Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:26 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) = 7.9386 a.u. unit-cell volume = 353.7653 (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)= 7.938590 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 0.1132076), 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 0.3867924), 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 0.3684210 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 0.6315790), wk = 0.0028249 k( 113) = ( 0.3092105 0.3092105 0.6184211), 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 0.0065789 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 0.3484848 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 0.3684210 0.6315789), wk = 0.0028249 k( 281) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028249 k( 282) = ( 0.5000000 0.3815789 0.6184211), 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 0.4734849 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 0.4545455 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 ( 252, 44) NL pseudopotentials 0.20 Mb ( 126, 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 0.68 Mb ( 252, 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 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 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 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.8 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.7 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 21.2 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 23.3 secs Computing kpt #: 34 total cpu time spent up to now is 24.0 secs Computing kpt #: 35 total cpu time spent up to now is 24.8 secs Computing kpt #: 36 total cpu time spent up to now is 25.5 secs Computing kpt #: 37 total cpu time spent up to now is 26.2 secs Computing kpt #: 38 total cpu time spent up to now is 26.9 secs Computing kpt #: 39 total cpu time spent up to now is 27.6 secs Computing kpt #: 40 total cpu time spent up to now is 28.3 secs Computing kpt #: 41 total cpu time spent up to now is 29.0 secs Computing kpt #: 42 total cpu time spent up to now is 29.6 secs Computing kpt #: 43 total cpu time spent up to now is 30.2 secs Computing kpt #: 44 total cpu time spent up to now is 30.9 secs Computing kpt #: 45 total cpu time spent up to now is 31.6 secs Computing kpt #: 46 total cpu time spent up to now is 32.2 secs Computing kpt #: 47 total cpu time spent up to now is 32.9 secs Computing kpt #: 48 total cpu time spent up to now is 33.5 secs Computing kpt #: 49 total cpu time spent up to now is 34.2 secs Computing kpt #: 50 total cpu time spent up to now is 34.8 secs Computing kpt #: 51 total cpu time spent up to now is 35.5 secs Computing kpt #: 52 total cpu time spent up to now is 36.2 secs Computing kpt #: 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time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 58.2 secs Computing kpt #: 86 total cpu time spent up to now is 58.8 secs Computing kpt #: 87 total cpu time spent up to now is 59.4 secs Computing kpt #: 88 total cpu time spent up to now is 60.1 secs Computing kpt #: 89 total cpu time spent up to now is 60.7 secs Computing kpt #: 90 total cpu time spent up to now is 61.3 secs Computing kpt #: 91 total cpu time spent up to now is 61.9 secs Computing kpt #: 92 total cpu time spent up to now is 62.6 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.7 secs Computing kpt #: 95 total cpu time spent up to now is 64.3 secs Computing kpt #: 96 total cpu time spent up to now is 65.0 secs Computing kpt #: 97 total cpu time spent up to now is 65.6 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 66.9 secs Computing kpt #: 100 total cpu time spent up to now is 67.6 secs Computing kpt #: 101 total cpu time spent up to now is 68.3 secs Computing kpt #: 102 total cpu time spent up to now is 68.9 secs Computing kpt #: 103 total cpu time spent up to now is 69.6 secs Computing kpt #: 104 total cpu time spent up to now is 70.2 secs Computing kpt #: 105 total cpu time spent up to now is 70.9 secs Computing kpt #: 106 total cpu time spent up to now is 71.5 secs Computing kpt #: 107 total cpu time spent up to now is 72.2 secs Computing kpt #: 108 total cpu time spent up to now is 72.9 secs Computing kpt #: 109 total cpu time spent up to now is 73.5 secs Computing kpt #: 110 total cpu time spent up to now is 74.0 secs Computing kpt #: 111 total cpu time spent up to now is 74.6 secs Computing kpt #: 112 total cpu time spent up to now is 75.2 secs Computing kpt #: 113 total cpu time spent up to now is 75.7 secs Computing kpt #: 114 total cpu time spent up to now is 76.3 secs Computing kpt #: 115 total cpu time spent up to now is 76.9 secs Computing kpt #: 116 total cpu time spent up to now is 77.4 secs Computing kpt #: 117 total cpu time spent up to now is 78.0 secs Computing kpt #: 118 total cpu time spent up to now is 78.6 secs Computing kpt #: 119 total cpu time spent up to now is 79.2 secs Computing kpt #: 120 total cpu time spent up to now is 79.8 secs Computing kpt #: 121 total cpu time spent up to now is 80.5 secs Computing kpt #: 122 total cpu time spent up to now is 81.1 secs Computing kpt #: 123 total cpu time spent up to now is 81.7 secs Computing kpt #: 124 total cpu time spent up to now is 82.2 secs Computing kpt #: 125 total cpu time spent up to now is 82.8 secs Computing kpt #: 126 total cpu time spent up to now is 83.4 secs Computing kpt #: 127 total cpu time spent up to now is 83.9 secs Computing kpt #: 128 total cpu time spent up to now is 84.5 secs Computing kpt #: 129 total cpu time spent up to now is 85.1 secs Computing kpt #: 130 total cpu time spent up 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Computing kpt #: 146 total cpu time spent up to now is 94.7 secs Computing kpt #: 147 total cpu time spent up to now is 95.3 secs Computing kpt #: 148 total cpu time spent up to now is 95.9 secs Computing kpt #: 149 total cpu time spent up to now is 96.4 secs Computing kpt #: 150 total cpu time spent up to now is 97.1 secs Computing kpt #: 151 total cpu time spent up to now is 97.6 secs Computing kpt #: 152 total cpu time spent up to now is 98.2 secs Computing kpt #: 153 total cpu time spent up to now is 98.8 secs Computing kpt #: 154 total cpu time spent up to now is 99.3 secs Computing kpt #: 155 total cpu time spent up to now is 100.0 secs Computing kpt #: 156 total cpu time spent up to now is 100.6 secs Computing kpt #: 157 total cpu time spent up to now is 101.2 secs Computing kpt #: 158 total cpu time spent up to now is 101.7 secs Computing kpt #: 159 total cpu time spent up to now is 102.3 secs Computing kpt #: 160 total cpu time spent up to now is 102.9 secs Computