361 -7.7241 -7.7232 -7.7154 5.6032 5.6154 8.9039 8.9366 9.9483 9.9597 10.0261 10.0507 10.7936 10.7975 10.9357 10.9450 11.0597 11.0651 11.4907 11.4991 11.6349 11.6376 13.0053 13.0089 13.7425 13.7903 14.1254 14.1269 14.1403 14.1623 k = 0.5000-0.0962 0.5443 ( 4266 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1308 -20.1305 -20.1256 -20.1252 -8.7714 -8.7657 -8.7657 -8.7544 -7.7577 -7.7547 -7.7364 -7.7240 -7.7233 -7.7152 5.6080 5.6207 8.9395 8.9771 9.9030 9.9228 9.9859 10.0073 10.7905 10.7947 10.9387 10.9444 11.0716 11.0732 11.4606 11.4677 11.6344 11.6356 13.0513 13.0549 13.7413 13.7908 14.1302 14.1315 14.1436 14.1658 k = 0.5000-0.0855 0.5519 ( 4266 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1307 -20.1303 -20.1257 -20.1253 -8.7715 -8.7658 -8.7656 -8.7542 -7.7577 -7.7546 -7.7366 -7.7239 -7.7235 -7.7150 5.6125 5.6256 8.9757 9.0190 9.8573 9.8888 9.9480 9.9637 10.7878 10.7924 10.9412 10.9440 11.0830 11.0843 11.4314 11.4372 11.6339 11.6340 13.0929 13.0965 13.7404 13.7915 14.1348 14.1359 14.1466 14.1690 k = 0.5000-0.0748 0.5595 ( 4268 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1306 -20.1302 -20.1258 -20.1254 -8.7717 -8.7658 -8.7655 -8.7540 -7.7577 -7.7544 -7.7368 -7.7238 -7.7236 -7.7148 5.6166 5.6302 9.0121 9.0623 9.8106 9.8579 9.9135 9.9206 10.7855 10.7904 10.9431 10.9438 11.0943 11.0976 11.4032 11.4076 11.6326 11.6337 13.1299 13.1336 13.7398 13.7923 14.1391 14.1400 14.1492 14.1720 k = 0.5000-0.0642 0.5670 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1305 -20.1301 -20.1259 -20.1255 -8.7718 -8.7659 -8.7655 -8.7538 -7.7576 -7.7543 -7.7370 -7.7238 -7.7237 -7.7147 5.6204 5.6343 9.0480 9.1067 9.7630 9.8304 9.8789 9.8832 10.7835 10.7887 10.9437 10.9446 11.1071 11.1115 11.3763 11.3792 11.6315 11.6335 13.1622 13.1659 13.7395 13.7932 14.1431 14.1436 14.1516 14.1746 k = 0.5000-0.0535 0.5746 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1304 -20.1300 -20.1260 -20.1255 -8.7719 -8.7659 -8.7654 -8.7537 -7.7576 -7.7542 -7.7372 -7.7238 -7.7237 -7.7146 5.6237 5.6379 9.0825 9.1516 9.7149 9.8058 9.8400 9.8573 10.7818 10.7873 10.9437 10.9457 11.1210 11.1260 11.3508 11.3521 11.6306 11.6334 13.1896 13.1934 13.7394 13.7941 14.1466 14.1469 14.1535 14.1769 k = 0.5000-0.0428 0.5821 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1303 -20.1299 -20.1261 -20.1256 -8.7720 -8.7659 -8.7653 -8.7536 -7.7576 -7.7541 -7.7374 -7.7238 -7.7236 -7.7144 5.6264 5.6409 9.1146 9.1966 9.6670 9.7831 9.8066 9.8361 10.7805 10.7862 10.9438 10.9465 11.1359 11.1408 11.3265 11.3269 11.6299 11.6333 13.2121 13.2160 13.7394 13.7949 14.1495 14.1496 14.1552 14.1788 k = 0.5000-0.0321 0.5897 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1303 -20.1298 -20.1262 -20.1257 -8.7721 -8.7660 -8.7653 -8.7535 -7.7576 -7.7541 -7.7375 -7.7239 -7.7236 -7.7144 5.6286 5.6433 9.1427 9.2402 9.6208 9.7596 9.7831 9.8197 10.7795 10.7854 10.9438 10.9471 11.1512 11.1556 11.3028 11.3049 11.6293 11.6333 13.2296 13.2336 13.7395 13.7955 14.1517 14.1521 14.1564 14.1803 k = 0.5000-0.0214 0.5973 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1263 -20.1257 -8.7722 -8.7660 -8.7653 -8.7534 -7.7576 -7.7540 -7.7375 -7.7239 -7.7236 -7.7143 5.6302 5.6451 9.1650 9.2803 9.5789 9.7376 9.7691 9.8079 10.7788 10.7848 10.9438 10.9475 11.1662 11.1695 11.2819 11.2859 11.6289 11.6333 13.2421 13.2462 13.7395 13.7960 14.1532 14.1539 14.1573 14.1815 k = 0.5000-0.0107 0.6048 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1263 -20.1257 -8.7722 -8.7660 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7240 -7.7236 -7.7143 5.6312 5.6461 9.1795 9.3113 9.5466 9.7225 9.7615 9.8008 10.7783 10.7845 10.9439 10.9478 11.1786 11.1806 11.2660 11.2717 11.6287 11.6333 13.2497 13.2538 13.7396 13.7964 14.1541 14.1550 14.1578 14.1821 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7660 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7240 -7.7236 -7.7142 5.6315 5.6465 9.1846 9.3238 9.5337 9.7171 9.7590 9.7984 10.7782 10.7844 10.9439 10.9478 11.1839 11.1852 11.2595 11.2662 11.6286 11.6333 13.2522 13.2563 13.7396 13.7965 14.1545 14.1554 14.1580 14.1824 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7660 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7240 -7.7236 -7.7142 5.6315 5.6465 9.1846 9.3238 9.5337 9.7171 9.7590 9.7984 10.7782 10.7844 10.9439 10.9478 11.1839 11.1852 11.2595 11.2662 11.6286 11.6333 13.2522 13.2563 13.7396 13.7965 14.1545 14.1554 14.1580 14.1824 k = 0.4934 0.0114 0.6124 ( 4255 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7661 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7241 -7.7235 -7.7143 5.6308 5.6458 9.1813 9.3168 9.5295 9.6996 9.7701 9.8209 10.7761 10.7858 10.9431 10.9486 11.1764 11.1880 11.2615 11.2725 11.6302 11.6346 13.2511 13.2553 13.7388 13.7955 14.1327 14.1432 14.1804 14.1970 k = 0.4868 0.0228 0.6124 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1263 -20.1257 -8.7722 -8.7662 -8.7650 -8.7534 -7.7576 -7.7540 -7.7375 -7.7243 -7.7233 -7.7143 5.6289 5.6439 9.1726 9.3001 9.5150 9.6647 9.8041 9.8656 10.7715 10.7879 10.9417 10.9498 11.1642 11.1882 11.2684 11.2880 11.6353 11.6390 13.2476 13.2523 13.7364 13.7924 14.1107 14.1234 14.2069 14.2219 k = 0.4803 0.0342 0.6124 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1262 -20.1257 -8.7721 -8.7664 -8.7648 -8.7535 -7.7575 -7.7540 -7.7375 -7.7245 -7.7230 -7.7143 5.6261 5.6409 9.1603 9.2783 9.4932 9.6268 9.8520 9.9168 10.7656 10.7892 10.9406 10.9506 11.1508 11.1856 11.2802 11.3083 11.6449 11.6479 13.2416 13.2473 13.7321 13.7870 14.0901 14.1044 14.2351 14.2497 k = 0.4737 0.0456 0.6124 ( 4253 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1303 -20.1298 -20.1262 -20.1257 -8.7721 -8.7666 -8.7645 -8.7535 -7.7575 -7.7540 -7.7374 -7.7247 -7.7228 -7.7144 5.6224 5.6371 9.1458 9.2540 9.4681 9.5894 9.9061 9.9698 10.7586 10.7892 10.9399 10.9511 11.1377 11.1814 11.2947 11.3306 11.6594 11.6631 13.2328 13.2400 13.7261 13.7794 14.0716 14.0873 14.2649 14.2794 k = 0.4671 0.0570 0.6124 ( 4253 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1303 -20.1299 -20.1261 -20.1256 -8.7720 -8.7668 -8.7643 -8.7536 -7.7575 -7.7541 -7.7373 -7.7249 -7.7226 -7.7145 5.6182 5.6328 9.1301 9.2286 9.4425 9.5535 9.9621 10.0222 10.7508 10.7877 10.9394 10.9515 11.1255 11.1764 11.3099 11.3529 11.6801 11.6862 13.2211 13.2302 13.7182 13.7695 14.0553 14.0728 14.2960 14.3105 k = 0.4605 0.0684 0.6124 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1303 -20.1299 -20.1261 -20.1256 -8.7720 -8.7670 -8.7640 -8.7538 -7.7575 -7.7541 -7.7371 -7.7252 -7.7223 -7.7146 5.6135 5.6280 9.1138 9.2030 9.4175 9.5194 10.0175 10.0726 10.7424 10.7846 10.9392 10.9519 11.1143 11.1711 11.3241 11.3735 11.7087 11.7179 13.2062 13.2172 13.7087 13.7576 14.0416 14.0612 14.3282 14.3428 k = 0.4539 0.0798 0.6124 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1304 -20.1300 -20.1260 -20.1255 -8.7719 -8.7672 -8.7637 -8.7539 -7.7575 -7.7541 -7.7370 -7.7254 -7.7221 -7.7147 5.6086 5.6229 9.0975 9.1777 9.3940 9.4876 10.0708 10.1201 10.7335 10.7798 10.9392 10.9525 11.1041 11.1657 11.3362 11.3911 11.7465 11.7585 13.1878 13.2007 13.6979 13.7442 14.0304 14.0524 14.3615 14.3763 k = 0.4474 0.0912 0.6124 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1304 -20.1300 -20.1259 -20.1255 -8.7718 -8.7674 -8.7633 -8.7541 -7.7575 -7.7541 -7.7368 -7.7256 -7.7218 -7.7148 5.6036 5.6177 9.0816 9.1531 9.3723 9.4580 10.1211 10.1643 10.7245 10.7733 10.9395 10.9534 11.0948 11.1604 11.3456 11.4052 11.7935 11.8077 13.1654 13.1801 13.6864 13.7298 14.0218 14.0463 14.3957 14.4109 k = 0.4408 0.1026 0.6124 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1301 -20.1258 -20.1254 -8.7717 -8.7677 -8.7630 -8.7542 -7.7574 -7.7542 -7.7366 -7.7259 -7.7216 -7.7149 5.5986 5.6125 9.0663 9.1297 9.3525 9.4309 10.1678 10.2047 10.7156 10.7655 10.9401 10.9546 11.0862 11.1552 11.3524 11.4157 11.8491 11.8648 13.1387 13.1550 13.6748 13.7152 14.0154 14.0425 14.4310 14.4464 k = 0.4342 0.1140 0.6124 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1301 -20.1257 -20.1254 -8.7716 -8.7679 -8.7626 -8.7544 -7.7574 -7.7542 -7.7364 -7.7261 -7.7214 -7.7150 5.5938 5.6075 9.0519 9.1078 9.3346 9.4063 10.2105 10.2413 10.7069 10.7565 10.9412 10.9560 11.0782 11.1503 11.3570 11.4234 11.9121 11.9285 13.1075 13.1250 13.6635 13.7010 14.0110 14.0406 14.4671 14.4828 k = 0.4276 0.1253 0.6124 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1302 -20.1257 -20.1253 -8.7715 -8.7681 -8.7623 -8.7547 -7.7574 -7.7542 -7.7362 -7.7263 -7.7212 -7.7152 5.5891 5.6027 9.0385 9.0874 9.3188 9.3842 10.2488 10.2745 10.6987 10.7466 10.9428 10.9576 11.0707 11.1456 11.3599 11.4288 11.9810 11.9977 13.0715 13.0898 13.6531 13.6877 14.0082 14.0400 14.5042 14.5202 k = 0.4211 0.1367 0.6124 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1302 -20.1256 -20.1253 -8.7714 -8.7683 -8.7619 -8.7549 -7.7574 -7.7543 -7.7360 -7.7265 -7.7210 -7.7153 5.5849 5.5983 9.0265 9.0690 9.3049 9.3648 10.2822 10.3045 10.6911 10.7361 10.9448 10.9593 11.0637 11.1412 11.3616 11.4324 12.0543 12.0709 13.0307 13.0494 13.6440 13.6755 14.0066 14.0405 14.5421 14.5584 k = 0.4145 0.1481 0.6124 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1302 -20.1255 -20.1252 -8.7713 -8.7685 -8.7616 -8.7551 -7.7574 -7.7543 -7.7358 -7.7267 -7.7208 -7.7154 5.5810 5.5943 9.0158 9.0527 9.2929 9.3480 10.3102 10.3320 10.6845 10.7253 10.9471 10.9610 11.0571 11.1372 11.3623 11.4349 12.1306 12.1470 12.9851 13.0039 13.6363 13.6649 14.0059 14.0416 14.5807 14.5973 k = 0.4079 0.1595 0.6124 ( 4263 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1303 -20.1254 -20.1252 -8.7712 -8.7686 -8.7613 -8.7553 -7.7574 -7.7543 -7.7356 -7.7269 -7.7206 -7.7155 5.5776 5.5908 9.0066 9.0385 9.2829 9.3337 10.3328 10.3568 10.6788 10.7147 10.9496 10.9628 11.0509 11.1337 11.3626 11.4365 12.2086 12.2247 12.9349 12.9535 13.6300 13.6558 14.0059 14.0430 14.6199 14.6368 k = 0.4013 0.1709 0.6124 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1254 -20.1252 -8.7711 -8.7688 -8.7610 -8.7556 -7.7574 -7.7544 -7.7354 -7.7271 -7.7205 -7.7156 5.5748 5.5878 8.9990 9.0267 9.2747 9.3221 10.3505 10.3785 10.6745 10.7044 10.9521 10.9645 11.0453 11.1307 11.3625 11.4375 12.2869 12.3027 12.8806 12.8987 13.6252 13.6484 14.0061 14.0444 14.6594 14.6766 k = 0.3947 0.1823 0.6124 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1253 -20.1252 -8.7710 -8.7689 -8.7607 -8.7557 -7.7574 -7.7544 -7.7353 -7.7272 -7.7203 -7.7157 5.5725 5.5855 8.9931 9.0174 9.2684 9.3131 10.3639 10.3963 10.6716 10.6949 10.9543 10.9661 11.0405 11.1282 11.3622 11.4382 12.3642 12.3796 12.8230 12.8402 13.6217 13.6426 14.0066 14.0458 14.6987 14.7161 k = 0.3882 0.1937 0.6124 ( 4255 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7709 -8.7690 -8.7605 -8.7559 -7.7574 -7.7544 -7.7352 -7.7273 -7.7202 -7.7158 5.5709 5.5838 8.9889 9.0107 9.2639 9.3067 10.3733 10.4096 10.6703 10.6867 10.9560 10.9675 11.0367 11.1264 11.3620 11.4385 12.4383 12.4530 12.7638 12.7797 13.6194 13.6384 14.0070 14.0469 14.7372 14.7545 k = 0.3816 0.2051 0.6124 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7709 -8.7691 -8.7604 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7158 5.5699 5.5827 8.9864 9.0065 9.2612 9.3028 10.3789 10.4178 10.6708 10.6804 10.9571 10.9684 11.0343 11.1253 11.3618 11.4387 12.5044 12.5162 12.7094 12.7219 13.6180 13.6359 14.0073 14.0476 14.7722 14.7887 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.3684 0.2127 0.6016 ( 4262 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1306 -20.1303 -20.1253 -20.1252 -8.7711 -8.7691 -8.7600 -8.7561 -7.7572 -7.7542 -7.7352 -7.7276 -7.7201 -7.7157 5.5625 5.5757 9.0189 9.0363 9.1894 9.2274 10.3480 10.3862 10.6858 10.6911 10.9578 10.9704 11.0333 11.1327 11.3585 11.4473 12.5811 12.5844 12.7233 12.7238 13.5979 13.6154 14.0192 14.0624 14.8499 14.8567 k = 0.3618 0.2089 0.5909 ( 4258 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1305 -20.1301 -20.1253 -20.1253 -8.7712 -8.7690 -8.7596 -8.7561 -7.7571 -7.7541 -7.7352 -7.7277 -7.7201 -7.7156 5.5530 5.5663 9.0364 9.0373 9.1537 9.1741 10.3158 10.3527 10.6996 10.7050 10.9584 10.9715 11.0326 11.1392 11.3579 11.4569 12.6203 12.6245 12.7626 12.7628 13.5772 13.5948 14.0326 14.0786 14.8417 14.8643 k = 0.3553 0.2051 0.5801 ( 4262 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7747 -20.1304 -20.1300 -20.1253 -20.1253 -8.7714 -8.7689 -8.7592 -8.7562 -7.7570 -7.7539 -7.7352 -7.7279 -7.7200 -7.7154 5.5406 5.5540 8.9896 9.0117 9.1687 9.1726 10.2844 10.3201 10.7130 10.7188 10.9592 10.9723 11.0312 11.1440 11.3599 11.4674 12.6588 12.6640 12.8039 12.8040 13.5554 13.5732 14.0476 14.0962 14.8330 14.8591 k = 0.3487 0.2013 0.5694 ( 4261 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7747 -20.1304 -20.1299 -20.1254 -20.1253 -8.7715 -8.7688 -8.7588 -8.7563 -7.7568 -7.7538 -7.7351 -7.7280 -7.7200 -7.7153 5.5250 5.5384 8.9278 8.9576 9.1990 9.2117 10.2539 10.2886 10.7258 10.7323 10.9601 10.9729 11.0292 11.1470 11.3643 11.4783 12.6966 12.7027 12.8475 12.8479 13.5327 13.5507 14.0639 14.1147 14.8246 14.8533 k = 0.3421 0.1975 0.5587 ( 4265 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1303 -20.1298 -20.1254 -20.1253 -8.7715 -8.7687 -8.7585 -8.7564 -7.7567 -7.7537 -7.7350 -7.7281 -7.7201 -7.7152 5.5059 5.5193 8.8670 8.8989 9.2407 9.2566 10.2245 10.2582 10.7378 10.7454 10.9613 10.9732 11.0266 11.1482 11.3709 11.4894 12.7337 12.7408 12.8941 12.8945 13.5089 13.5273 14.0811 14.1338 14.8170 14.8481 k = 0.3355 0.1937 0.5479 ( 4277 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7746 -20.1302 -20.1297 -20.1254 -20.1253 -8.7716 -8.7686 -8.7581 -8.7566 -7.7565 -7.7536 -7.7349 -7.7282 -7.7201 -7.7151 5.4831 5.4963 8.8107 8.8428 9.2867 9.3041 10.1962 10.2291 10.7491 10.7579 10.9626 10.9734 11.0234 11.1475 11.3792 11.5004 12.7700 12.7779 12.9440 12.9442 13.4841 13.5029 14.0988 14.1529 14.8111 14.8440 k = 0.3289 0.1899 0.5372 ( 4277 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7745 -20.1302 -20.1297 -20.1254 -20.1253 -8.7716 -8.7685 -8.7577 -8.7568 -7.7563 -7.7535 -7.7348 -7.7283 -7.7202 -7.7150 5.4564 5.4693 8.7602 8.7919 9.3350 9.3531 10.1692 10.2013 10.7595 10.7698 10.9641 10.9735 11.0197 11.1453 11.3888 11.5110 12.8055 12.8140 12.9972 12.9974 13.4585 13.4778 14.1167 14.1715 14.8075 14.8418 k = 0.3224 0.1861 0.5264 ( 4269 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7745 -20.1301 -20.1296 -20.1253 -20.1252 -8.7715 -8.7684 -8.7574 -8.7569 -7.7561 -7.7534 -7.7346 -7.7284 -7.7203 -7.7149 5.4256 5.4382 8.7161 8.7470 9.3850 9.4033 10.1435 10.1749 10.7689 10.7810 10.9657 10.9735 11.0156 11.1417 11.3992 11.5210 12.8401 12.8490 13.0537 13.0545 13.4321 13.4522 14.1342 14.1889 14.8073 14.8424 k = 0.3158 0.1823 0.5157 ( 4269 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7744 -20.1300 -20.1295 -20.1253 -20.1252 -8.7715 -8.7682 -8.7572 -8.7570 -7.7559 -7.7533 -7.7345 -7.7284 -7.7204 -7.7148 5.3906 5.4027 8.6789 8.7087 9.4362 9.4543 10.1192 10.1498 10.7775 10.7914 10.9674 10.9734 11.0109 11.1370 11.4099 11.5301 12.8736 12.8827 13.1137 13.1152 13.4052 13.4263 14.1507 14.2043 14.8114 14.8463 k = 0.3092 0.1785 0.5049 ( 4269 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7744 -20.1300 -20.1294 -20.1252 -20.1251 -8.7714 -8.7681 -8.7574 -8.7567 -7.7557 -7.7532 -7.7343 -7.7285 -7.7205 -7.7148 5.3514 5.3630 8.6488 8.6773 9.4884 9.5059 10.0963 10.1263 10.7850 10.8011 10.9692 10.9732 11.0058 11.1314 11.4206 11.5383 12.9059 12.9149 13.1770 13.1792 13.3785 13.4010 14.1658 14.2170 14.8207 14.8545 k = 0.3026 0.1747 0.4942 ( 4269 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7743 -20.1299 -20.1294 -20.1252 -20.1250 -8.7712 -8.7680 -8.7576 -8.7563 -7.7554 -7.7532 -7.7340 -7.7285 -7.7207 -7.7147 5.3081 5.3191 8.6259 8.6531 9.5414 9.5580 10.0750 10.1042 10.7916 10.8099 10.9710 10.9730 11.0003 11.1249 11.4309 11.5453 12.9366 12.9450 13.2422 13.2447 13.3540 13.3787 14.1790 14.2266 14.8359 14.8676 k = 0.2961 0.1709 0.4835 ( 4265 PWs) bands (ev): -43.9891 -43.9890 -20.7743 -20.7742 -20.1298 -20.1293 -20.1251 -20.1249 -8.7711 -8.7678 -8.7579 -8.7560 -7.7552 -7.7531 -7.7338 -7.7285 -7.7208 -7.7146 5.2607 5.2710 8.6103 8.6361 9.5949 9.6103 10.0553 10.0837 10.7974 10.8179 10.9728 10.9728 10.9943 11.1179 11.4405 11.5510 12.9648 12.9724 13.2934 13.2994 13.3482 13.3723 14.1901 14.2328 14.8576 14.8861 k = 0.2895 0.1671 0.4727 ( 4261 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7742 -20.1298 -20.1292 -20.1250 -20.1248 -8.7709 -8.7677 -8.7582 -8.7557 -7.7549 -7.7531 -7.7335 -7.7285 -7.7210 -7.7146 5.2094 5.2191 8.6018 8.6261 9.6489 9.6625 10.0374 10.0647 10.8023 10.8252 10.9726 10.9744 10.9881 11.1103 11.4493 11.5553 12.9896 12.9959 13.2878 13.3063 13.4054 13.4198 14.1990 14.2356 14.8858 14.9105 k = 0.2829 0.1633 0.4620 ( 4265 PWs) bands (ev): -43.9891 -43.9891 -20.7741 -20.7741 -20.1297 -20.1291 -20.1249 -20.1247 -8.7706 -8.7675 -8.7584 -8.7554 -7.7546 -7.7530 -7.7333 -7.7285 -7.7212 -7.7146 5.1545 5.1635 8.6004 8.6232 9.7032 9.7144 10.0215 10.0474 10.8064 10.8316 10.9723 10.9752 10.9821 11.1022 11.4570 11.5582 13.0086 13.0135 13.2700 13.2934 13.4827 13.4952 14.2059 14.2356 14.9207 14.9409 k = 0.2763 0.1595 0.4512 ( 4265 PWs) bands (ev): -43.9892 -43.9891 -20.7741 -20.7740 -20.1296 -20.1291 -20.1248 -20.1246 -8.7704 -8.7674 -8.7587 -8.7552 -7.7544 -7.7530 -7.7330 -7.7285 -7.7214 -7.7145 5.0963 5.1046 8.6057 8.6270 9.7575 9.7654 10.0078 10.0319 10.8098 10.8373 10.9720 10.9720 10.9797 11.0938 11.4636 11.5596 13.0191 13.0226 13.2572 13.2833 13.5656 13.5777 14.2116 14.2334 14.9616 14.9771 k = 0.2697 0.1557 0.4405 ( 4263 PWs) bands (ev): -43.9892 -43.9891 -20.7740 -20.7739 -20.1295 -20.1290 -20.1247 -20.1245 -8.7701 -8.7672 -8.7590 -8.7549 -7.7541 -7.7529 -7.7327 -7.7285 -7.7216 -7.7145 5.0351 5.0427 8.6175 8.6373 9.8116 9.8147 9.9974 10.0183 10.8125 10.8424 10.9650 10.9717 10.9806 11.0850 11.4690 11.5595 13.0179 13.0209 13.2541 13.2815 13.6521 13.6635 14.2172 14.2303 15.0083 15.0191 k = 0.2632 0.1519 0.4297 ( 4259 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7738 -20.1294 -20.1289 -20.1246 -20.1243 -8.7698 -8.7671 -8.7593 -8.7547 -7.7538 -7.7529 -7.7324 -7.7285 -7.7218 -7.7145 4.9713 4.9781 8.6355 8.6538 9.8599 9.8647 9.9922 10.0074 10.8146 10.8467 10.9572 10.9714 10.9818 11.0760 11.4731 11.5579 13.0043 13.0079 13.2618 13.2891 13.7408 13.7504 14.2246 14.2277 15.0602 15.0665 k = 0.2566 0.1481 0.4190 ( 4263 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7737 -20.1293 -20.1288 -20.1244 -20.1242 -8.7694 -8.7669 -8.7595 -8.7544 -7.7535 -7.7528 -7.7321 -7.7285 -7.7220 -7.7145 4.9051 4.9114 8.6593 8.6763 9.8957 9.9146 9.9975 10.0011 10.8162 10.8504 10.9489 10.9710 10.9829 11.0667 11.4759 11.5549 12.9803 12.9852 13.2785 13.3049 13.8294 13.8351 14.2285 14.2371 15.1168 15.1188 k = 0.2500 0.1443 0.4082 ( 4259 PWs) bands (ev): -43.9893 -43.9892 -20.7737 -20.7736 -20.1292 -20.1287 -20.1243 -20.1241 -8.7691 -8.7667 -8.7598 -8.7542 -7.7532 -7.7528 -7.7317 -7.7284 -7.7222 -7.7146 4.8371 4.8427 8.6886 8.7043 9.9147 9.9509 10.0099 10.0206 10.8173 10.8536 10.9403 10.9706 10.9840 11.0573 11.4774 11.5504 12.9489 12.9553 13.3013 13.3265 13.9125 13.9134 14.2374 14.2603 15.1756 15.1777 k = 0.2434 0.1405 0.3975 ( 4259 PWs) bands (ev): -43.9893 -43.9893 -20.7736 -20.7735 -20.1290 -20.1286 -20.1242 -20.1240 -8.7687 -8.7666 -8.7601 -8.7541 -7.7529 -7.7527 -7.7314 -7.7284 -7.7224 -7.7146 4.7675 4.7725 8.7231 8.7375 9.9198 9.9599 10.0472 10.0585 10.8179 10.8562 10.9314 10.9702 10.9850 11.0478 11.4776 11.5445 12.9123 12.9201 13.3279 13.3520 13.9750 13.9844 14.2633 14.3021 15.2366 15.2423 k = 0.2368 0.1367 0.3868 ( 4267 PWs) bands (ev): -43.9893 -43.9893 -20.7735 -20.7734 -20.1289 -20.1285 -20.1241 -20.1239 -8.7683 -8.7664 -8.7603 -8.7539 -7.7526 -7.7526 -7.7311 -7.7284 -7.7226 -7.7147 4.6968 4.7012 8.7624 8.7755 9.9194 9.9581 10.0964 10.1025 10.8180 10.8583 10.9222 10.9698 10.9859 11.0383 11.4767 11.5374 12.8722 12.8812 13.3568 13.3800 14.0170 14.0319 14.3169 14.3679 15.3012 15.3103 k = 0.2303 0.1329 0.3760 ( 4261 PWs) bands (ev): -43.9894 -43.9893 -20.7734 -20.7733 -20.1287 -20.1283 -20.1240 -20.1237 -8.7679 -8.7663 -8.7606 -8.7537 -7.7525 -7.7522 -7.7307 -7.7284 -7.7228 -7.7147 4.6252 4.6292 8.8061 8.8180 9.9177 9.9550 10.1479 10.1483 10.8178 10.8598 10.9129 10.9694 10.9866 11.0290 11.4747 11.5291 12.8294 12.8396 13.3873 13.4096 14.0408 14.0553 14.3989 14.4561 15.3692 15.3813 k = 0.2237 0.1291 0.3653 ( 4273 PWs) bands (ev): -43.9894 -43.9894 -20.7732 -20.7732 -20.1286 -20.1282 -20.1239 -20.1236 -8.7674 -8.7661 -8.7608 -8.7536 -7.7524 -7.7519 -7.7304 -7.7284 -7.7231 -7.7148 4.5531 4.5566 8.8538 8.8647 9.9163 9.9526 10.1943 10.1997 10.8170 10.8608 10.9035 10.9689 10.9873 11.0198 11.4716 11.5197 12.7845 12.7957 13.4188 13.4403 14.0525 14.0636 14.5006 14.5604 15.4401 15.4551 k = 0.2171 0.1253 0.3545 ( 4269 PWs) bands (ev): -43.9894 -43.9894 -20.7731 -20.7731 -20.1284 -20.1280 -20.1237 -20.1235 -8.7670 -8.7659 -8.7610 -8.7535 -7.7523 -7.7516 -7.7300 -7.7284 -7.7233 -7.7149 4.4808 4.4839 8.9053 8.9152 9.9157 9.9513 10.2395 10.2510 10.8158 10.8612 10.8941 10.9685 10.9879 11.0110 11.4676 11.5094 12.7380 12.7501 13.4510 13.4717 14.0576 14.0646 14.6141 14.6756 15.5137 15.5312 k = 0.2105 0.1215 0.3438 ( 4263 PWs) bands (ev): -43.9895 -43.9894 -20.7730 -20.7730 -20.1282 -20.1279 -20.1236 -20.1234 -8.7666 -8.7658 -8.7612 -8.7534 -7.7522 -7.7513 -7.7297 -7.7284 -7.7235 -7.7150 4.4086 4.4113 8.9602 8.9692 9.9164 9.9515 10.2837 10.3016 10.8140 10.8610 10.8848 10.9679 10.9884 11.0027 11.4629 11.4982 12.6901 12.7031 13.4835 13.5036 14.0593 14.0623 14.7355 14.7984 15.5895 15.6095 k = 0.2039 0.1177 0.3330 ( 4271 PWs) bands (ev): -43.9895 -43.9895 -20.7729 -20.7728 -20.1280 -20.1277 -20.1235 -20.1233 -8.7661 -8.7656 -8.7614 -8.7533 -7.7520 -7.7510 -7.7293 -7.7284 -7.7237 -7.7152 4.3367 4.3390 9.0181 9.0263 9.9184 9.9532 10.3265 10.3511 10.8116 10.8602 10.8759 10.9674 10.9889 10.9950 11.4575 11.4864 12.6410 12.6549 13.5164 13.5358 14.0589 14.0593 14.8626 14.9272 15.6673 15.6896 k = 0.1974 0.1140 0.3223 ( 4271 PWs) bands (ev): -43.9895 -43.9895 -20.7727 -20.7727 -20.1278 -20.1275 -20.1234 -20.1232 -8.7657 -8.7654 -8.7615 -8.7533 -7.7519 -7.7507 -7.7290 -7.7284 -7.7238 -7.7153 4.2654 4.2674 9.0788 9.0862 9.9217 9.9564 10.3676 10.3994 10.8084 10.8586 10.8675 10.9667 10.9883 10.9893 11.4516 11.4741 12.5909 12.6056 13.5493 13.5682 14.0554 14.0588 14.9944 15.0607 15.7467 15.7712 k = 0.1908 0.1102 0.3116 ( 4267 PWs) bands (ev): -43.9896 -43.9895 -20.7726 -20.7726 -20.1276 -20.1273 -20.1233 -20.1231 -8.7653 -8.7652 -8.7617 -8.7533 -7.7517 -7.7505 -7.7286 -7.7285 -7.7240 -7.7155 4.1949 4.1967 9.1418 9.1486 9.9265 9.9611 10.4068 10.4462 10.8042 10.8564 10.8600 10.9656 10.9827 10.9897 11.4454 11.4615 12.5400 12.5555 13.5824 13.6006 14.0524 14.0582 15.1302 15.1984 15.8275 15.8540 k = 0.1842 0.1064 0.3008 ( 4267 PWs) bands (ev): -43.9896 -43.9896 -20.7725 -20.7724 -20.1273 -20.1271 -20.1232 -20.1230 -8.7651 -8.7647 -8.7618 -8.7533 -7.7515 -7.7502 -7.7285 -7.7283 -7.7242 -7.7157 4.1254 4.1270 9.2070 9.2131 9.9328 9.9673 10.4440 10.4914 10.7989 10.8535 10.8536 10.9639 10.9788 10.9900 11.4390 11.4487 12.4884 12.5048 13.6154 13.6331 14.0503 14.0582 15.2694 15.3397 15.9092 15.9376 k = 0.1776 0.1026 0.2901 ( 4267 PWs) bands (ev): -43.9896 -43.9896 -20.7723 -20.7723 -20.1271 -20.1269 -20.1231 -20.1230 -8.7650 -8.7643 -8.7619 -8.7533 -7.7513 -7.7499 -7.7285 -7.7279 -7.7244 -7.7159 4.0572 4.0585 9.2738 9.2794 9.9405 9.9752 10.4789 10.5346 10.7926 10.8484 10.8501 10.9613 10.9766 10.9903 11.4326 11.4360 12.4362 12.4535 13.6483 13.6654 14.0492 14.0588 15.4117 15.4842 15.9915 16.0217 k = 0.1711 0.0988 0.2793 ( 4263 PWs) bands (ev): -43.9897 -43.9897 -20.7722 -20.7722 -20.1269 -20.1267 -20.1231 -20.1229 -8.7648 -8.7639 -8.7619 -8.7533 -7.7511 -7.7496 -7.7285 -7.7276 -7.7245 -7.7161 3.9903 3.9914 9.3420 9.3473 9.9498 9.9845 10.5114 10.5755 10.7853 10.8447 10.8464 10.9579 10.9760 10.9906 11.4236 11.4264 12.3837 12.4018 13.6810 13.6976 14.0493 14.0602 15.5568 15.6317 16.0739 16.1058 k = 0.1645 0.0950 0.2686 ( 4285 PWs) bands (ev): -43.9897 -43.9897 -20.7721 -20.7720 -20.1266 -20.1264 -20.1230 -20.1228 -8.7646 -8.7634 -8.7620 -8.7533 -7.7508 -7.7494 -7.7286 -7.7273 -7.7246 -7.7163 3.9249 3.9259 9.4111 9.4163 9.9605 9.9955 10.5411 10.6133 10.7776 10.8425 10.8430 10.9541 10.9765 10.9909 11.4117 11.4206 12.3308 12.3498 13.7135 13.7295 14.0506 14.0625 15.7044 15.7817 16.1561 16.1893 k = 0.1579 0.0912 0.2578 ( 4273 PWs) bands (ev): -43.9897 -43.9897 -20.7719 -20.7719 -20.1264 -20.1262 -20.1229 -20.1227 -8.7645 -8.7630 -8.7620 -8.7534 -7.7506 -7.7491 -7.7286 -7.7270 -7.7248 -7.7165 3.8612 3.8620 9.4809 9.4860 9.9727 10.0080 10.5679 10.6470 10.7702 10.8403 10.8420 10.9501 10.9776 10.9913 11.4004 11.4153 12.2778 12.2977 13.7456 13.7610 14.0531 14.0658 15.8542 15.9341 16.2375 16.2718 k = 0.1513 0.0874 0.2471 ( 4269 PWs) bands (ev): -43.9898 -43.9898 -20.7718 -20.7718 -20.1261 -20.1260 -20.1228 -20.1227 -8.7643 -8.7626 -8.7620 -8.7535 -7.7503 -7.7489 -7.7286 -7.7267 -7.7249 -7.7168 3.7994 3.8000 9.5509 9.5561 9.9863 10.0221 10.5911 10.6747 10.7641 10.8390 10.8439 10.9458 10.9792 10.9919 11.3901 11.4107 12.2247 12.2457 13.7774 13.7922 14.0569 14.0701 16.0059 16.0886 16.3175 16.3526 k = 0.1447 0.0836 0.2364 ( 4277 PWs) bands (ev): -43.9898 -43.9898 -20.7717 -20.7716 -20.1258 -20.1257 -20.1228 -20.1226 -8.7642 -8.7622 -8.7619 -8.7536 -7.7500 -7.7486 -7.7286 -7.7264 -7.7250 -7.7171 3.7394 3.7400 9.6206 9.6262 10.0015 10.0377 10.6105 10.6933 10.7613 10.8400 10.8490 10.9412 10.9810 10.9930 11.3809 11.4070 12.1718 12.1938 13.8087 13.8229 14.0617 14.0753 16.1594 16.2447 16.3954 16.4307 k = 0.1382 0.0798 0.2256 ( 4277 PWs) bands (ev): -43.9899 -43.9898 -20.7715 -20.7715 -20.1256 -20.1255 -20.1227 -20.1226 -8.7640 -8.7619 -8.7618 -8.7537 -7.7498 -7.7484 -7.7286 -7.7262 -7.7251 -7.7174 3.6815 3.6820 9.6897 9.6958 10.0181 10.0549 10.6255 10.7006 10.7628 10.8438 10.8582 10.9362 10.9831 10.9951 11.3730 11.4042 12.1191 12.1422 13.8395 13.8531 14.0677 14.0813 16.3141 16.4014 16.4713 16.5052 k = 0.1316 0.0760 0.2149 ( 4281 PWs) bands (ev): -43.9899 -43.9899 -20.7714 -20.7714 -20.1253 -20.1253 -20.1227 -20.1225 -8.7639 -8.7618 -8.7615 -8.7539 -7.7495 -7.7482 -7.7286 -7.7259 -7.7253 -7.7177 3.6258 3.6262 9.7575 9.7644 10.0362 10.0738 10.6359 10.6987 10.7659 10.8510 10.8708 10.9307 10.9855 10.9991 11.3665 11.4023 12.0669 12.0911 13.8697 13.8827 14.0746 14.0882 16.4698 16.5332 16.5693 16.5751 k = 0.1250 0.0722 0.2041 ( 4269 PWs) bands (ev): -43.9899 -43.9899 -20.7713 -20.7713 -20.1251 -20.1250 -20.1226 -20.1225 -8.7637 -8.7617 -8.7611 -8.7540 -7.7492 -7.7480 -7.7286 -7.7257 -7.7253 -7.7180 3.5722 3.5726 9.8237 9.8316 10.0558 10.0944 10.6418 10.6923 10.7674 10.8615 10.8842 10.9246 10.9885 11.0063 11.3615 11.4014 12.0153 12.0407 13.8992 13.9116 14.0824 14.0957 16.6023 16.6221 16.6427 16.7255 k = 0.1184 0.0684 0.1934 ( 4283 PWs) bands (ev): -43.9900 -43.9899 -20.7711 -20.7711 -20.1248 -20.1248 -20.1226 -20.1224 -8.7635 -8.7616 -8.7608 -8.7542 -7.7489 -7.7478 -7.7286 -7.7255 -7.7254 -7.7183 3.5210 3.5213 9.8875 9.8968 10.0770 10.1168 10.6437 10.6838 10.7667 10.8742 10.8951 10.9181 10.9928 11.0185 11.3581 11.4015 11.9644 11.9910 13.9279 13.9397 14.0909 14.1039 16.6608 16.6921 16.7853 16.8861 k = 0.1118 0.0646 0.1826 ( 4281 PWs) bands (ev): -43.9900 -43.9900 -20.7710 -20.7710 -20.1246 -20.1245 -20.1225 -20.1224 -8.7634 -8.7614 -8.7605 -8.7544 -7.7486 -7.7476 -7.7286 -7.7255 -7.7253 -7.7187 3.4722 3.4724 9.9485 9.9593 10.0999 10.1412 10.6425 10.6745 10.7639 10.8873 10.9014 10.9112 10.9994 11.0363 11.3563 11.4025 11.9145 11.9424 13.9557 13.9669 14.1000 14.1125 16.7103 16.7385 16.9419 17.0475 k = 0.1053 0.0608 0.1719 ( 4281 PWs) bands (ev): -43.9900 -43.9900 -20.7709 -20.7709 -20.1243 -20.1243 -20.1225 -20.1224 -8.7632 -8.7613 -8.7602 -8.7546 -7.7483 -7.7474 -7.7285 -7.7256 -7.7252 -7.7190 3.4258 3.4260 10.0059 10.0183 10.1247 10.1680 10.6389 10.6649 10.7595 10.8958 10.9027 10.9068 11.0101 11.0593 11.3560 11.4043 11.8658 11.8949 13.9827 13.9932 14.1096 14.1215 16.7496 16.7738 17.0984 17.2089 k = 0.0987 0.0570 0.1612 ( 4277 PWs) bands (ev): -43.9901 -43.9900 -20.7708 -20.7708 -20.1241 -20.1241 -20.1224 -20.1223 -8.7630 -8.7611 -8.7600 -8.7548 -7.7480 -7.7472 -7.7284 -7.7256 -7.7250 -7.7194 3.3820 3.3821 10.0590 10.0731 10.1517 10.1974 10.6336 10.6553 10.7540 10.8910 10.8999 10.9112 11.0264 11.0860 11.3570 11.4067 11.8185 11.8489 14.0086 14.0185 14.1194 14.1307 16.7775 16.7970 17.2538 17.3698 k = 0.0921 0.0532 0.1504 ( 4281 PWs) bands (ev): -43.9901 -43.9901 -20.7707 -20.7707 -20.1239 -20.1239 -20.1224 -20.1223 -8.7628 -8.7610 -8.7598 -8.7550 -7.7477 -7.7470 -7.7283 -7.7257 -7.7249 -7.7197 3.3407 3.3408 10.1070 10.1230 10.1813 10.2298 10.6273 10.6458 10.7474 10.8820 10.8939 10.9144 11.0488 11.1153 11.3593 11.4096 11.7729 11.8045 14.0334 14.0426 14.1295 14.1400 16.7932 16.8081 17.4074 17.5294 k = 0.0855 0.0494 0.1397 ( 4275 PWs) bands (ev): -43.9901 -43.9901 -20.7706 -20.7706 -20.1237 -20.1237 -20.1224 -20.1223 -8.7626 -8.7608 -8.7596 -8.7552 -7.7475 -7.7469 -7.7282 -7.7257 -7.7248 -7.7201 3.3021 3.3022 10.1495 10.1675 10.2136 10.2653 10.6203 10.6366 10.7399 10.8719 10.8854 10.9138 11.0764 11.1461 11.3626 11.4128 11.7293 11.7620 14.0570 14.0656 14.1395 14.1492 16.7969 16.8076 17.5584 17.6868 k = 0.0789 0.0456 0.1289 ( 4275 PWs) bands (ev): -43.9901 -43.9901 -20.7705 -20.7705 -20.1235 -20.1235 -20.1223 -20.1223 -8.7623 -8.7607 -8.7594 -8.7555 -7.7472 -7.7467 -7.7281 -7.7257 -7.7247 -7.7205 3.2662 3.2662 10.1871 10.2074 10.2480 10.3028 10.6129 10.6278 10.7317 10.8609 10.8748 10.9098 11.1078 11.1776 11.3670 11.4163 11.6879 11.7215 14.0793 14.0873 14.1493 14.1583 16.7896 16.7967 17.7057 17.8406 k = 0.0724 0.0418 0.1182 ( 4267 PWs) bands (ev): -43.9902 -43.9902 -20.7704 -20.7704 -20.1233 -20.1233 -20.1223 -20.1222 -8.7621 -8.7605 -8.7592 -8.7558 -7.7470 -7.7466 -7.7279 -7.7257 -7.7247 -7.7209 3.2330 3.2330 10.2214 10.2437 10.2828 10.3409 10.6055 10.6195 10.7230 10.8493 10.8625 10.9028 11.1416 11.2092 11.3722 11.4200 11.6491 11.6835 14.1002 14.1075 14.1590 14.1672 16.7731 16.7774 17.8479 17.9883 k = 0.0658 0.0380 0.1074 ( 4277 PWs) bands (ev): -43.9902 -43.9902 -20.7703 -20.7703 -20.1231 -20.1231 -20.1223 -20.1222 -8.7619 -8.7603 -8.7591 -8.7560 -7.7467 -7.7464 -7.7278 -7.7257 -7.7246 -7.7213 3.2025 3.2026 10.2538 10.2778 10.3166 10.3783 10.5981 10.6118 10.7138 10.8371 10.8485 10.8933 11.1766 11.2400 11.3783 11.4236 11.6133 11.6481 14.1197 14.1264 14.1682 14.1756 16.7494 16.7518 17.9835 18.1254 k = 0.0592 0.0342 0.0967 ( 4281 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1229 -20.1229 -20.1223 -20.1222 -8.7616 -8.7602 -8.7590 -8.7563 -7.7465 -7.7463 -7.7276 -7.7257 -7.7246 -7.7217 3.1749 3.1749 10.2854 10.3106 10.3484 10.4137 10.5910 10.6046 10.7043 10.8244 10.8330 10.8814 11.2115 11.2690 11.3855 11.4273 11.5808 11.6155 14.1376 14.1437 14.1769 14.1835 16.7209 16.7220 18.1105 18.2432 k = 0.0526 0.0304 0.0859 ( 4275 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1228 -20.1228 -20.1223 -20.1222 -8.7613 -8.7600 -8.7589 -8.7566 -7.7463 -7.7462 -7.7274 -7.7257 -7.7246 -7.7221 3.1501 3.1501 10.3166 10.3424 10.3780 10.4466 10.5842 10.5981 10.6949 10.8111 10.8161 10.8674 11.2453 11.2951 11.3941 11.4309 11.5520 11.5861 14.1540 14.1593 14.1850 14.1908 16.6897 16.6902 18.2266 18.3348 k = 0.0461 0.0266 0.0752 ( 4285 PWs) bands (ev): -43.9902 -43.9902 -20.7701 -20.7701 -20.1226 -20.1226 -20.1222 -20.1222 -8.7611 -8.7599 -8.7588 -8.7569 -7.7462 -7.7461 -7.7271 -7.7256 -7.7246 -7.7225 3.1281 3.1281 10.3475 10.3734 10.4052 10.4765 10.5777 10.5921 10.6857 10.7975 10.7980 10.8512 11.2765 11.3168 11.4047 11.4347 11.5273 11.5600 14.1686 14.1733 14.1924 14.1975 16.6579 16.6579 18.3296 18.4064 k = 0.0395 0.0228 0.0645 ( 4281 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1225 -20.1225 -20.1222 -20.1222 -8.7608 -8.7597 -8.7588 -8.7572 -7.7460 -7.7460 -7.7269 -7.7256 -7.7246 -7.7229 3.1090 3.1090 10.3782 10.4035 10.4302 10.5029 10.5716 10.5868 10.6776 10.7792 10.7835 10.8332 11.3040 11.3333 11.4174 11.4388 11.5071 11.5374 14.1815 14.1855 14.1990 14.2033 16.6270 16.6270 18.4177 18.4661 k = 0.0329 0.0190 0.0537 ( 4281 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1224 -20.1224 -20.1222 -20.1222 -8.7605 -8.7596 -8.7588 -8.7575 -7.7459 -7.7459 -7.7266 -7.7255 -7.7247 -7.7233 3.0928 3.0928 10.4085 10.4322 10.4531 10.5250 10.5659 10.5820 10.6713 10.7600 10.7692 10.8134 11.3263 11.3446 11.4313 11.4437 11.4915 11.5184 14.1925 14.1959 14.2048 14.2083 16.5985 16.5987 18.4898 18.5170 k = 0.0263 0.0152 0.0430 ( 4281 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1223 -20.1223 -20.1222 -20.1222 -8.7602 -8.7594 -8.7588 -8.7578 -7.7458 -7.7458 -7.7264 -7.7254 -7.7248 -7.7236 3.0796 3.0796 10.4381 10.4589 10.4740 10.5417 10.5604 10.5772 10.6683 10.7414 10.7548 10.7924 11.3424 11.3518 11.4450 11.4499 11.4807 11.5030 14.2017 14.2044 14.2096 14.2124 16.5738 16.5739 18.5459 18.5592 k = 0.0197 0.0114 0.0322 ( 4281 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1223 -20.1223 -20.1222 -20.1222 -8.7599 -8.7593 -8.7588 -8.7581 -7.7457 -7.7457 -7.7261 -7.7254 -7.7248 -7.7240 3.0693 3.0693 10.4665 10.4828 10.4932 10.5516 10.5551 10.5720 10.6703 10.7249 10.7407 10.7707 11.3523 11.3560 11.4569 11.4570 11.4740 11.4909 14.2090 14.2110 14.2135 14.2156 16.5536 16.5537 18.5869 18.5922 k = 0.0132 0.0076 0.0215 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7596 -8.7592 -8.7589 -8.7584 -7.7457 -7.7457 -7.7257 -7.7253 -7.7249 -7.7244 3.0619 3.0619 10.4928 10.5029 10.5106 10.5496 10.5537 10.5652 10.6782 10.7126 10.7273 10.7489 11.3574 11.3584 11.4640 11.4656 11.4707 11.4820 14.2143 14.2157 14.2164 14.2178 16.5387 16.5387 18.6145 18.6160 k = 0.0066 0.0038 0.0107 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7593 -8.7591 -8.7589 -8.7587 -7.7457 -7.7457 -7.7254 -7.7252 -7.7250 -7.7247 3.0574 3.0574 10.5150 10.5182 10.5266 10.5440 10.5491 10.5557 10.6914 10.7068 10.7159 10.7278 11.3594 11.3596 11.4694 11.4702 11.4707 11.4758 14.2177 14.2183 14.2183 14.2190 16.5296 16.5296 18.6301 18.6303 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7590 -8.7590 -8.7590 -8.7590 -7.7457 -7.7457 -7.7251 -7.7251 -7.7251 -7.7251 3.0560 3.0560 10.5257 10.5257 10.5421 10.5421 10.5421 10.5421 10.7083 10.7083 10.7083 10.7083 11.3599 11.3599 11.4719 11.4719 11.4719 11.4719 14.2191 14.2191 14.2191 14.2191 16.5265 16.5265 18.6351 18.6351 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7590 -8.7590 -8.7590 -8.7590 -7.7457 -7.7457 -7.7251 -7.7251 -7.7251 -7.7251 3.0560 3.0560 10.5257 10.5257 10.5421 10.5421 10.5421 10.5421 10.7083 10.7083 10.7083 10.7083 11.3599 11.3599 11.4719 11.4719 11.4719 11.4719 14.2191 14.2191 14.2191 14.2191 16.5265 16.5265 18.6351 18.6351 k = 0.0109 0.0063 0.0044 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7593 -8.7590 -8.7590 -8.7587 -7.7457 -7.7457 -7.7254 -7.7251 -7.7251 -7.7247 3.0575 3.0575 10.5169 10.5169 10.5250 10.5467 10.5467 10.5560 10.6906 10.7115 10.7115 10.7284 11.3595 11.3595 11.4698 11.4698 11.4703 11.4761 14.2177 14.2183 14.2183 14.2189 16.5296 16.5296 18.6301 18.6301 k = 0.0217 0.0126 0.0089 ( 4279 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1222 -20.1222 -20.1222 -20.1222 -8.7596 -8.7590 -8.7590 -8.7583 -7.7457 -7.7457 -7.7258 -7.7251 -7.7251 -7.7243 3.0620 3.0620 10.5001 10.5001 10.5059 10.5515 10.5515 10.5640 10.6778 10.7207 10.7207 10.7495 11.3576 11.3576 11.4641 11.4641 11.4715 11.4829 14.2149 14.2159 14.2159 14.2171 16.5390 16.5390 18.6148 18.6148 k = 0.0326 0.0188 0.0133 ( 4282 PWs) bands (ev): -43.9903 -43.9903 -20.7699 -20.7699 -20.1223 -20.1223 -20.1222 -20.1222 -8.7599 -8.7591 -8.7591 -8.7580 -7.7457 -7.7457 -7.7261 -7.7251 -7.7251 -7.7240 3.0696 3.0696 10.4799 10.4799 10.4857 10.5529 10.5529 10.5633 10.6730 10.7344 10.7344 10.7706 11.3529 11.3529 11.4567 11.4567 11.4754 11.4923 14.2105 14.2121 14.2121 14.2139 16.5542 16.5542 18.5886 18.5886 k = 0.0435 0.0251 0.0177 ( 4282 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1223 -20.1223 -20.1222 -20.1222 -8.7602 -8.7591 -8.7591 -8.7577 -7.7458 -7.7458 -7.7264 -7.7251 -7.7251 -7.7236 3.0801 3.0801 10.4577 10.4577 10.4649 10.5510 10.5510 10.5533 10.6766 10.7511 10.7511 10.7913 11.3425 11.3425 11.4506 11.4506 11.4822 11.5042 14.2047 14.2067 14.2067 14.2092 16.5746 16.5746 18.5505 18.5505 k = 0.0543 0.0314 0.0222 ( 4282 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1224 -20.1224 -20.1222 -20.1222 -8.7605 -8.7592 -8.7592 -8.7574 -7.7459 -7.7459 -7.7267 -7.7251 -7.7251 -7.7232 3.0937 3.0937 10.4343 10.4343 10.4437 10.5368 10.5461 10.5461 10.6859 10.7693 10.7693 10.8111 11.3243 11.3243 11.4489 11.4489 11.4919 11.5186 14.1974 14.1999 14.1999 14.2030 16.5994 16.5994 18.4992 18.4992 k = 0.0652 0.0377 0.0266 ( 4282 PWs) bands (ev): -43.9903 -43.9903 -20.7700 -20.7700 -20.1225 -20.1225 -20.1222 -20.1222 -8.7608 -8.7593 -8.7593 -8.7571 -7.7460 -7.7460 -7.7269 -7.7251 -7.7251 -7.7228 3.1103 3.1103 10.4102 10.4102 10.4223 10.5170 10.5382 10.5382 10.6979 10.7880 10.7880 10.8297 11.2976 11.2976 11.4529 11.4529 11.5046 11.5355 14.1889 14.1917 14.1917 14.1955 16.6274 16.6274 18.4338 18.4338 k = 0.0761 0.0439 0.0311 ( 4276 PWs) bands (ev): -43.9902 -43.9902 -20.7701 -20.7701 -20.1227 -20.1227 -20.1222 -20.1222 -8.7611 -8.7594 -8.7594 -8.7568 -7.7461 -7.7461 -7.7272 -7.7252 -7.7252 -7.7224 3.1298 3.1298 10.3857 10.3857 10.4010 10.4954 10.5272 10.5272 10.7109 10.8064 10.8064 10.8470 11.2640 11.2640 11.4620 11.4620 11.5203 11.5548 14.1790 14.1823 14.1823 14.1868 16.6569 16.6569 18.3549 18.3549 k = 0.0870 0.0502 0.0355 ( 4285 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1228 -20.1228 -20.1222 -20.1222 -8.7614 -8.7595 -8.7595 -8.7565 -7.7463 -7.7463 -7.7274 -7.7252 -7.7252 -7.7219 3.1523 3.1523 10.3611 10.3611 10.3798 10.4731 10.5129 10.5129 10.7238 10.8238 10.8238 10.8628 11.2255 11.2255 11.4755 11.4755 11.5389 11.5764 14.1680 14.1716 14.1716 14.1768 16.6862 16.6862 18.2653 18.2653 k = 0.0978 0.0565 0.0399 ( 4273 PWs) bands (ev): -43.9902 -43.9902 -20.7702 -20.7702 -20.1230 -20.1230 -20.1223 -20.1222 -8.7616 -8.7596 -8.7596 -8.7562 -7.7464 -7.7464 -7.7276 -7.7252 -7.7252 -7.7215 3.1776 3.1776 10.3363 10.3363 10.3589 10.4506 10.4947 10.4947 10.7363 10.8398 10.8398 10.8770 11.1841 11.1841 11.4928 11.4928 11.5606 11.6004 14.1559 14.1599 14.1599 14.1658 16.7125 16.7125 18.1696 18.1696 k = 0.1087 0.0628 0.0444 ( 4270 PWs) bands (ev): -43.9902 -43.9902 -20.7703 -20.7703 -20.1231 -20.1231 -20.1223 -20.1222 -8.7619 -8.7598 -8.7598 -8.7559 -7.7466 -7.7466 -7.7278 -7.7252 -7.7252 -7.7211 3.2059 3.2059 10.3114 10.3114 10.3382 10.4282 10.4720 10.4720 10.7481 10.8540 10.8540 10.8895 11.1417 11.1417 11.5135 11.5135 11.5851 11.6266 14.1429 14.1472 14.1472 14.1538 16.7326 16.7326 18.0734 18.0734 k = 0.1196 0.0690 0.0488 ( 4282 PWs) bands (ev): -43.9902 -43.9902 -20.7704 -20.7704 -20.1233 -20.1233 -20.1223 -20.1222 -8.7621 -8.7599 -8.7599 -8.7556 -7.7468 -7.7468 -7.7279 -7.7253 -7.7253 -7.7207 3.2370 3.2370 10.2863 10.2863 10.3180 10.4060 10.4442 10.4442 10.7589 10.8658 10.8658 10.9004 11.1002 11.1002 11.5373 11.5373 11.6123 11.6549 14.1290 14.1336 14.1336 14.1409 16.7426 16.7426 17.9824 17.9824 k = 0.1304 0.0753 0.0532 ( 4282 PWs) bands (ev): -43.9901 -43.9901 -20.7705 -20.7705 -20.1235 -20.1235 -20.1223 -20.1222 -8.7623 -8.7601 -8.7601 -8.7554 -7.7470 -7.7470 -7.7280 -7.7253 -7.7253 -7.7203 3.2710 3.2710 10.2605 10.2605 10.2983 10.3843 10.4109 10.4109 10.7688 10.8747 10.8747 10.9096 11.0617 11.0617 11.5640 11.5640 11.6422 11.6852 14.1144 14.1193 14.1193 14.1273 16.7381 16.7381 17.9022 17.9022 k = 0.1413 0.0816 0.0577 ( 4294 PWs) bands (ev): -43.9901 -43.9901 -20.7706 -20.7706 -20.1238 -20.1238 -20.1223 -20.1222 -8.7625 -8.7603 -8.7603 -8.7551 -7.7472 -7.7472 -7.7281 -7.7254 -7.7254 -7.7200 3.3077 3.3077 10.2333 10.2333 10.2790 10.3630 10.3722 10.3722 10.7777 10.8798 10.8798 10.9173 11.0282 11.0282 11.5935 11.5935 11.6745 11.7175 14.0993 14.1045 14.1045 14.1131 16.7147 16.7147 17.8377 17.8377 k = 0.1522 0.0879 0.0621 ( 4282 PWs) bands (ev): -43.9901 -43.9901 -20.7707 -20.7707 -20.1240 -20.1240 -20.1223 -20.1222 -8.7626 -8.7605 -8.7605 -8.7549 -7.7474 -7.7474 -7.7282 -7.7254 -7.7254 -7.7196 3.3472 3.3472 10.2029 10.2029 10.2604 10.3294 10.3294 10.3423 10.7856 10.8803 10.8803 10.9235 11.0019 11.0019 11.6255 11.6255 11.7090 11.7516 14.0837 14.0892 14.0892 14.0984 16.6700 16.6700 17.7916 17.7916 k = 0.1630 0.0941 0.0666 ( 4285 PWs) bands (ev): -43.9900 -43.9900 -20.7708 -20.7708 -20.1242 -20.1242 -20.1223 -20.1222 -8.7628 -8.7607 -8.7607 -8.7547 -7.7476 -7.7476 -7.7282 -7.7255 -7.7255 -7.7192 3.3893 3.3893 10.1661 10.1661 10.2423 10.2857 10.2857 10.3223 10.7926 10.8755 10.8755 10.9284 10.9837 10.9837 11.6599 11.6599 11.7455 11.7873 14.0679 14.0736 14.0736 14.0835 16.6039 16.6039 17.7638 17.7638 k = 0.1739 0.1004 0.0710 ( 4285 PWs) bands (ev): -43.9900 -43.9900 -20.7709 -20.7709 -20.1245 -20.1245 -20.1223 -20.1222 -8.7629 -8.7609 -8.7609 -8.7545 -7.7478 -7.7478 -7.7282 -7.7255 -7.7255 -7.7189 3.4341 3.4341 10.1184 10.1184 10.2249 10.2461 10.2461 10.3028 10.7986 10.8662 10.8662 10.9320 10.9732 10.9732 11.6964 11.6964 11.7838 11.8245 14.0520 14.0579 14.0579 14.0684 16.5189 16.5189 17.7514 17.7514 k = 0.1848 0.1067 0.0754 ( 4279 PWs) bands (ev): -43.9900 -43.9900 -20.7710 -20.7710 -20.1248 -20.1248 -20.1223 -20.1222 -8.7630 -8.7611 -8.7611 -8.7544 -7.7481 -7.7481 -7.7282 -7.7256 -7.7256 -7.7186 3.4813 3.4813 10.0576 10.0576 10.2081 10.2133 10.2133 10.2841 10.8037 10.8548 10.8548 10.9345 10.9679 10.9679 11.7348 11.7348 11.8236 11.8631 14.0362 14.0422 14.0422 14.0533 16.4190 16.4190 17.7496 17.7496 k = 0.1957 0.1130 0.0799 ( 4285 PWs) bands (ev): -43.9899 -43.9899 -20.7711 -20.7711 -20.1250 -20.1250 -20.1224 -20.1222 -8.7631 -8.7614 -8.7614 -8.7542 -7.7483 -7.7483 -7.7282 -7.7257 -7.7257 -7.7183 3.5311 3.5311 9.9853 9.9853 10.1866 10.1866 10.1920 10.2660 10.8081 10.8434 10.8434 10.9360 10.9653 10.9653 11.7748 11.7748 11.8648 11.9028 14.0205 14.0267 14.0267 14.0384 16.3082 16.3082 17.7530 17.7530 k = 0.2065 0.1192 0.0843 ( 4285 PWs) bands (ev): -43.9899 -43.9899 -20.7713 -20.7713 -20.1253 -20.1253 -20.1224 -20.1222 -8.7632 -8.7616 -8.7616 -8.7541 -7.7486 -7.7486 -7.7281 -7.7257 -7.7257 -7.7180 3.5833 3.5833 9.9045 9.9045 10.1640 10.1640 10.1766 10.2486 10.8116 10.8332 10.8332 10.9364 10.9640 10.9640 11.8163 11.8163 11.9071 11.9435 14.0052 14.0115 14.0115 14.0239 16.1900 16.1900 17.7538 17.7538 k = 0.2174 0.1255 0.0887 ( 4273 PWs) bands (ev): -43.9899 -43.9899 -20.7714 -20.7714 -20.1256 -20.1256 -20.1224 -20.1223 -8.7632 -8.7618 -8.7618 -8.7540 -7.7488 -7.7488 -7.7280 -7.7258 -7.7258 -7.7177 3.6378 3.6378 9.8174 9.8174 10.1440 10.1440 10.1619 10.2320 10.8145 10.8245 10.8245 10.9361 10.9630 10.9630 11.8589 11.8589 11.9503 11.9850 13.9905 13.9969 13.9969 14.0098 16.0672 16.0672 17.7351 17.7351 k = 0.2283 0.1318 0.0932 ( 4275 PWs) bands (ev): -43.9898 -43.9898 -20.7715 -20.7715 -20.1259 -20.1259 -20.1224 -20.1223 -8.7632 -8.7621 -8.7621 -8.7539 -7.7490 -7.7490 -7.7279 -7.7259 -7.7259 -7.7174 3.6945 3.6945 9.7256 9.7256 10.1259 10.1259 10.1480 10.2160 10.8167 10.8175 10.8175 10.9349 10.9619 10.9619 11.9025 11.9025 11.9942 12.0271 13.9765 13.9829 13.9829 13.9964 15.9420 15.9420 17.6805 17.6805 k = 0.2391 0.1381 0.0976 ( 4269 PWs) bands (ev): -43.9898 -43.9898 -20.7717 -20.7717 -20.1262 -20.1262 -20.1224 -20.1223 -8.7632 -8.7623 -8.7623 -8.7538 -7.7493 -7.7493 -7.7277 -7.7260 -7.7260 -7.7172 3.7534 3.7534 9.6301 9.6301 10.1093 10.1093 10.1348 10.2008 10.8120 10.8120 10.8183 10.9331 10.9607 10.9607 11.9468 11.9468 12.0385 12.0696 13.9634 13.9697 13.9697 13.9839 15.8158 15.8158 17.6064 17.6064 k = 0.2500 0.1443 0.1021 ( 4263 PWs) bands (ev): -43.9898 -43.9898 -20.7718 -20.7718 -20.1264 -20.1264 -20.1224 -20.1223 -8.7632 -8.7626 -8.7626 -8.7538 -7.7495 -7.7495 -7.7275 -7.7261 -7.7261 -7.7170 3.8142 3.8142 9.5319 9.5319 10.0939 10.0939 10.1223 10.1863 10.8080 10.8080 10.8195 10.9306 10.9591 10.9591 11.9916 11.9916 12.0831 12.1123 13.9514 13.9575 13.9575 13.9723 15.6900 15.6900 17.5260 17.5260 k = 0.2609 0.1506 0.1065 ( 4263 PWs) bands (ev): -43.9897 -43.9897 -20.7719 -20.7719 -20.1267 -20.1267 -20.1224 -20.1223 -8.7632 -8.7628 -8.7628 -8.7538 -7.7498 -7.7498 -7.7273 -7.7262 -7.7262 -7.7168 3.8769 3.8769 9.4315 9.4315 10.0796 10.0796 10.1105 10.1724 10.8052 10.8052 10.8201 10.9276 10.9573 10.9573 12.0366 12.0366 12.1276 12.1550 13.9406 13.9465 13.9465 13.9619 15.5653 15.5653 17.4430 17.4430 k = 0.2717 0.1569 0.1109 ( 4263 PWs) bands (ev): -43.9897 -43.9897 -20.7720 -20.7720 -20.1270 -20.1270 -20.1224 -20.1223 -8.7631 -8.7631 -8.7631 -8.7538 -7.7500 -7.7500 -7.7271 -7.7263 -7.7263 -7.7167 3.9413 3.9413 9.3296 9.3296 10.0662 10.0662 10.0995 10.1593 10.8036 10.8036 10.8204 10.9241 10.9552 10.9552 12.0816 12.0816 12.1719 12.1975 13.9311 13.9367 13.9367 13.9528 15.4427 15.4427 17.3588 17.3588 k = 0.2826 0.1632 0.1154 ( 4257 PWs) bands (ev): -43.9897 -43.9897 -20.7722 -20.7722 -20.1273 -20.1273 -20.1224 -20.1223 -8.7633 -8.7633 -8.7630 -8.7538 -7.7502 -7.7502 -7.7268 -7.7264 -7.7264 -7.7166 4.0072 4.0072 9.2267 9.2267 10.0538 10.0538 10.0893 10.1469 10.8029 10.8029 10.8204 10.9201 10.9529 10.9529 12.1264 12.1264 12.2157 12.2395 13.9232 13.9283 13.9283 13.9452 15.3227 15.3227 17.2742 17.2742 k = 0.2935 0.1694 0.1198 ( 4257 PWs) bands (ev): -43.9896 -43.9896 -20.7723 -20.7723 -20.1276 -20.1276 -20.1225 -20.1223 -8.7636 -8.7636 -8.7629 -8.7538 -7.7505 -7.7505 -7.7266 -7.7265 -7.7265 -7.7165 4.0745 4.0745 9.1233 9.1233 10.0422 10.0422 10.0797 10.1351 10.8031 10.8031 10.8200 10.9158 10.9504 10.9504 12.1707 12.1707 12.2588 12.2809 13.9170 13.9215 13.9215 13.9391 15.2059 15.2059 17.1896 17.1896 k = 0.3043 0.1757 0.1242 ( 4269 PWs) bands (ev): -43.9896 -43.9896 -20.7724 -20.7724 -20.1278 -20.1278 -20.1225 -20.1223 -8.7638 -8.7638 -8.7628 -8.7539 -7.7507 -7.7507 -7.7266 -7.7266 -7.7263 -7.7164 4.1430 4.1430 9.0197 9.0197 10.0314 10.0314 10.0709 10.1240 10.8039 10.8039 10.8194 10.9111 10.9479 10.9479 12.2142 12.2142 12.3009 12.3213 13.9126 13.9164 13.9164 13.9348 15.0926 15.0926 17.1054 17.1054 k = 0.3152 0.1820 0.1287 ( 4272 PWs) bands (ev): -43.9896 -43.9896 -20.7725 -20.7725 -20.1281 -20.1281 -20.1225 -20.1224 -8.7641 -8.7641 -8.7626 -8.7540 -7.7509 -7.7509 -7.7267 -7.7267 -7.7260 -7.7163 4.2124 4.2124 8.9163 8.9163 10.0214 10.0214 10.0628 10.1135 10.8053 10.8053 10.8187 10.9062 10.9455 10.9455 12.2567 12.2567 12.3418 12.3605 13.9101 13.9130 13.9130 13.9322 14.9832 14.9832 17.0220 17.0220 k = 0.3261 0.1883 0.1331 ( 4272 PWs) bands (ev): -43.9895 -43.9895 -20.7727 -20.7727 -20.1284 -20.1284 -20.1225 -20.1224 -8.7643 -8.7643 -8.7625 -8.7541 -7.7511 -7.7511 -7.7268 -7.7268 -7.7256 -7.7163 4.2825 4.2825 8.8137 8.8137 10.0122 10.0122 10.0553 10.1037 10.8071 10.8071 10.8178 10.9010 10.9431 10.9431 12.2980 12.2980 12.3812 12.3983 13.9096 13.9115 13.9115 13.9316 14.8781 14.8781 16.9396 16.9396 k = 0.3370 0.1945 0.1376 ( 4272 PWs) bands (ev): -43.9895 -43.9895 -20.7728 -20.7728 -20.1286 -20.1286 -20.1225 -20.1224 -8.7645 -8.7645 -8.7623 -8.7542 -7.7513 -7.7513 -7.7269 -7.7269 -7.7253 -7.7163 4.3530 4.3530 8.7122 8.7122 10.0037 10.0037 10.0486 10.0945 10.8092 10.8092 10.8169 10.8956 10.9409 10.9409 12.3378 12.3378 12.4190 12.4345 13.9111 13.9118 13.9118 13.9329 14.7777 14.7777 16.8588 16.8588 k = 0.3478 0.2008 0.1420 ( 4272 PWs) bands (ev): -43.9895 -43.9895 -20.7729 -20.7729 -20.1289 -20.1289 -20.1225 -20.1224 -8.7647 -8.7647 -8.7621 -8.7544 -7.7515 -7.7515 -7.7270 -7.7270 -7.7249 -7.7164 4.4235 4.4235 8.6123 8.6123 9.9959 9.9959 10.0425 10.0858 10.8115 10.8115 10.8159 10.8901 10.9391 10.9391 12.3759 12.3759 12.4548 12.4689 13.9141 13.9141 13.9147 13.9360 14.6822 14.6822 16.7797 16.7797 k = 0.3587 0.2071 0.1464 ( 4272 PWs) bands (ev): -43.9894 -43.9894 -20.7730 -20.7730 -20.1291 -20.1291 -20.1225 -20.1224 -8.7649 -8.7649 -8.7618 -8.7545 -7.7517 -7.7517 -7.7271 -7.7271 -7.7246 -7.7164 4.4937 4.4937 8.5145 8.5145 9.9887 9.9887 10.0371 10.0777 10.8139 10.8139 10.8150 10.8845 10.9376 10.9376 12.4120 12.4120 12.4886 12.5013 13.9182 13.9182 13.9202 13.9411 14.5919 14.5919 16.7030 16.7030 k = 0.3696 0.2134 0.1509 ( 4260 PWs) bands (ev): -43.9894 -43.9894 -20.7731 -20.7731 -20.1293 -20.1293 -20.1225 -20.1224 -8.7651 -8.7651 -8.7616 -8.7547 -7.7518 -7.7518 -7.7272 -7.7272 -7.7242 -7.7165 4.5630 4.5630 8.4192 8.4192 9.9822 9.9822 10.0323 10.0702 10.8142 10.8161 10.8161 10.8789 10.9365 10.9365 12.4460 12.4460 12.5201 12.5314 13.9241 13.9241 13.9276 13.9478 14.5071 14.5071 16.6288 16.6288 k = 0.3804 0.2196 0.1553 ( 4260 PWs) bands (ev): -43.9894 -43.9894 -20.7732 -20.7732 -20.1295 -20.1295 -20.1225 -20.1224 -8.7653 -8.7653 -8.7613 -8.7549 -7.7520 -7.7520 -7.7273 -7.7273 -7.7238 -7.7166 4.6311 4.6311 8.3271 8.3271 9.9763 9.9763 10.0281 10.0632 10.8135 10.8182 10.8182 10.8733 10.9359 10.9359 12.4776 12.4776 12.5492 12.5593 13.9316 13.9316 13.9368 13.9561 14.4279 14.4279 16.5578 16.5578 k = 0.3913 0.2259 0.1597 ( 4254 PWs) bands (ev): -43.9894 -43.9894 -20.7733 -20.7733 -20.1297 -20.1297 -20.1225 -20.1224 -8.7655 -8.7655 -8.7611 -8.7551 -7.7521 -7.7521 -7.7274 -7.7274 -7.7234 -7.7168 4.6973 4.6973 8.2388 8.2388 9.9711 9.9711 10.0245 10.0568 10.8130 10.8200 10.8200 10.8678 10.9358 10.9358 12.5068 12.5068 12.5758 12.5847 13.9405 13.9405 13.9474 13.9657 14.3548 14.3548 16.4903 16.4903 k = 0.4022 0.2322 0.1642 ( 4254 PWs) bands (ev): -43.9893 -43.9893 -20.7733 -20.7733 -20.1299 -20.1299 -20.1225 -20.1224 -8.7656 -8.7656 -8.7608 -8.7554 -7.7522 -7.7522 -7.7275 -7.7275 -7.7230 -7.7169 4.7611 4.7611 8.1549 8.1549 9.9664 9.9664 10.0215 10.0508 10.8126 10.8216 10.8216 10.8623 10.9362 10.9362 12.5333 12.5333 12.5999 12.6076 13.9504 13.9504 13.9592 13.9763 14.2880 14.2880 16.4268 16.4268 k = 0.4130 0.2385 0.1686 ( 4263 PWs) bands (ev): -43.9893 -43.9893 -20.7734 -20.7734 -20.1300 -20.1300 -20.1225 -20.1225 -8.7658 -8.7658 -8.7605 -8.7556 -7.7524 -7.7524 -7.7275 -7.7275 -7.7226 -7.7171 4.8216 4.8216 8.0762 8.0762 9.9622 9.9622 10.0191 10.0453 10.8125 10.8227 10.8227 10.8570 10.9370 10.9370 12.5570 12.5570 12.6213 12.6279 13.9610 13.9610 13.9717 13.9875 14.2277 14.2277 16.3679 16.3679 k = 0.4239 0.2447 0.1731 ( 4257 PWs) bands (ev): -43.9893 -43.9893 -20.7735 -20.7735 -20.1302 -20.1302 -20.1225 -20.1225 -8.7659 -8.7659 -8.7602 -8.7559 -7.7525 -7.7525 -7.7276 -7.7276 -7.7222 -7.7174 4.8781 4.8781 8.0036 8.0036 9.9586 9.9586 10.0172 10.0403 10.8127 10.8236 10.8236 10.8519 10.9381 10.9381 12.5780 12.5780 12.6401 12.6458 13.9717 13.9717 13.9846 13.9989 14.1742 14.1742 16.3140 16.3140 k = 0.4348 0.2510 0.1775 ( 4257 PWs) bands (ev): -43.9893 -43.9893 -20.7735 -20.7735 -20.1303 -20.1303 -20.1225 -20.1225 -8.7660 -8.7660 -8.7599 -8.7562 -7.7526 -7.7526 -7.7277 -7.7277 -7.7218 -7.7176 4.9298 4.9298 7.9379 7.9379 9.9555 9.9555 10.0158 10.0358 10.8132 10.8242 10.8242 10.8470 10.9394 10.9394 12.5962 12.5962 12.6563 12.6610 13.9819 13.9819 13.9973 14.0100 14.1279 14.1279 16.2659 16.2659 k = 0.4457 0.2573 0.1819 ( 4263 PWs) bands (ev): -43.9893 -43.9893 -20.7736 -20.7736 -20.1304 -20.1304 -20.1225 -20.1225 -8.7661 -8.7661 -8.7596 -8.7564 -7.7526 -7.7526 -7.7277 -7.7277 -7.7214 -7.7179 4.9757 4.9757 7.8802 7.8802 9.9529 9.9529 10.0150 10.0317 10.8140 10.8245 10.8245 10.8423 10.9408 10.9408 12.6116 12.6116 12.6699 12.6738 13.9906 13.9906 14.0094 14.0203 14.0895 14.0895 16.2239 16.2239 k = 0.4565 0.2636 0.1864 ( 4275 PWs) bands (ev): -43.9893 -43.9893 -20.7736 -20.7736 -20.1305 -20.1305 -20.1225 -20.1225 -8.7662 -8.7662 -8.7593 -8.7567 -7.7527 -7.7527 -7.7277 -7.7277 -7.7210 -7.7181 5.0149 5.0149 7.8312 7.8312 9.9508 9.9508 10.0146 10.0281 10.8152 10.8247 10.8247 10.8379 10.9422 10.9422 12.6241 12.6241 12.6810 12.6841 13.9960 13.9960 14.0204 14.0293 14.0605 14.0605 16.1887 16.1887 k = 0.4674 0.2698 0.1908 ( 4287 PWs) bands (ev): -43.9893 -43.9893 -20.7737 -20.7737 -20.1305 -20.1305 -20.1225 -20.1225 -8.7662 -8.7662 -8.7590 -8.7570 -7.7527 -7.7527 -7.7278 -7.7278 -7.7206 -7.7184 5.0465 5.0465 7.7920 7.7920 9.9492 9.9492 10.0147 10.0248 10.8167 10.8248 10.8248 10.8338 10.9434 10.9434 12.6338 12.6338 12.6897 12.6919 13.9952 13.9952 14.0298 14.0365 14.0433 14.0433 16.1607 16.1607 k = 0.4783 0.2761 0.1952 ( 4287 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7586 -8.7574 -7.7528 -7.7528 -7.7278 -7.7278 -7.7202 -7.7188 5.0697 5.0697 7.7633 7.7633 9.9480 9.9480 10.0153 10.0221 10.8187 10.8248 10.8248 10.8300 10.9443 10.9443 12.6408 12.6408 12.6959 12.6974 13.9883 13.9883 14.0371 14.0376 14.0376 14.0417 16.1404 16.1404 k = 0.4891 0.2824 0.1997 ( 4299 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7583 -8.7577 -7.7528 -7.7528 -7.7278 -7.7278 -7.7198 -7.7191 5.0839 5.0839 7.7458 7.7458 9.9473 9.9473 10.0163 10.0197 10.8209 10.8248 10.8248 10.8266 10.9449 10.9449 12.6449 12.6449 12.6998 12.7005 13.9814 13.9814 14.0371 14.0371 14.0422 14.0445 16.1280 16.1280 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7580 -8.7580 -7.7528 -7.7528 -7.7278 -7.7278 -7.7195 -7.7195 5.0887 5.0887 7.7400 7.7400 9.9471 9.9471 10.0178 10.0178 10.8236 10.8236 10.8248 10.8248 10.9451 10.9451 12.6463 12.6463 12.7013 12.7013 13.9787 13.9787 14.0373 14.0373 14.0446 14.0446 16.1239 16.1239 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7580 -8.7580 -7.7528 -7.7528 -7.7278 -7.7278 -7.7195 -7.7195 5.0887 5.0887 7.7400 7.7400 9.9471 9.9471 10.0178 10.0178 10.8236 10.8236 10.8248 10.8248 10.9451 10.9451 12.6463 12.6463 12.7013 12.7013 13.9787 13.9787 14.0373 14.0373 14.0446 14.0446 16.1239 16.1239 k = 0.5038 0.2777 0.2103 ( 4292 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7664 -8.7662 -8.7580 -8.7580 -7.7528 -7.7528 -7.7279 -7.7278 -7.7194 -7.7194 5.0893 5.0898 7.7410 7.7419 9.9466 9.9473 10.0177 10.0178 10.8213 10.8229 10.8255 10.8279 10.9433 10.9471 12.6447 12.6455 12.7001 12.7002 13.9767 13.9771 14.0356 14.0363 14.0439 14.0442 16.1195 16.1200 k = 0.5076 0.2668 0.2165 ( 4290 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7666 -8.7662 -8.7580 -8.7580 -7.7529 -7.7527 -7.7280 -7.7277 -7.7194 -7.7194 5.0914 5.0925 7.7448 7.7466 9.9456 9.9473 10.0175 10.0177 10.8186 10.8224 10.8274 10.8315 10.9417 10.9493 12.6404 12.6423 12.6968 12.6972 13.9703 13.9720 14.0320 14.0321 14.0418 14.0432 16.1067 16.1079 k = 0.5114 0.2559 0.2227 ( 4288 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1226 -20.1226 -8.7667 -8.7661 -8.7580 -8.7579 -7.7530 -7.7527 -7.7282 -7.7277 -7.7194 -7.7193 5.0952 5.0968 7.7516 7.7543 9.9440 9.9468 10.0172 10.0179 10.8161 10.8224 10.8298 10.8354 10.9402 10.9515 12.6324 12.6356 12.6922 12.6932 13.9586 13.9627 14.0248 14.0271 14.0391 14.0416 16.0852 16.0872 k = 0.5152 0.2449 0.2289 ( 4288 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1305 -20.1226 -20.1226 -8.7669 -8.7661 -8.7579 -8.7579 -7.7530 -7.7527 -7.7284 -7.7278 -7.7193 -7.7193 5.1006 5.1027 7.7612 7.7648 9.9415 9.9457 10.0170 10.0187 10.8139 10.8229 10.8326 10.8394 10.9390 10.9540 12.6198 12.6245 12.6876 12.6895 13.9411 13.9485 14.0157 14.0199 14.0372 14.0396 16.0549 16.0579 k = 0.5189 0.2340 0.2351 ( 4280 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7737 -20.1306 -20.1305 -20.1227 -20.1227 -8.7671 -8.7661 -8.7579 -8.7578 -7.7531 -7.7527 -7.7286 -7.7278 -7.7192 -7.7191 5.1075 5.1102 7.7737 7.7782 9.9376 9.9436 10.0173 10.0202 10.8119 10.8239 10.8358 10.8437 10.9381 10.9565 12.6020 12.6080 12.6838 12.6868 13.9175 13.9286 14.0052 14.0103 14.0366 14.0375 16.0158 16.0200 k = 0.5227 0.2231 0.2412 ( 4277 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1305 -20.1228 -20.1228 -8.7673 -8.7661 -8.7579 -8.7578 -7.7532 -7.7527 -7.7289 -7.7279 -7.7192 -7.7190 5.1159 5.1192 7.7891 7.7945 9.9321 9.9402 10.0183 10.0230 10.8103 10.8254 10.8394 10.8480 10.9375 10.9591 12.5791 12.5860 12.6812 12.6850 13.8881 13.9025 13.9935 13.9984 14.0356 14.0372 15.9684 15.9739 k = 0.5265 0.2121 0.2474 ( 4277 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1228 -20.1228 -8.7676 -8.7662 -8.7578 -8.7577 -7.7533 -7.7527 -7.7292 -7.7279 -7.7191 -7.7189 5.1259 5.1297 7.8074 7.8137 9.9249 9.9350 10.0205 10.0269 10.8089 10.8274 10.8435 10.8524 10.9374 10.9619 12.5513 12.5588 12.6796 12.6841 13.8532 13.8704 13.9805 13.9845 14.0342 14.0385 15.9138 15.9205 k = 0.5303 0.2012 0.2536 ( 4275 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1229 -20.1229 -8.7678 -8.7663 -8.7578 -8.7576 -7.7534 -7.7527 -7.7295 -7.7280 -7.7190 -7.7187 5.1373 5.1416 7.8284 7.8357 9.9159 9.9278 10.0239 10.0322 10.8078 10.8298 10.8478 10.8567 10.9378 10.9647 12.5192 12.5268 12.6787 12.6838 13.8132 13.8327 13.9660 13.9688 14.0333 14.0405 15.8537 15.8614 k = 0.5341 0.1903 0.2598 ( 4276 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7738 -20.1306 -20.1304 -20.1231 -20.1230 -8.7680 -8.7664 -8.7578 -8.7575 -7.7535 -7.7528 -7.7298 -7.7281 -7.7190 -7.7185 5.1501 5.1549 7.8524 7.8605 9.9049 9.9185 10.0287 10.0388 10.8069 10.8326 10.8525 10.8609 10.9389 10.9676 12.4832 12.4904 12.6783 12.6839 13.7684 13.7898 13.9501 13.9516 14.0330 14.0429 15.7897 15.7983 k = 0.5379 0.1793 0.2660 ( 4274 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1232 -20.1232 -8.7683 -8.7665 -8.7577 -8.7574 -7.7536 -7.7528 -7.7301 -7.7282 -7.7189 -7.7183 5.1642 5.1696 7.8792 7.8882 9.8921 9.9070 10.0349 10.0466 10.8062 10.8355 10.8575 10.8649 10.9409 10.9706 12.4434 12.4500 12.6782 12.6843 13.7194 13.7422 13.9328 13.9329 14.0332 14.0458 15.7236 15.7328 k = 0.5417 0.1684 0.2722 ( 4282 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1233 -20.1233 -8.7685 -8.7666 -8.7577 -8.7573 -7.7538 -7.7528 -7.7305 -7.7282 -7.7189 -7.7181 5.1795 5.1855 7.9087 7.9186 9.8775 9.8935 10.0422 10.0555 10.8057 10.8384 10.8628 10.8688 10.9438 10.9737 12.4003 12.4057 12.6783 12.6849 13.6668 13.6904 13.9129 13.9141 14.0338 14.0489 15.6567 15.6665 k = 0.5455 0.1575 0.2784 ( 4280 PWs) bands (ev): -43.9892 -43.9892 -20.7740 -20.7739 -20.1305 -20.1302 -20.1234 -20.1234 -8.7688 -8.7667 -8.7577 -8.7572 -7.7539 -7.7529 -7.7308 -7.7283 -7.7188 -7.7179 5.1961 5.2026 7.9411 7.9519 9.8611 9.8779 10.0508 10.0655 10.8053 10.8411 10.8684 10.8726 10.9478 10.9768 12.3541 12.3577 12.6785 12.6856 13.6112 13.6351 13.8919 13.8944 14.0348 14.0524 15.5902 15.6004 k = 0.5492 0.1465 0.2845 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7740 -20.7740 -20.1305 -20.1302 -20.1236 -20.1236 -8.7690 -8.7669 -8.7577 -8.7571 -7.7541 -7.7529 -7.7312 -7.7284 -7.7188 -7.7177 5.2137 5.2207 7.9763 7.9879 9.8429 9.8602 10.0603 10.0765 10.8049 10.8431 10.8741 10.8766 10.9530 10.9800 12.3049 12.3064 12.6788 12.6864 13.5532 13.5770 13.8700 13.8738 14.0362 14.0560 15.5249 15.5356 k = 0.5530 0.1356 0.2907 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7741 -20.7740 -20.1304 -20.1301 -20.1237 -20.1237 -8.7693 -8.7670 -8.7577 -8.7570 -7.7543 -7.7529 -7.7315 -7.7284 -7.7188 -7.7175 5.2323 5.2398 8.0142 8.0267 9.8230 9.8405 10.0709 10.0883 10.8045 10.8441 10.8801 10.8811 10.9592 10.9832 12.2520 12.2532 12.6791 12.6871 13.4937 13.5167 13.8475 13.8524 14.0377 14.0598 15.4616 15.4727 k = 0.5568 0.1247 0.2969 ( 4279 PWs) bands (ev): -43.9891 -43.9891 -20.7741 -20.7741 -20.1304 -20.1301 -20.1239 -20.1238 -8.7695 -8.7671 -8.7578 -8.7569 -7.7544 -7.7530 -7.7319 -7.7285 -7.7188 -7.7173 5.2518 5.2599 8.0548 8.0682 9.8012 9.8188 10.0823 10.1010 10.8040 10.8439 10.8861 10.8862 10.9666 10.9865 12.1946 12.1991 12.6794 12.6878 13.4333 13.4553 13.8245 13.8306 14.0395 14.0637 15.4006 15.4122 k = 0.5606 0.1137 0.3031 ( 4283 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7741 -20.1304 -20.1300 -20.1240 -20.1240 -8.7697 -8.7673 -8.7578 -8.7568 -7.7546 -7.7530 -7.7322 -7.7285 -7.7189 -7.7171 5.2721 5.2806 8.0981 8.1123 9.7776 9.7950 10.0945 10.1145 10.8033 10.8423 10.8918 10.8924 10.9749 10.9898 12.1348 12.1431 12.6795 12.6883 13.3730 13.3933 13.8013 13.8085 14.0413 14.0677 15.3423 15.3545 k = 0.5644 0.1028 0.3093 ( 4279 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7742 -20.1304 -20.1300 -20.1242 -20.1241 -8.7700 -8.7675 -8.7579 -8.7567 -7.7548 -7.7531 -7.7325 -7.7285 -7.7189 -7.7169 5.2930 5.3020 8.1441 8.1590 9.7522 9.7693 10.1075 10.1288 10.8022 10.8394 10.8980 10.8986 10.9842 10.9932 12.0728 12.0854 12.6794 12.6886 13.3133 13.3316 13.7782 13.7863 14.0432 14.0717 15.2868 15.2997 k = 0.5682 0.0919 0.3155 ( 4273 PWs) bands (ev): -43.9891 -43.9891 -20.7743 -20.7742 -20.1303 -20.1300 -20.1243 -20.1243 -8.7702 -8.7676 -8.7579 -8.7566 -7.7550 -7.7531 -7.7329 -7.7285 -7.7189 -7.7167 5.3144 5.3239 8.1926 8.2083 9.7249 9.7414 10.1213 10.1437 10.8007 10.8353 10.9047 10.9049 10.9942 10.9965 12.0091 12.0265 12.6791 12.6885 13.2549 13.2710 13.7553 13.7644 14.0450 14.0755 15.2342 15.2479 k = 0.5720 0.0809 0.3217 ( 4269 PWs) bands (ev): -43.9891 -43.9890 -20.7743 -20.7743 -20.1303 -20.1299 -20.1244 -20.1244 -8.7703 -8.7678 -8.7580 -8.7565 -7.7552 -7.7532 -7.7332 -7.7285 -7.7190 -7.7165 5.3362 5.3462 8.2437 8.2601 9.6957 9.7115 10.1356 10.1593 10.7985 10.8300 10.9110 10.9116 10.9999 11.0050 11.9443 11.9671 12.6783 12.6880 13.1983 13.2120 13.7329 13.7430 14.0467 14.0792 15.1846 15.1992 k = 0.5758 0.0700 0.3278 ( 4268 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7743 -20.1303 -20.1299 -20.1246 -20.1246 -8.7705 -8.7679 -8.7581 -8.7565 -7.7554 -7.7533 -7.7334 -7.7285 -7.7191 -7.7164 5.3582 5.3686 8.2973 8.3143 9.6646 9.6795 10.1506 10.1755 10.7956 10.8236 10.9170 10.9186 11.0033 11.0165 11.8791 11.9076 12.6770 12.6870 13.1441 13.1552 13.7113 13.7224 14.0481 14.0826 15.1381 15.1537 k = 0.5795 0.0590 0.3340 ( 4268 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7744 -20.1303 -20.1299 -20.1247 -20.1247 -8.7707 -8.7680 -8.7582 -8.7564 -7.7556 -7.7533 -7.7337 -7.7284 -7.7192 -7.7162 5.3802 5.3911 8.3532 8.3708 9.6316 9.6454 10.1662 10.1922 10.7918 10.8161 10.9227 10.9256 11.0068 11.0284 11.8143 11.8489 12.6751 12.6852 13.0924 13.1011 13.6908 13.7027 14.0492 14.0855 15.0948 15.1113 k = 0.5833 0.0481 0.3402 ( 4270 PWs) bands (ev): -43.9891 -43.9890 -20.7745 -20.7744 -20.1303 -20.1299 -20.1248 -20.1248 -8.7708 -8.7682 -8.7583 -8.7563 -7.7558 -7.7534 -7.7340 -7.7284 -7.7192 -7.7161 5.4021 5.4134 8.4115 8.4294 9.5967 9.6092 10.1822 10.2095 10.7868 10.8074 10.9282 10.9324 11.0102 11.0408 11.7506 11.7916 12.6723 12.6825 13.0436 13.0499 13.6717 13.6844 14.0498 14.0878 15.0546 15.0722 k = 0.5871 0.0372 0.3464 ( 4267 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7744 -20.1303 -20.1299 -20.1249 -20.1249 -8.7709 -8.7683 -8.7585 -8.7563 -7.7560 -7.7535 -7.7342 -7.7283 -7.7193 -7.7160 5.4236 5.4353 8.4719 8.4900 9.5599 9.5709 10.1988 10.2272 10.7806 10.7977 10.9333 10.9389 11.0136 11.0535 11.6889 11.7367 12.6686 12.6787 12.9978 13.0019 13.6541 13.6676 14.0497 14.0894 15.0177 15.0363 k = 0.5909 0.0262 0.3526 ( 4268 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7745 -20.1303 -20.1299 -20.1250 -20.1250 -8.7710 -8.7684 -8.7586 -8.7562 -7.7562 -7.7536 -7.7344 -7.7283 -7.7194 -7.7159 5.4447 5.4567 8.5343 8.5525 9.5213 9.5306 10.2158 10.2453 10.7730 10.7870 10.9380 10.9450 11.0169 11.0663 11.6301 11.6848 12.6638 12.6736 12.9549 12.9572 13.6385 13.6527 14.0490 14.0902 14.9843 15.0038 k = 0.5947 0.0153 0.3588 ( 4268 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7745 -20.1303 -20.1299 -20.1251 -20.1251 -8.7711 -8.7685 -8.7588 -8.7562 -7.7564 -7.7537 -7.7346 -7.7282 -7.7195 -7.7158 5.4649 5.4773 8.5984 8.6165 9.4811 9.4884 10.2331 10.2638 10.7641 10.7753 10.9422 10.9506 11.0201 11.0790 11.5750 11.6369 12.6576 12.6670 12.9150 12.9159 13.6250 13.6398 14.0475 14.0899 14.9544 14.9747 k = 0.5985 0.0044 0.3649 ( 4272 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7746 -20.1304 -20.1300 -20.1252 -20.1251 -8.7711 -8.7687 -8.7589 -8.7562 -7.7565 -7.7537 -7.7347 -7.7281 -7.7196 -7.7157 5.4842 5.4968 8.6642 8.6816 9.4397 9.4447 10.2508 10.2827 10.7537 10.7628 10.9459 10.9556 11.0231 11.0912 11.5247 11.5935 12.6499 12.6587 12.8778 12.8780 13.6139 13.6294 14.0451 14.0885 14.9282 14.9491 k = 0.6023-0.0066 0.3711 ( 4269 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1304 -20.1300 -20.1252 -20.1252 -8.7712 -8.7688 -8.7591 -8.7561 -7.7567 -7.7538 -7.7349 -7.7280 -7.7197 -7.7157 5.5023 5.5151 8.7310 8.7472 9.3976 9.3997 10.2688 10.3018 10.7422 10.7496 10.9491 10.9599 11.0258 11.1027 11.4798 11.5552 12.6405 12.6486 12.8430 12.8438 13.6055 13.6215 14.0418 14.0859 14.9058 14.9271 k = 0.6061-0.0175 0.3773 ( 4269 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1304 -20.1300 -20.1252 -20.1252 -8.7712 -8.7688 -8.7593 -8.7561 -7.7568 -7.7539 -7.7350 -7.7279 -7.7198 -7.7157 5.5188 5.5318 8.7982 8.8124 9.3542 9.3559 10.2871 10.3213 10.7299 10.7360 10.9518 10.9635 11.0282 11.1128 11.4412 11.5224 12.6293 12.6364 12.8111 12.8121 13.5999 13.6163 14.0376 14.0820 14.8875 14.9088 k = 0.6098-0.0284 0.3835 ( 4266 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7747 -20.1305 -20.1301 -20.1253 -20.1252 -8.7712 -8.7689 -8.7595 -8.7561 -7.7570 -7.7540 -7.7350 -7.7278 -7.7199 -7.7157 5.5336 5.5467 8.8647 8.8753 9.3095 9.3163 10.3055 10.3409 10.7170 10.7224 10.9540 10.9663 11.0302 11.1211 11.4097 11.4951 12.6160 12.6220 12.7821 12.7829 13.5973 13.6141 14.0325 14.0769 14.8733 14.8939 k = 0.6136-0.0394 0.3897 ( 4266 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1305 -20.1302 -20.1253 -20.1252 -8.7711 -8.7690 -8.7597 -8.7561 -7.7571 -7.7541 -7.7351 -7.7277 -7.7200 -7.7157 5.5464 5.5595 8.9278 8.9323 9.2685 9.2828 10.3242 10.3607 10.7042 10.7093 10.9557 10.9682 11.0318 11.1267 11.3859 11.4733 12.6006 12.6056 12.7555 12.7559 13.5978 13.6149 14.0267 14.0707 14.8632 14.8820 k = 0.6174-0.0503 0.3959 ( 4256 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1306 -20.1302 -20.1253 -20.1252 -8.7711 -8.7691 -8.7599 -8.7561 -7.7572 -7.7542 -7.7351 -7.7276 -7.7201 -7.7157 5.5568 5.5699 8.9758 8.9810 9.2376 9.2629 10.3430 10.3806 10.6919 10.6971 10.9568 10.9693 11.0328 11.1292 11.3702 11.4569 12.5831 12.5870 12.7309 12.7310 13.6014 13.6186 14.0204 14.0635 14.8572 14.8673 k = 0.6212-0.0612 0.4021 ( 4258 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1253 -20.1252 -8.7710 -8.7691 -8.7601 -8.7560 -7.7573 -7.7543 -7.7351 -7.7275 -7.7201 -7.7158 5.5646 5.5776 8.9948 9.0106 9.2310 9.2678 10.3618 10.4006 10.6809 10.6862 10.9574 10.9695 11.0333 11.1285 11.3624 11.4455 12.5633 12.5664 12.7076 12.7082 13.6080 13.6254 14.0139 14.0558 14.8321 14.8481 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.6184-0.0684 0.4190 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7709 -8.7691 -8.7604 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7158 5.5699 5.5827 8.9864 9.0065 9.2612 9.3028 10.3789 10.4178 10.6708 10.6804 10.9571 10.9684 11.0343 11.1253 11.3618 11.4387 12.5044 12.5162 12.7094 12.7219 13.6180 13.6359 14.0073 14.0476 14.7722 14.7887 k = 0.6118-0.0646 0.4297 ( 4255 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7709 -8.7690 -8.7605 -8.7559 -7.7574 -7.7544 -7.7352 -7.7273 -7.7202 -7.7158 5.5709 5.5838 8.9889 9.0107 9.2639 9.3067 10.3733 10.4096 10.6703 10.6867 10.9560 10.9675 11.0367 11.1264 11.3620 11.4385 12.4383 12.4530 12.7638 12.7797 13.6194 13.6384 14.0070 14.0469 14.7372 14.7545 k = 0.6053-0.0608 0.4405 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1253 -20.1252 -8.7710 -8.7689 -8.7607 -8.7557 -7.7574 -7.7544 -7.7353 -7.7272 -7.7203 -7.7157 5.5725 5.5855 8.9931 9.0174 9.2684 9.3131 10.3639 10.3963 10.6716 10.6949 10.9543 10.9661 11.0405 11.1282 11.3622 11.4382 12.3642 12.3796 12.8230 12.8402 13.6217 13.6426 14.0066 14.0458 14.6987 14.7161 k = 0.5987-0.0570 0.4512 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1254 -20.1252 -8.7711 -8.7688 -8.7610 -8.7556 -7.7574 -7.7544 -7.7354 -7.7271 -7.7205 -7.7156 5.5748 5.5878 8.9990 9.0267 9.2747 9.3221 10.3505 10.3785 10.6745 10.7044 10.9521 10.9645 11.0453 11.1307 11.3625 11.4375 12.2869 12.3027 12.8806 12.8987 13.6252 13.6484 14.0061 14.0444 14.6594 14.6766 k = 0.5921-0.0532 0.4620 ( 4263 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1303 -20.1254 -20.1252 -8.7712 -8.7686 -8.7613 -8.7553 -7.7574 -7.7543 -7.7356 -7.7269 -7.7206 -7.7155 5.5776 5.5908 9.0066 9.0385 9.2829 9.3337 10.3328 10.3568 10.6788 10.7147 10.9496 10.9628 11.0509 11.1337 11.3626 11.4365 12.2086 12.2247 12.9349 12.9535 13.6300 13.6558 14.0059 14.0430 14.6199 14.6368 k = 0.5855-0.0494 0.4727 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1302 -20.1255 -20.1252 -8.7713 -8.7685 -8.7616 -8.7551 -7.7574 -7.7543 -7.7358 -7.7267 -7.7208 -7.7154 5.5810 5.5943 9.0158 9.0527 9.2929 9.3480 10.3102 10.3320 10.6845 10.7253 10.9471 10.9610 11.0571 11.1372 11.3623 11.4349 12.1306 12.1470 12.9851 13.0039 13.6363 13.6649 14.0059 14.0416 14.5807 14.5973 k = 0.5789-0.0456 0.4835 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1306 -20.1302 -20.1256 -20.1253 -8.7714 -8.7683 -8.7619 -8.7549 -7.7574 -7.7543 -7.7360 -7.7265 -7.7210 -7.7153 5.5849 5.5983 9.0265 9.0690 9.3049 9.3648 10.2822 10.3045 10.6911 10.7361 10.9448 10.9593 11.0637 11.1412 11.3616 11.4324 12.0543 12.0709 13.0307 13.0494 13.6440 13.6755 14.0066 14.0405 14.5421 14.5584 k = 0.5724-0.0418 0.4942 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1302 -20.1257 -20.1253 -8.7715 -8.7681 -8.7623 -8.7547 -7.7574 -7.7542 -7.7362 -7.7263 -7.7212 -7.7152 5.5891 5.6027 9.0385 9.0874 9.3188 9.3842 10.2488 10.2745 10.6987 10.7466 10.9428 10.9576 11.0707 11.1456 11.3599 11.4288 11.9810 11.9977 13.0715 13.0898 13.6531 13.6877 14.0082 14.0400 14.5042 14.5202 k = 0.5658-0.0380 0.5049 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1301 -20.1257 -20.1254 -8.7716 -8.7679 -8.7626 -8.7544 -7.7574 -7.7542 -7.7364 -7.7261 -7.7214 -7.7150 5.5938 5.6075 9.0519 9.1078 9.3346 9.4063 10.2105 10.2413 10.7069 10.7565 10.9412 10.9560 11.0782 11.1503 11.3570 11.4234 11.9121 11.9285 13.1075 13.1250 13.6635 13.7010 14.0110 14.0406 14.4671 14.4828 k = 0.5592-0.0342 0.5157 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1305 -20.1301 -20.1258 -20.1254 -8.7717 -8.7677 -8.7630 -8.7542 -7.7574 -7.7542 -7.7366 -7.7259 -7.7216 -7.7149 5.5986 5.6125 9.0663 9.1297 9.3525 9.4309 10.1678 10.2047 10.7156 10.7655 10.9401 10.9546 11.0862 11.1552 11.3524 11.4157 11.8491 11.8648 13.1387 13.1550 13.6748 13.7152 14.0154 14.0425 14.4310 14.4464 k = 0.5526-0.0304 0.5264 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1304 -20.1300 -20.1259 -20.1255 -8.7718 -8.7674 -8.7633 -8.7541 -7.7575 -7.7541 -7.7368 -7.7256 -7.7218 -7.7148 5.6036 5.6177 9.0816 9.1531 9.3723 9.4580 10.1211 10.1643 10.7245 10.7733 10.9395 10.9534 11.0948 11.1604 11.3456 11.4052 11.7935 11.8077 13.1654 13.1801 13.6864 13.7298 14.0218 14.0463 14.3957 14.4109 k = 0.5461-0.0266 0.5372 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1304 -20.1300 -20.1260 -20.1255 -8.7719 -8.7672 -8.7637 -8.7539 -7.7575 -7.7541 -7.7370 -7.7254 -7.7221 -7.7147 5.6086 5.6229 9.0975 9.1777 9.3940 9.4876 10.0708 10.1201 10.7335 10.7798 10.9392 10.9525 11.1041 11.1657 11.3362 11.3911 11.7465 11.7585 13.1878 13.2007 13.6979 13.7442 14.0304 14.0524 14.3615 14.3763 k = 0.5395-0.0228 0.5479 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1303 -20.1299 -20.1261 -20.1256 -8.7720 -8.7670 -8.7640 -8.7538 -7.7575 -7.7541 -7.7371 -7.7252 -7.7223 -7.7146 5.6135 5.6280 9.1138 9.2030 9.4175 9.5194 10.0175 10.0726 10.7424 10.7846 10.9392 10.9519 11.1143 11.1711 11.3241 11.3735 11.7087 11.7179 13.2062 13.2172 13.7087 13.7576 14.0416 14.0612 14.3282 14.3428 k = 0.5329-0.0190 0.5587 ( 4253 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1303 -20.1299 -20.1261 -20.1256 -8.7720 -8.7668 -8.7643 -8.7536 -7.7575 -7.7541 -7.7373 -7.7249 -7.7226 -7.7145 5.6182 5.6328 9.1301 9.2286 9.4425 9.5535 9.9621 10.0222 10.7508 10.7877 10.9394 10.9515 11.1255 11.1764 11.3099 11.3529 11.6801 11.6862 13.2211 13.2302 13.7182 13.7695 14.0553 14.0728 14.2960 14.3105 k = 0.5263-0.0152 0.5694 ( 4253 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1303 -20.1298 -20.1262 -20.1257 -8.7721 -8.7666 -8.7645 -8.7535 -7.7575 -7.7540 -7.7374 -7.7247 -7.7228 -7.7144 5.6224 5.6371 9.1458 9.2540 9.4681 9.5894 9.9061 9.9698 10.7586 10.7892 10.9399 10.9511 11.1377 11.1814 11.2947 11.3306 11.6594 11.6631 13.2328 13.2400 13.7261 13.7794 14.0716 14.0873 14.2649 14.2794 k = 0.5197-0.0114 0.5801 ( 4259 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1262 -20.1257 -8.7721 -8.7664 -8.7648 -8.7535 -7.7575 -7.7540 -7.7375 -7.7245 -7.7230 -7.7143 5.6261 5.6409 9.1603 9.2783 9.4932 9.6268 9.8520 9.9168 10.7656 10.7892 10.9406 10.9506 11.1508 11.1856 11.2802 11.3083 11.6449 11.6479 13.2416 13.2473 13.7321 13.7870 14.0901 14.1044 14.2351 14.2497 k = 0.5132-0.0076 0.5909 ( 4257 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1298 -20.1263 -20.1257 -8.7722 -8.7662 -8.7650 -8.7534 -7.7576 -7.7540 -7.7375 -7.7243 -7.7233 -7.7143 5.6289 5.6439 9.1726 9.3001 9.5150 9.6647 9.8041 9.8656 10.7715 10.7879 10.9417 10.9498 11.1642 11.1882 11.2684 11.2880 11.6353 11.6390 13.2476 13.2523 13.7364 13.7924 14.1107 14.1234 14.2069 14.2219 k = 0.5066-0.0038 0.6016 ( 4255 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7661 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7241 -7.7235 -7.7143 5.6308 5.6458 9.1813 9.3168 9.5295 9.6996 9.7701 9.8209 10.7761 10.7858 10.9431 10.9486 11.1764 11.1880 11.2615 11.2725 11.6302 11.6346 13.2511 13.2553 13.7388 13.7955 14.1327 14.1432 14.1804 14.1970 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7660 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7240 -7.7236 -7.7142 5.6315 5.6465 9.1846 9.3238 9.5337 9.7171 9.7590 9.7984 10.7782 10.7844 10.9439 10.9478 11.1839 11.1852 11.2595 11.2662 11.6286 11.6333 13.2522 13.2563 13.7396 13.7965 14.1545 14.1554 14.1580 14.1824 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7660 -8.7652 -8.7534 -7.7576 -7.7540 -7.7376 -7.7240 -7.7236 -7.7142 5.6315 5.6465 9.1846 9.3238 9.5337 9.7171 9.7590 9.7984 10.7782 10.7844 10.9439 10.9478 11.1839 11.1852 11.2595 11.2662 11.6286 11.6333 13.2522 13.2563 13.7396 13.7965 14.1545 14.1554 14.1580 14.1824 k = 0.5000 0.0076 0.6016 ( 4254 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7661 -8.7651 -8.7534 -7.7576 -7.7540 -7.7376 -7.7242 -7.7234 -7.7143 5.6304 5.6454 9.1823 9.3206 9.5165 9.6851 9.7762 9.8337 10.7746 10.7865 10.9422 10.9494 11.1781 11.1918 11.2581 11.2718 11.6314 11.6357 13.2525 13.2568 13.7381 13.7947 14.1247 14.1357 14.1908 14.2062 k = 0.5000 0.0152 0.5909 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7663 -8.7649 -8.7534 -7.7575 -7.7540 -7.7376 -7.7244 -7.7231 -7.7143 5.6271 5.6420 9.1748 9.3085 9.4806 9.6328 9.8202 9.8904 10.7681 10.7887 10.9396 10.9518 11.1717 11.2002 11.2579 11.2859 11.6393 11.6430 13.2536 13.2580 13.7338 13.7894 14.0977 14.1098 14.2289 14.2426 k = 0.5000 0.0228 0.5801 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1302 -20.1297 -20.1263 -20.1257 -8.7722 -8.7665 -8.7646 -8.7534 -7.7575 -7.7540 -7.7375 -7.7247 -7.7228 -7.7143 5.6217 5.6365 9.1606 9.2805 9.4490 9.5837 9.8731 9.9480 10.7611 10.7895 10.9369 10.9538 11.1645 11.2071 11.2631 11.3072 11.6519 11.6556 13.2553 13.2598 13.7270 13.7810 14.0749 14.0870 14.2699 14.2826 k = 0.5000 0.0304 0.5694 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1302 -20.1297 -20.1262 -20.1257 -8.7721 -8.7667 -8.7642 -8.7535 -7.7574 -7.7539 -7.7374 -7.7250 -7.7225 -7.7144 5.6141 5.6289 9.1375 9.2333 9.4328 9.5436 9.9266 10.0024 10.7546 10.7890 10.9344 10.9551 11.1564 11.2084 11.2791 11.3353 11.6684 11.6736 13.2576 13.2621 13.7181 13.7703 14.0562 14.0678 14.3134 14.3253 k = 0.5000 0.0380 0.5587 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1302 -20.1297 -20.1262 -20.1257 -8.7721 -8.7669 -8.7639 -8.7535 -7.7574 -7.7539 -7.7373 -7.7253 -7.7222 -7.7144 5.6046 5.6192 9.1038 9.1721 9.4293 9.5159 9.9771 10.0520 10.7493 10.7878 10.9320 10.9556 11.1470 11.2034 11.3069 11.3696 11.6890 11.6965 13.2605 13.2644 13.7079 13.7581 14.0412 14.0522 14.3589 14.3702 k = 0.5000 0.0456 0.5479 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1302 -20.1297 -20.1261 -20.1256 -8.7721 -8.7671 -8.7635 -8.7536 -7.7573 -7.7539 -7.7372 -7.7256 -7.7219 -7.7145 5.5931 5.6077 9.0595 9.1038 9.4332 9.5014 10.0224 10.0956 10.7457 10.7863 10.9295 10.9556 11.1365 11.1949 11.3440 11.4094 11.7141 11.7237 13.2638 13.2666 13.6972 13.7455 14.0294 14.0398 14.4062 14.4170 k = 0.5000 0.0532 0.5372 ( 4254 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1302 -20.1297 -20.1261 -20.1256 -8.7720 -8.7673 -8.7632 -8.7537 -7.7572 -7.7538 -7.7370 -7.7259 -7.7216 -7.7146 5.5799 5.5942 9.0065 9.0323 9.4413 9.4987 10.0612 10.1325 10.7443 10.7853 10.9271 10.9552 11.1250 11.1845 11.3885 11.4542 11.7439 11.7551 13.2670 13.2684 13.6868 13.7338 14.0203 14.0302 14.4550 14.4653 k = 0.5000 0.0608 0.5264 ( 4256 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1302 -20.1297 -20.1260 -20.1255 -8.7719 -8.7674 -8.7628 -8.7538 -7.7571 -7.7538 -7.7368 -7.7262 -7.7213 -7.7147 5.5650 5.5791 8.9471 8.9597 9.4527 9.5052 10.0928 10.1625 10.7451 10.7852 10.9245 10.9546 11.1127 11.1729 11.4387 11.5031 11.7786 11.7905 13.2687 13.2709 13.6776 13.7240 14.0133 14.0231 14.5050 14.5150 k = 0.5000 0.0684 0.5157 ( 4256 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1302 -20.1297 -20.1259 -20.1255 -8.7719 -8.7675 -8.7624 -8.7539 -7.7569 -7.7538 -7.7366 -7.7265 -7.7210 -7.7148 5.5486 5.5625 8.8838 8.8872 9.4670 9.5181 10.1169 10.1856 10.7480 10.7861 10.9219 10.9538 11.0996 11.1608 11.4933 11.5550 11.8189 11.8299 13.2686 13.2739 13.6702 13.7169 14.0081 14.0178 14.5561 14.5659 k = 0.5000 0.0760 0.5049 ( 4270 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7747 -20.1302 -20.1297 -20.1258 -20.1254 -8.7718 -8.7676 -8.7621 -8.7540 -7.7568 -7.7537 -7.7364 -7.7267 -7.7208 -7.7149 5.5308 5.5445 8.8152 8.8185 9.4840 9.5352 10.1340 10.2021 10.7525 10.7883 10.9191 10.9530 11.0860 11.1482 11.5509 11.6086 11.8652 11.8737 13.2676 13.2767 13.6654 13.7131 14.0043 14.0140 14.6082 14.6179 k = 0.5000 0.0836 0.4942 ( 4272 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1302 -20.1297 -20.1257 -20.1253 -8.7717 -8.7677 -8.7617 -8.7542 -7.7566 -7.7536 -7.7361 -7.7269 -7.7205 -7.7150 5.5119 5.5253 8.7444 8.7523 9.5033 9.5554 10.1446 10.2127 10.7583 10.7916 10.9162 10.9522 11.0719 11.1355 11.6102 11.6626 11.9177 11.9220 13.2657 13.2791 13.6635 13.7131 14.0016 14.0113 14.6610 14.6708 k = 0.5000 0.0912 0.4835 ( 4272 PWs) bands (ev): -43.9890 -43.9889 -20.7746 -20.7746 -20.1302 -20.1297 -20.1256 -20.1252 -8.7716 -8.7677 -8.7614 -8.7543 -7.7565 -7.7536 -7.7359 -7.7272 -7.7203 -7.7152 5.4920 5.5050 8.6751 8.6862 9.5246 9.5776 10.1496 10.2180 10.7648 10.7957 10.9131 10.9516 11.0576 11.1228 11.6696 11.7161 11.9734 11.9779 13.2635 13.2814 13.6649 13.7168 13.9999 14.0096 14.7147 14.7247 k = 0.5000 0.0988 0.4727 ( 4280 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7745 -20.1302 -20.1297 -20.1255 -20.1251 -8.7715 -8.7677 -8.7610 -8.7544 -7.7563 -7.7535 -7.7356 -7.7274 -7.7200 -7.7153 5.4712 5.4839 8.6076 8.6208 9.5474 9.6013 10.1500 10.2188 10.7716 10.8004 10.9100 10.9510 11.0431 11.1100 11.7280 11.7685 12.0308 12.0422 13.2615 13.2840 13.6695 13.7239 13.9989 14.0086 14.7690 14.7795 k = 0.5000 0.1064 0.4620 ( 4276 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7745 -20.1302 -20.1297 -20.1253 -20.1250 -8.7713 -8.7677 -8.7607 -8.7546 -7.7561 -7.7535 -7.7353 -7.7275 -7.7198 -7.7155 5.4497 5.4620 8.5420 8.5566 9.5714 9.6260 10.1469 10.2159 10.7781 10.8053 10.9066 10.9505 11.0285 11.0974 11.7847 11.8198 12.0916 12.1109 13.2604 13.2876 13.6774 13.7342 13.9985 14.0081 14.8241 14.8353 k = 0.5000 0.1140 0.4512 ( 4278 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7745 -20.1302 -20.1298 -20.1252 -20.1249 -8.7712 -8.7677 -8.7604 -8.7548 -7.7560 -7.7534 -7.7350 -7.7277 -7.7196 -7.7157 5.4277 5.4396 8.4784 8.4939 9.5962 9.6513 10.1409 10.2100 10.7841 10.8104 10.9032 10.9501 11.0141 11.0849 11.8391 11.8704 12.1552 12.1820 13.2612 13.2928 13.6882 13.7471 13.9987 14.0081 14.8799 14.8921 k = 0.5000 0.1215 0.4405 ( 4270 PWs) bands (ev): -43.9891 -43.9890 -20.7745 -20.7744 -20.1302 -20.1298 -20.1251 -20.1248 -8.7710 -8.7677 -8.7601 -8.7549 -7.7558 -7.7534 -7.7346 -7.7279 -7.7195 -7.7159 5.4054 5.4169 8.4171 8.4330 9.6215 9.6769 10.1330 10.2017 10.7894 10.8154 10.8997 10.9497 10.9999 11.0727 11.8914 11.9205 12.2200 12.2535 13.2648 13.3007 13.7016 13.7622 13.9993 14.0084 14.9365 14.9500 k = 0.5000 0.1291 0.4297 ( 4272 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7744 -20.1302 -20.1298 -20.1249 -20.1247 -8.7708 -8.7676 -8.7598 -8.7551 -7.7556 -7.7533 -7.7343 -7.7280 -7.7193 -7.7160 5.3829 5.3940 8.3580 8.3741 9.6471 9.7025 10.1236 10.1916 10.7938 10.8203 10.8962 10.9490 10.9862 11.0608 11.9419 11.9701 12.2844 12.3232 13.2725 13.3123 13.7173 13.7790 14.0002 14.0090 14.9940 15.0091 k = 0.5000 0.1367 0.4190 ( 4266 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7743 -20.1303 -20.1299 -20.1247 -20.1245 -8.7707 -8.7675 -8.7595 -8.7553 -7.7554 -7.7532 -7.7339 -7.7281 -7.7192 -7.7162 5.3604 5.3710 8.3014 8.3173 9.6725 9.7278 10.1132 10.1801 10.7973 10.8248 10.8926 10.9478 10.9731 11.0493 11.9913 12.0194 12.3464 12.3892 13.2852 13.3286 13.7346 13.7970 14.0014 14.0098 15.0525 15.0695 k = 0.5000 0.1443 0.4082 ( 4270 PWs) bands (ev): -43.9891 -43.9890 -20.7743 -20.7743 -20.1303 -20.1299 -20.1246 -20.1244 -8.7705 -8.7675 -8.7593 -8.7555 -7.7552 -7.7532 -7.7336 -7.7282 -7.7191 -7.7164 5.3381 5.3482 8.2473 8.2629 9.6977 9.7526 10.1023 10.1678 10.7999 10.8289 10.8891 10.9453 10.9618 11.0383 12.0399 12.0682 12.4043 12.4496 13.3040 13.3504 13.7534 13.8158 14.0028 14.0108 15.1122 15.1314 k = 0.5000 0.1519 0.3975 ( 4266 PWs) bands (ev): -43.9891 -43.9891 -20.7743 -20.7742 -20.1303 -20.1299 -20.1244 -20.1243 -8.7703 -8.7674 -8.7590 -8.7557 -7.7550 -7.7531 -7.7332 -7.7282 -7.7190 -7.7166 5.3160 5.3256 8.1957 8.2108 9.7224 9.7766 10.0912 10.1549 10.8019 10.8323 10.8857 10.9390 10.9544 11.0279 12.0880 12.1165 12.4567 12.5031 13.3297 13.3783 13.7731 13.8351 14.0045 14.0118 15.1732 15.1947 k = 0.5000 0.1595 0.3868 ( 4272 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7742 -20.1303 -20.1300 -20.1242 -20.1241 -8.7700 -8.7673 -8.7588 -8.7559 -7.7548 -7.7531 -7.7328 -7.7283 -7.7189 -7.7169 5.2943 5.3035 8.1467 8.1613 9.7465 9.7997 10.0801 10.1416 10.8032 10.8350 10.8824 10.9292 10.9510 11.0182 12.1356 12.1642 12.5026 12.5486 13.3624 13.4125 13.7934 13.8545 14.0062 14.0130 15.2356 15.2595 k = 0.5000 0.1671 0.3760 ( 4282 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7741 -20.1304 -20.1300 -20.1241 -20.1240 -8.7698 -8.7671 -8.7586 -8.7561 -7.7546 -7.7530 -7.7324 -7.7283 -7.7188 -7.7171 5.2732 5.2818 8.1004 8.1143 9.7697 9.8217 10.0693 10.1284 10.8042 10.8370 10.8792 10.9184 10.9489 11.0092 12.1828 12.2113 12.5413 12.5859 13.4020 13.4527 13.8140 13.8736 14.0081 14.0142 15.2996 15.3258 k = 0.5000 0.1747 0.3653 ( 4286 PWs) bands (ev): -43.9891 -43.9891 -20.7741 -20.7741 -20.1304 -20.1301 -20.1239 -20.1238 -8.7696 -8.7670 -8.7585 -8.7563 -7.7544 -7.7530 -7.7320 -7.7283 -7.7188 -7.7173 5.2528 5.2609 8.0568 8.0699 9.7919 9.8423 10.0589 10.1152 10.8048 10.8380 10.8763 10.9077 10.9470 11.0010 12.2294 12.2575 12.5732 12.6153 13.4475 13.4979 13.8347 13.8924 14.0101 14.0155 15.3651 15.3935 k = 0.5000 0.1823 0.3545 ( 4290 PWs) bands (ev): -43.9892 -43.9891 -20.7741 -20.7740 -20.1304 -20.1301 -20.1238 -20.1237 -8.7693 -8.7669 -8.7583 -8.7565 -7.7543 -7.7529 -7.7317 -7.7283 -7.7188 -7.7175 5.2331 5.2407 8.0158 8.0283 9.8129 9.8614 10.0492 10.1024 10.8052 10.8382 10.8735 10.8977 10.9452 10.9937 12.2752 12.3026 12.5986 12.6377 13.4974 13.5468 13.8552 13.9104 14.0122 14.0168 15.4320 15.4624 k = 0.5000 0.1899 0.3438 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7740 -20.7740 -20.1305 -20.1302 -20.1236 -20.1235 -8.7691 -8.7668 -8.7582 -8.7567 -7.7541 -7.7529 -7.7313 -7.7283 -7.7188 -7.7177 5.2144 5.2214 7.9777 7.9893 9.8328 9.8789 10.0403 10.0900 10.8056 10.8375 10.8706 10.8884 10.9433 10.9873 12.3200 12.3466 12.6185 12.6542 13.5503 13.5979 13.8752 13.9276 14.0143 14.0181 15.5004 15.5322 k = 0.5000 0.1975 0.3330 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7740 -20.7739 -20.1305 -20.1302 -20.1235 -20.1234 -8.7688 -8.7667 -8.7581 -8.7569 -7.7539 -7.7529 -7.7309 -7.7283 -7.7188 -7.7179 5.1967 5.2032 7.9423 7.9531 9.8513 9.8945 10.0324 10.0782 10.8058 10.8363 10.8675 10.8799 10.9415 10.9817 12.3636 12.3890 12.6338 12.6660 13.6043 13.6496 13.8947 13.9437 14.0164 14.0196 15.5697 15.6023 k = 0.5000 0.2051 0.3223 ( 4278 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1233 -20.1233 -8.7686 -8.7665 -8.7580 -8.7570 -7.7538 -7.7528 -7.7305 -7.7282 -7.7188 -7.7181 5.1800 5.1860 7.9097 7.9196 9.8684 9.9082 10.0257 10.0672 10.8062 10.8346 10.8640 10.8724 10.9399 10.9768 12.4056 12.4295 12.6454 12.6741 13.6582 13.7006 13.9134 13.9586 14.0184 14.0212 15.6396 15.6721 k = 0.5000 0.2127 0.3116 ( 4278 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1232 -20.1232 -8.7683 -8.7664 -8.7580 -8.7572 -7.7536 -7.7528 -7.7302 -7.7281 -7.7189 -7.7183 5.1646 5.1700 7.8800 7.8890 9.8839 9.9198 10.0203 10.0570 10.8066 10.8326 10.8596 10.8662 10.9386 10.9725 12.4455 12.4678 12.6542 12.6795 13.7104 13.7494 13.9312 13.9721 14.0202 14.0232 15.7093 15.7406 k = 0.5000 0.2203 0.3008 ( 4276 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7738 -20.1306 -20.1304 -20.1231 -20.1230 -8.7681 -8.7663 -8.7579 -8.7573 -7.7535 -7.7528 -7.7298 -7.7281 -7.7189 -7.7185 5.1504 5.1553 7.8530 7.8612 9.8979 9.9291 10.0164 10.0477 10.8073 10.8304 10.8546 10.8612 10.9376 10.9687 12.4831 12.5036 12.6609 12.6829 13.7600 13.7951 13.9480 13.9842 14.0218 14.0257 15.7779 15.8069 k = 0.5000 0.2279 0.2901 ( 4276 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1230 -20.1229 -8.7678 -8.7663 -8.7579 -8.7575 -7.7534 -7.7527 -7.7295 -7.7280 -7.7190 -7.7187 5.1376 5.1419 7.8290 7.8362 9.9101 9.9361 10.0140 10.0396 10.8081 10.8284 10.8494 10.8566 10.9371 10.9653 12.5179 12.5362 12.6662 12.6851 13.8059 13.8366 13.9638 13.9948 14.0234 14.0285 15.8440 15.8695 k = 0.5000 0.2355 0.2793 ( 4274 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1229 -20.1228 -8.7676 -8.7662 -8.7579 -8.7576 -7.7533 -7.7527 -7.7292 -7.7279 -7.7191 -7.7189 5.1261 5.1299 7.8077 7.8141 9.9206 9.9409 10.0131 10.0326 10.8091 10.8265 10.8445 10.8523 10.9371 10.9622 12.5494 12.5653 12.6708 12.6864 13.8475 13.8733 13.9785 14.0039 14.0251 14.0316 15.9063 15.9272 k = 0.5000 0.2431 0.2686 ( 4272 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1305 -20.1228 -20.1228 -8.7673 -8.7661 -8.7579 -8.7577 -7.7532 -7.7527 -7.7289 -7.7279 -7.7192 -7.7190 5.1161 5.1193 7.7894 7.7948 9.9292 9.9440 10.0133 10.0271 10.8104 10.8249 10.8401 10.8479 10.9374 10.9593 12.5771 12.5903 12.6752 12.6876 13.8841 13.9044 13.9921 14.0115 14.0272 14.0347 15.9629 15.9786 k = 0.5000 0.2507 0.2578 ( 4276 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7737 -20.1306 -20.1305 -20.1227 -20.1227 -8.7671 -8.7661 -8.7579 -8.7578 -7.7531 -7.7527 -7.7286 -7.7278 -7.7192 -7.7191 5.1076 5.1103 7.7739 7.7785 9.9358 9.9457 10.0143 10.0229 10.8120 10.8236 10.8362 10.8436 10.9380 10.9566 12.6004 12.6106 12.6800 12.6889 13.9151 13.9297 14.0046 14.0178 14.0298 14.0378 16.0122 16.0228 k = 0.5000 0.2583 0.2471 ( 4286 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1305 -20.1226 -20.1226 -8.7669 -8.7661 -8.7579 -8.7579 -7.7530 -7.7527 -7.7284 -7.7278 -7.7193 -7.7193 5.1006 5.1028 7.7614 7.7650 9.9406 9.9466 10.0154 10.0201 10.8139 10.8228 10.8328 10.8394 10.9390 10.9540 12.6188 12.6257 12.6854 12.6910 13.9399 13.9490 14.0156 14.0233 14.0332 14.0404 16.0530 16.0592 k = 0.5000 0.2659 0.2364 ( 4282 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1226 -20.1226 -8.7667 -8.7661 -8.7580 -8.7579 -7.7530 -7.7527 -7.7282 -7.7277 -7.7194 -7.7193 5.0952 5.0969 7.7517 7.7544 9.9438 9.9471 10.0165 10.0186 10.8161 10.8223 10.8299 10.8354 10.9402 10.9516 12.6320 12.6360 12.6913 12.6940 13.9582 13.9629 14.0248 14.0282 14.0373 14.0424 16.0844 16.0876 k = 0.5000 0.2735 0.2256 ( 4282 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7666 -8.7662 -8.7580 -8.7580 -7.7529 -7.7527 -7.7280 -7.7277 -7.7194 -7.7194 5.0914 5.0925 7.7449 7.7467 9.9456 9.9473 10.0173 10.0179 10.8186 10.8224 10.8274 10.8315 10.9417 10.9493 12.6403 12.6423 12.6965 12.6974 13.9702 13.9720 14.0317 14.0326 14.0412 14.0436 16.1065 16.1079 k = 0.5000 0.2811 0.2149 ( 4296 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7664 -8.7662 -8.7580 -8.7580 -7.7528 -7.7528 -7.7279 -7.7278 -7.7194 -7.7194 5.0893 5.0898 7.7410 7.7419 9.9466 9.9473 10.0177 10.0178 10.8213 10.8229 10.8255 10.8279 10.9433 10.9471 12.6447 12.6455 12.7001 12.7002 13.9767 13.9771 14.0356 14.0363 14.0438 14.0443 16.1195 16.1200 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7580 -8.7580 -7.7528 -7.7528 -7.7278 -7.7278 -7.7195 -7.7195 5.0887 5.0887 7.7400 7.7400 9.9471 9.9471 10.0178 10.0178 10.8236 10.8236 10.8248 10.8248 10.9451 10.9451 12.6463 12.6463 12.7013 12.7013 13.9787 13.9787 14.0373 14.0373 14.0446 14.0446 16.1239 16.1239 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7663 -8.7663 -8.7580 -8.7580 -7.7528 -7.7528 -7.7278 -7.7278 -7.7195 -7.7195 5.0887 5.0887 7.7400 7.7400 9.9471 9.9471 10.0178 10.0178 10.8236 10.8236 10.8248 10.8248 10.9451 10.9451 12.6463 12.6463 12.7013 12.7013 13.9787 13.9787 14.0373 14.0373 14.0446 14.0446 16.1239 16.1239 k = 0.4962 0.2865 0.2165 ( 4292 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7664 -8.7662 -8.7580 -8.7580 -7.7528 -7.7528 -7.7279 -7.7278 -7.7194 -7.7194 5.0893 5.0898 7.7410 7.7419 9.9466 9.9473 10.0177 10.0178 10.8213 10.8229 10.8255 10.8279 10.9433 10.9471 12.6447 12.6455 12.7001 12.7002 13.9767 13.9771 14.0356 14.0363 14.0439 14.0442 16.1195 16.1200 k = 0.4924 0.2843 0.2289 ( 4290 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1225 -20.1225 -8.7666 -8.7662 -8.7580 -8.7580 -7.7529 -7.7527 -7.7280 -7.7277 -7.7194 -7.7194 5.0914 5.0925 7.7448 7.7466 9.9456 9.9473 10.0175 10.0177 10.8186 10.8224 10.8274 10.8315 10.9417 10.9493 12.6404 12.6423 12.6968 12.6972 13.9703 13.9720 14.0320 14.0321 14.0418 14.0432 16.1067 16.1079 k = 0.4886 0.2821 0.2412 ( 4288 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1306 -20.1226 -20.1226 -8.7667 -8.7661 -8.7580 -8.7579 -7.7530 -7.7527 -7.7282 -7.7277 -7.7194 -7.7193 5.0952 5.0968 7.7516 7.7543 9.9440 9.9468 10.0172 10.0179 10.8161 10.8224 10.8298 10.8354 10.9402 10.9515 12.6324 12.6356 12.6922 12.6932 13.9586 13.9627 14.0248 14.0271 14.0391 14.0416 16.0852 16.0872 k = 0.4848 0.2799 0.2536 ( 4288 PWs) bands (ev): -43.9892 -43.9892 -20.7737 -20.7737 -20.1306 -20.1305 -20.1226 -20.1226 -8.7669 -8.7661 -8.7579 -8.7579 -7.7530 -7.7527 -7.7284 -7.7278 -7.7193 -7.7193 5.1006 5.1027 7.7612 7.7648 9.9415 9.9457 10.0170 10.0187 10.8139 10.8229 10.8326 10.8394 10.9390 10.9540 12.6198 12.6245 12.6876 12.6895 13.9411 13.9485 14.0157 14.0199 14.0372 14.0396 16.0549 16.0579 k = 0.4811 0.2777 0.2660 ( 4280 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7737 -20.1306 -20.1305 -20.1227 -20.1227 -8.7671 -8.7661 -8.7579 -8.7578 -7.7531 -7.7527 -7.7286 -7.7278 -7.7192 -7.7191 5.1075 5.1102 7.7737 7.7782 9.9376 9.9436 10.0173 10.0202 10.8119 10.8239 10.8358 10.8437 10.9381 10.9565 12.6020 12.6080 12.6838 12.6868 13.9175 13.9286 14.0052 14.0103 14.0366 14.0375 16.0158 16.0200 k = 0.4773 0.2756 0.2784 ( 4277 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1305 -20.1228 -20.1228 -8.7673 -8.7661 -8.7579 -8.7578 -7.7532 -7.7527 -7.7289 -7.7279 -7.7192 -7.7190 5.1159 5.1192 7.7891 7.7945 9.9321 9.9402 10.0183 10.0230 10.8103 10.8254 10.8394 10.8480 10.9375 10.9591 12.5791 12.5860 12.6812 12.6850 13.8881 13.9025 13.9935 13.9984 14.0356 14.0372 15.9684 15.9739 k = 0.4735 0.2734 0.2907 ( 4277 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1228 -20.1228 -8.7676 -8.7662 -8.7578 -8.7577 -7.7533 -7.7527 -7.7292 -7.7279 -7.7191 -7.7189 5.1259 5.1297 7.8074 7.8137 9.9249 9.9350 10.0205 10.0269 10.8089 10.8274 10.8435 10.8524 10.9374 10.9619 12.5513 12.5588 12.6796 12.6841 13.8532 13.8704 13.9805 13.9845 14.0342 14.0385 15.9138 15.9205 k = 0.4697 0.2712 0.3031 ( 4275 PWs) bands (ev): -43.9892 -43.9892 -20.7738 -20.7738 -20.1306 -20.1304 -20.1229 -20.1229 -8.7678 -8.7663 -8.7578 -8.7576 -7.7534 -7.7527 -7.7295 -7.7280 -7.7190 -7.7187 5.1373 5.1416 7.8284 7.8357 9.9159 9.9278 10.0239 10.0322 10.8078 10.8298 10.8478 10.8567 10.9378 10.9647 12.5192 12.5268 12.6787 12.6838 13.8132 13.8327 13.9660 13.9688 14.0333 14.0405 15.8537 15.8614 k = 0.4659 0.2690 0.3155 ( 4276 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7738 -20.1306 -20.1304 -20.1231 -20.1230 -8.7680 -8.7664 -8.7578 -8.7575 -7.7535 -7.7528 -7.7298 -7.7281 -7.7190 -7.7185 5.1501 5.1549 7.8524 7.8605 9.9049 9.9185 10.0287 10.0388 10.8069 10.8326 10.8525 10.8609 10.9389 10.9676 12.4832 12.4904 12.6783 12.6839 13.7684 13.7898 13.9501 13.9516 14.0330 14.0429 15.7897 15.7983 k = 0.4621 0.2668 0.3278 ( 4274 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1232 -20.1232 -8.7683 -8.7665 -8.7577 -8.7574 -7.7536 -7.7528 -7.7301 -7.7282 -7.7189 -7.7183 5.1642 5.1696 7.8792 7.8882 9.8921 9.9070 10.0349 10.0466 10.8062 10.8355 10.8575 10.8649 10.9409 10.9706 12.4434 12.4500 12.6782 12.6843 13.7194 13.7422 13.9328 13.9329 14.0332 14.0458 15.7236 15.7328 k = 0.4583 0.2646 0.3402 ( 4282 PWs) bands (ev): -43.9892 -43.9892 -20.7739 -20.7739 -20.1305 -20.1303 -20.1233 -20.1233 -8.7685 -8.7666 -8.7577 -8.7573 -7.7538 -7.7528 -7.7305 -7.7282 -7.7189 -7.7181 5.1795 5.1855 7.9087 7.9186 9.8775 9.8935 10.0422 10.0555 10.8057 10.8384 10.8628 10.8688 10.9438 10.9737 12.4003 12.4057 12.6783 12.6849 13.6668 13.6904 13.9129 13.9141 14.0338 14.0489 15.6567 15.6665 k = 0.4545 0.2624 0.3526 ( 4280 PWs) bands (ev): -43.9892 -43.9892 -20.7740 -20.7739 -20.1305 -20.1302 -20.1234 -20.1234 -8.7688 -8.7667 -8.7577 -8.7572 -7.7539 -7.7529 -7.7308 -7.7283 -7.7188 -7.7179 5.1961 5.2026 7.9411 7.9519 9.8611 9.8779 10.0508 10.0655 10.8053 10.8411 10.8684 10.8726 10.9478 10.9768 12.3541 12.3577 12.6785 12.6856 13.6112 13.6351 13.8919 13.8944 14.0348 14.0524 15.5902 15.6004 k = 0.4508 0.2602 0.3649 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7740 -20.7740 -20.1305 -20.1302 -20.1236 -20.1236 -8.7690 -8.7669 -8.7577 -8.7571 -7.7541 -7.7529 -7.7312 -7.7284 -7.7188 -7.7177 5.2137 5.2207 7.9763 7.9879 9.8429 9.8602 10.0603 10.0765 10.8049 10.8431 10.8741 10.8766 10.9530 10.9800 12.3049 12.3064 12.6788 12.6864 13.5532 13.5770 13.8700 13.8738 14.0362 14.0560 15.5249 15.5356 k = 0.4470 0.2581 0.3773 ( 4284 PWs) bands (ev): -43.9892 -43.9891 -20.7741 -20.7740 -20.1304 -20.1301 -20.1237 -20.1237 -8.7693 -8.7670 -8.7577 -8.7570 -7.7543 -7.7529 -7.7315 -7.7284 -7.7188 -7.7175 5.2323 5.2398 8.0142 8.0267 9.8230 9.8405 10.0709 10.0883 10.8045 10.8441 10.8801 10.8811 10.9592 10.9832 12.2520 12.2532 12.6791 12.6871 13.4937 13.5167 13.8475 13.8524 14.0377 14.0598 15.4616 15.4727 k = 0.4432 0.2559 0.3897 ( 4279 PWs) bands (ev): -43.9891 -43.9891 -20.7741 -20.7741 -20.1304 -20.1301 -20.1239 -20.1238 -8.7695 -8.7671 -8.7578 -8.7569 -7.7544 -7.7530 -7.7319 -7.7285 -7.7188 -7.7173 5.2518 5.2599 8.0548 8.0682 9.8012 9.8188 10.0823 10.1010 10.8040 10.8439 10.8861 10.8862 10.9666 10.9865 12.1946 12.1991 12.6794 12.6878 13.4333 13.4553 13.8245 13.8306 14.0395 14.0637 15.4006 15.4122 k = 0.4394 0.2537 0.4021 ( 4283 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7741 -20.1304 -20.1300 -20.1240 -20.1240 -8.7697 -8.7673 -8.7578 -8.7568 -7.7546 -7.7530 -7.7322 -7.7285 -7.7189 -7.7171 5.2721 5.2806 8.0981 8.1123 9.7776 9.7950 10.0945 10.1145 10.8033 10.8423 10.8918 10.8924 10.9749 10.9898 12.1348 12.1431 12.6795 12.6883 13.3730 13.3933 13.8013 13.8085 14.0413 14.0677 15.3423 15.3545 k = 0.4356 0.2515 0.4144 ( 4279 PWs) bands (ev): -43.9891 -43.9891 -20.7742 -20.7742 -20.1304 -20.1300 -20.1242 -20.1241 -8.7700 -8.7675 -8.7579 -8.7567 -7.7548 -7.7531 -7.7325 -7.7285 -7.7189 -7.7169 5.2930 5.3020 8.1441 8.1590 9.7522 9.7693 10.1075 10.1288 10.8022 10.8394 10.8980 10.8986 10.9842 10.9932 12.0728 12.0854 12.6794 12.6886 13.3133 13.3316 13.7782 13.7863 14.0432 14.0717 15.2868 15.2997 k = 0.4318 0.2493 0.4268 ( 4273 PWs) bands (ev): -43.9891 -43.9891 -20.7743 -20.7742 -20.1303 -20.1300 -20.1243 -20.1243 -8.7702 -8.7676 -8.7579 -8.7566 -7.7550 -7.7531 -7.7329 -7.7285 -7.7189 -7.7167 5.3144 5.3239 8.1926 8.2083 9.7249 9.7414 10.1213 10.1437 10.8007 10.8353 10.9047 10.9049 10.9942 10.9965 12.0091 12.0265 12.6791 12.6885 13.2549 13.2710 13.7553 13.7644 14.0450 14.0755 15.2342 15.2479 k = 0.4280 0.2471 0.4392 ( 4269 PWs) bands (ev): -43.9891 -43.9890 -20.7743 -20.7743 -20.1303 -20.1299 -20.1244 -20.1244 -8.7703 -8.7678 -8.7580 -8.7565 -7.7552 -7.7532 -7.7332 -7.7285 -7.7190 -7.7165 5.3362 5.3462 8.2437 8.2601 9.6957 9.7115 10.1356 10.1593 10.7985 10.8300 10.9110 10.9116 10.9999 11.0050 11.9443 11.9671 12.6783 12.6880 13.1983 13.2120 13.7329 13.7430 14.0467 14.0792 15.1846 15.1992 k = 0.4242 0.2449 0.4515 ( 4268 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7743 -20.1303 -20.1299 -20.1246 -20.1246 -8.7705 -8.7679 -8.7581 -8.7565 -7.7554 -7.7533 -7.7334 -7.7285 -7.7191 -7.7164 5.3582 5.3686 8.2973 8.3143 9.6646 9.6795 10.1506 10.1755 10.7956 10.8236 10.9170 10.9186 11.0033 11.0165 11.8791 11.9076 12.6770 12.6870 13.1441 13.1552 13.7113 13.7224 14.0481 14.0826 15.1381 15.1537 k = 0.4205 0.2427 0.4639 ( 4268 PWs) bands (ev): -43.9891 -43.9890 -20.7744 -20.7744 -20.1303 -20.1299 -20.1247 -20.1247 -8.7707 -8.7680 -8.7582 -8.7564 -7.7556 -7.7533 -7.7337 -7.7284 -7.7192 -7.7162 5.3802 5.3911 8.3532 8.3708 9.6316 9.6454 10.1662 10.1922 10.7918 10.8161 10.9227 10.9256 11.0068 11.0284 11.8143 11.8489 12.6751 12.6852 13.0924 13.1011 13.6908 13.7027 14.0492 14.0855 15.0948 15.1113 k = 0.4167 0.2406 0.4763 ( 4270 PWs) bands (ev): -43.9891 -43.9890 -20.7745 -20.7744 -20.1303 -20.1299 -20.1248 -20.1248 -8.7708 -8.7682 -8.7583 -8.7563 -7.7558 -7.7534 -7.7340 -7.7284 -7.7192 -7.7161 5.4021 5.4134 8.4115 8.4294 9.5967 9.6092 10.1822 10.2095 10.7868 10.8074 10.9282 10.9324 11.0102 11.0408 11.7506 11.7916 12.6723 12.6825 13.0436 13.0499 13.6717 13.6844 14.0498 14.0878 15.0546 15.0722 k = 0.4129 0.2384 0.4887 ( 4267 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7744 -20.1303 -20.1299 -20.1249 -20.1249 -8.7709 -8.7683 -8.7585 -8.7563 -7.7560 -7.7535 -7.7342 -7.7283 -7.7193 -7.7160 5.4236 5.4353 8.4719 8.4900 9.5599 9.5709 10.1988 10.2272 10.7806 10.7977 10.9333 10.9389 11.0136 11.0535 11.6889 11.7367 12.6686 12.6787 12.9978 13.0019 13.6541 13.6676 14.0497 14.0894 15.0177 15.0363 k = 0.4091 0.2362 0.5010 ( 4268 PWs) bands (ev): -43.9890 -43.9890 -20.7745 -20.7745 -20.1303 -20.1299 -20.1250 -20.1250 -8.7710 -8.7684 -8.7586 -8.7562 -7.7562 -7.7536 -7.7344 -7.7283 -7.7194 -7.7159 5.4447 5.4567 8.5343 8.5525 9.5213 9.5306 10.2158 10.2453 10.7730 10.7870 10.9380 10.9450 11.0169 11.0663 11.6301 11.6848 12.6638 12.6736 12.9549 12.9572 13.6385 13.6527 14.0490 14.0902 14.9843 15.0038 k = 0.4053 0.2340 0.5134 ( 4268 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7745 -20.1303 -20.1299 -20.1251 -20.1251 -8.7711 -8.7685 -8.7588 -8.7562 -7.7564 -7.7537 -7.7346 -7.7282 -7.7195 -7.7158 5.4649 5.4773 8.5984 8.6165 9.4811 9.4884 10.2331 10.2638 10.7641 10.7753 10.9422 10.9506 11.0201 11.0790 11.5750 11.6369 12.6576 12.6670 12.9150 12.9159 13.6250 13.6398 14.0475 14.0899 14.9544 14.9747 k = 0.4015 0.2318 0.5258 ( 4272 PWs) bands (ev): -43.9890 -43.9890 -20.7746 -20.7746 -20.1304 -20.1300 -20.1252 -20.1251 -8.7711 -8.7687 -8.7589 -8.7562 -7.7565 -7.7537 -7.7347 -7.7281 -7.7196 -7.7157 5.4842 5.4968 8.6642 8.6816 9.4397 9.4447 10.2508 10.2827 10.7537 10.7628 10.9459 10.9556 11.0231 11.0912 11.5247 11.5935 12.6499 12.6587 12.8778 12.8780 13.6139 13.6294 14.0451 14.0885 14.9282 14.9491 k = 0.3977 0.2296 0.5381 ( 4269 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1304 -20.1300 -20.1252 -20.1252 -8.7712 -8.7688 -8.7591 -8.7561 -7.7567 -7.7538 -7.7349 -7.7280 -7.7197 -7.7157 5.5023 5.5151 8.7310 8.7472 9.3976 9.3997 10.2688 10.3018 10.7422 10.7496 10.9491 10.9599 11.0258 11.1027 11.4798 11.5552 12.6405 12.6486 12.8430 12.8438 13.6055 13.6215 14.0418 14.0859 14.9058 14.9271 k = 0.3939 0.2274 0.5505 ( 4269 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7746 -20.1304 -20.1300 -20.1252 -20.1252 -8.7712 -8.7688 -8.7593 -8.7561 -7.7568 -7.7539 -7.7350 -7.7279 -7.7198 -7.7157 5.5188 5.5318 8.7982 8.8124 9.3542 9.3559 10.2871 10.3213 10.7299 10.7360 10.9518 10.9635 11.0282 11.1128 11.4412 11.5224 12.6293 12.6364 12.8111 12.8121 13.5999 13.6163 14.0376 14.0820 14.8875 14.9088 k = 0.3902 0.2253 0.5629 ( 4266 PWs) bands (ev): -43.9890 -43.9889 -20.7747 -20.7747 -20.1305 -20.1301 -20.1253 -20.1252 -8.7712 -8.7689 -8.7595 -8.7561 -7.7570 -7.7540 -7.7350 -7.7278 -7.7199 -7.7157 5.5336 5.5467 8.8647 8.8753 9.3095 9.3163 10.3055 10.3409 10.7170 10.7224 10.9540 10.9663 11.0302 11.1211 11.4097 11.4951 12.6160 12.6220 12.7821 12.7829 13.5973 13.6141 14.0325 14.0769 14.8733 14.8939 k = 0.3864 0.2231 0.5753 ( 4266 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1305 -20.1302 -20.1253 -20.1252 -8.7711 -8.7690 -8.7597 -8.7561 -7.7571 -7.7541 -7.7351 -7.7277 -7.7200 -7.7157 5.5464 5.5595 8.9278 8.9323 9.2685 9.2828 10.3242 10.3607 10.7042 10.7093 10.9557 10.9682 11.0318 11.1267 11.3859 11.4733 12.6006 12.6056 12.7555 12.7559 13.5978 13.6149 14.0267 14.0707 14.8632 14.8820 k = 0.3826 0.2209 0.5876 ( 4256 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7747 -20.1306 -20.1302 -20.1253 -20.1252 -8.7711 -8.7691 -8.7599 -8.7561 -7.7572 -7.7542 -7.7351 -7.7276 -7.7201 -7.7157 5.5568 5.5699 8.9758 8.9810 9.2376 9.2629 10.3430 10.3806 10.6919 10.6971 10.9568 10.9693 11.0328 11.1292 11.3702 11.4569 12.5831 12.5870 12.7309 12.7310 13.6014 13.6186 14.0204 14.0635 14.8572 14.8673 k = 0.3788 0.2187 0.6000 ( 4258 PWs) bands (ev): -43.9890 -43.9889 -20.7748 -20.7748 -20.1307 -20.1303 -20.1253 -20.1252 -8.7710 -8.7691 -8.7601 -8.7560 -7.7573 -7.7543 -7.7351 -7.7275 -7.7201 -7.7158 5.5646 5.5776 8.9948 9.0106 9.2310 9.2678 10.3618 10.4006 10.6809 10.6862 10.9574 10.9695 11.0333 11.1285 11.3624 11.4455 12.5633 12.5664 12.7076 12.7082 13.6080 13.6254 14.0139 14.0558 14.8321 14.8481 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1307 -20.1304 -20.1253 -20.1252 -8.7708 -8.7691 -8.7603 -8.7560 -7.7573 -7.7544 -7.7351 -7.7274 -7.7202 -7.7159 5.5695 5.5824 8.9855 9.0052 9.2603 9.3016 10.3808 10.4206 10.6718 10.6773 10.9575 10.9688 11.0334 11.1250 11.3617 11.4388 12.5412 12.5438 12.6858 12.6868 13.6176 13.6350 14.0074 14.0478 14.7912 14.8060 k = 0.6184-0.0836 0.4082 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7748 -20.7748 -20.1308 -20.1305 -20.1252 -20.1251 -8.7706 -8.7692 -8.7607 -8.7560 -7.7574 -7.7546 -7.7350 -7.7272 -7.7202 -7.7160 5.5743 5.5868 8.9488 8.9681 9.3418 9.3837 10.4137 10.4556 10.6577 10.6640 10.9574 10.9667 11.0327 11.1165 11.3674 11.4318 12.5006 12.5027 12.6498 12.6512 13.6363 13.6537 13.9975 14.0350 14.7221 14.7365 k = 0.6118-0.0950 0.4082 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1309 -20.1306 -20.1251 -20.1250 -8.7704 -8.7692 -8.7611 -8.7561 -7.7575 -7.7547 -7.7349 -7.7270 -7.7203 -7.7162 5.5771 5.5892 8.9119 8.9303 9.4280 9.4698 10.4464 10.4908 10.6441 10.6518 10.9575 10.9638 11.0313 11.1078 11.3755 11.4267 12.4594 12.4610 12.6148 12.6168 13.6541 13.6715 13.9896 14.0240 14.6558 14.6702 k = 0.6053-0.1064 0.4082 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1310 -20.1307 -20.1251 -20.1249 -8.7701 -8.7693 -8.7614 -8.7562 -7.7576 -7.7549 -7.7348 -7.7269 -7.7205 -7.7163 5.5784 5.5899 8.8759 8.8934 9.5167 9.5581 10.4778 10.5253 10.6318 10.6414 10.9580 10.9602 11.0290 11.0995 11.3860 11.4239 12.4176 12.4188 12.5807 12.5832 13.6710 13.6884 13.9837 14.0152 14.5926 14.6073 k = 0.5987-0.1177 0.4082 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7748 -20.1311 -20.1309 -20.1250 -20.1249 -8.7698 -8.7693 -8.7618 -8.7563 -7.7577 -7.7551 -7.7346 -7.7267 -7.7206 -7.7165 5.5782 5.5892 8.8413 8.8578 9.6066 9.6474 10.5060 10.5561 10.6236 10.6348 10.9555 10.9587 11.0259 11.0921 11.3987 11.4238 12.3753 12.3762 12.5470 12.5502 13.6869 13.7044 13.9799 14.0084 14.5328 14.5476 k = 0.5921-0.1291 0.4082 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1312 -20.1310 -20.1249 -20.1248 -8.7695 -8.7693 -8.7621 -8.7564 -7.7577 -7.7553 -7.7344 -7.7265 -7.7207 -7.7167 5.5770 5.5874 8.8084 8.8238 9.6968 9.7365 10.5275 10.5732 10.6297 10.6354 10.9499 10.9600 11.0220 11.0861 11.4137 11.4266 12.3325 12.3331 12.5135 12.5175 13.7021 13.7197 13.9783 14.0037 14.4762 14.4913 k = 0.5855-0.1405 0.4082 ( 4262 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1313 -20.1311 -20.1248 -20.1247 -8.7693 -8.7692 -8.7624 -8.7566 -7.7578 -7.7555 -7.7341 -7.7264 -7.7208 -7.7169 5.5749 5.5847 8.7773 8.7917 9.7863 9.8246 10.5383 10.5710 10.6469 10.6555 10.9432 10.9618 11.0173 11.0818 11.4311 11.4329 12.2894 12.2897 12.4798 12.4848 13.7165 13.7341 13.9786 14.0012 14.4231 14.4385 k = 0.5789-0.1519 0.4082 ( 4250 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1314 -20.1312 -20.1247 -20.1246 -8.7693 -8.7688 -8.7627 -8.7568 -7.7578 -7.7557 -7.7338 -7.7263 -7.7210 -7.7171 5.5722 5.5814 8.7482 8.7615 9.8740 9.9106 10.5392 10.5615 10.6686 10.6884 10.9356 10.9645 11.0118 11.0795 11.4430 11.4509 12.2461 12.2462 12.4456 12.4518 13.7302 13.7479 13.9811 14.0007 14.3735 14.3891 k = 0.5724-0.1633 0.4082 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1314 -20.1313 -20.1247 -20.1245 -8.7693 -8.7685 -8.7629 -8.7570 -7.7579 -7.7559 -7.7335 -7.7262 -7.7211 -7.7173 5.5691 5.5776 8.7211 8.7333 9.9592 9.9934 10.5344 10.5506 10.6958 10.7223 10.9273 10.9684 11.0056 11.0793 11.4571 11.4732 12.2025 12.2032 12.4107 12.4182 13.7433 13.7609 13.9854 14.0023 14.3273 14.3431 k = 0.5658-0.1747 0.4082 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1315 -20.1314 -20.1246 -20.1244 -8.7692 -8.7682 -8.7631 -8.7573 -7.7579 -7.7561 -7.7332 -7.7262 -7.7211 -7.7175 5.5658 5.5735 8.6962 8.7073 10.0408 10.0720 10.5272 10.5397 10.7247 10.7551 10.9187 10.9740 10.9988 11.0813 11.4755 11.4981 12.1593 12.1605 12.3749 12.3839 13.7557 13.7733 13.9915 14.0058 14.2846 14.3005 k = 0.5592-0.1861 0.4082 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1316 -20.1315 -20.1245 -20.1244 -8.7692 -8.7680 -8.7632 -8.7575 -7.7579 -7.7563 -7.7328 -7.7262 -7.7212 -7.7177 5.5623 5.5694 8.6735 8.6835 10.1178 10.1456 10.5193 10.5292 10.7534 10.7853 10.9101 10.9823 10.9915 11.0854 11.4983 11.5256 12.1166 12.1188 12.3379 12.3486 13.7675 13.7849 13.9993 14.0111 14.2455 14.2613 k = 0.5526-0.1975 0.4082 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1317 -20.1316 -20.1244 -20.1243 -8.7691 -8.7678 -8.7633 -8.7579 -7.7579 -7.7564 -7.7324 -7.7263 -7.7212 -7.7179 5.5589 5.5652 8.6531 8.6620 10.1894 10.2131 10.5115 10.5196 10.7804 10.8114 10.9020 10.9838 10.9940 11.0918 11.5255 11.5557 12.0750 12.0784 12.2996 12.3122 13.7788 13.7959 14.0083 14.0178 14.2099 14.2256 k = 0.5461-0.2089 0.4082 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1317 -20.1316 -20.1243 -20.1242 -8.7690 -8.7677 -8.7632 -8.7582 -7.7579 -7.7566 -7.7320 -7.7264 -7.7211 -7.7182 5.5557 5.5612 8.6350 8.6428 10.2546 10.2739 10.5042 10.5108 10.8046 10.8322 10.8950 10.9759 11.0099 11.1001 11.5568 11.5881 12.0351 12.0401 12.2599 12.2747 13.7896 13.8061 14.0184 14.0257 14.1779 14.1934 k = 0.5395-0.2203 0.4082 ( 4258 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1318 -20.1317 -20.1243 -20.1242 -8.7689 -8.7676 -8.7631 -8.7585 -7.7579 -7.7568 -7.7316 -7.7267 -7.7210 -7.7184 5.5528 5.5575 8.6193 8.6260 10.3127 10.3274 10.4977 10.5031 10.8250 10.8471 10.8899 10.9679 11.0299 11.1101 11.5919 11.6222 11.9975 12.0048 12.2189 12.2361 13.7998 13.8154 14.0290 14.0343 14.1497 14.1646 k = 0.5329-0.2317 0.4082 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1318 -20.1318 -20.1242 -20.1241 -8.7688 -8.7676 -8.7629 -8.7589 -7.7578 -7.7569 -7.7311 -7.7269 -7.7209 -7.7186 5.5502 5.5542 8.6061 8.6117 10.3628 10.3732 10.4922 10.4965 10.8401 10.8565 10.8882 10.9600 11.0529 11.1211 11.6297 11.6571 11.9633 11.9739 12.1768 12.1965 13.8094 13.8238 14.0396 14.0432 14.1254 14.1393 k = 0.5263-0.2431 0.4082 ( 4256 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1318 -20.1242 -20.1241 -8.7687 -8.7677 -8.7626 -8.7593 -7.7578 -7.7571 -7.7307 -7.7273 -7.7207 -7.7189 5.5481 5.5513 8.5953 8.5998 10.4042 10.4108 10.4880 10.4912 10.8487 10.8614 10.8913 10.9523 11.0768 11.1319 11.6689 11.6913 11.9339 11.9489 12.1342 12.1563 13.8183 13.8308 14.0496 14.0516 14.1052 14.1179 k = 0.5197-0.2545 0.4082 ( 4252 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1241 -8.7686 -8.7677 -8.7622 -8.7597 -7.7577 -7.7572 -7.7302 -7.7276 -7.7205 -7.7191 5.5465 5.5489 8.5870 8.5904 10.4361 10.4398 10.4853 10.4875 10.8523 10.8629 10.8984 10.9448 11.0998 11.1412 11.7070 11.7223 11.9115 11.9320 12.0924 12.1165 13.8261 13.8364 14.0582 14.0589 14.0896 14.1005 k = 0.5132-0.2659 0.4082 ( 4260 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1240 -8.7684 -8.7679 -8.7618 -8.7602 -7.7577 -7.7573 -7.7298 -7.7280 -7.7203 -7.7194 5.5454 5.5470 8.5812 8.5834 10.4574 10.4594 10.4849 10.4862 10.8539 10.8622 10.9068 10.9375 11.1198 11.1474 11.7396 11.7468 11.8995 11.9242 12.0545 12.0785 13.8328 13.8400 14.0641 14.0645 14.0793 14.0877 k = 0.5066-0.2773 0.4082 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1241 -20.1240 -8.7683 -8.7680 -8.7614 -8.7606 -7.7576 -7.7574 -7.7293 -7.7284 -7.7201 -7.7196 5.5449 5.5457 8.5780 8.5791 10.4675 10.4684 10.4877 10.4881 10.8556 10.8602 10.9151 10.9303 11.1352 11.1491 11.7607 11.7622 11.9014 11.9215 12.0278 12.0455 13.8378 13.8416 14.0662 14.0664 14.0759 14.0803 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -43.9889 -43.9889 -20.7749 -20.7749 -20.1319 -20.1319 -20.1240 -20.1240 -8.7682 -8.7682 -8.7610 -8.7610 -7.7575 -7.7575 -7.7289 -7.7289 -7.7198 -7.7198 5.5450 5.5450 8.5772 8.5772 10.4700 10.4700 10.4898 10.4898 10.8578 10.8578 10.9229 10.9229 11.1451 11.1451 11.7675 11.7675 11.9133 11.9133 12.0248 12.0248 13.8408 13.8408 14.0660 14.0660 14.0772 14.0772 Writing output data file TiNiSn.save init_run : 0.70s CPU 0.42s WALL ( 1 calls) electrons : 344.79s CPU 227.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.02s WALL ( 1 calls) potinit : 0.07s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 344.78s CPU 227.81s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.20s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.36s CPU 0.49s WALL ( 354 calls) cegterg : 315.89s CPU 210.73s WALL ( 560 calls) Called by sum_band: Called by *egterg: h_psi : 225.17s CPU 137.56s WALL ( 9304 calls) s_psi : 7.05s CPU 4.49s WALL ( 9304 calls) g_psi : 0.46s CPU 0.31s WALL ( 8390 calls) cdiaghg : 76.99s CPU 60.01s WALL ( 8744 calls) cegterg:over : 11.27s CPU 7.98s WALL ( 8390 calls) cegterg:upda : 9.43s CPU 6.69s WALL ( 8390 calls) cegterg:last : 5.13s CPU 3.85s WALL ( 1813 calls) cdiaghg:chol : 4.18s CPU 3.40s WALL ( 8744 calls) cdiaghg:inve : 2.19s CPU 1.84s WALL ( 8744 calls) cdiaghg:para : 4.46s CPU 3.40s WALL ( 17488 calls) Called by h_psi: h_psi:vloc : 205.00s CPU 123.84s WALL ( 9304 calls) h_psi:vnl : 19.81s CPU 13.42s WALL ( 9304 calls) add_vuspsi : 11.45s CPU 7.55s WALL ( 9304 calls) General routines calbec : 8.33s CPU 5.84s WALL ( 9304 calls) fft : 0.03s CPU 0.02s WALL ( 15 calls) fftw : 196.09s CPU 117.59s WALL ( 936244 calls) davcio : 0.41s CPU 0.75s WALL ( 708 calls) Parallel routines fft_scatter : 73.50s CPU 49.07s WALL ( 936259 calls) PWSCF : 6m 0.69s CPU 4m18.15s WALL This run was terminated on: 4:30:38 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=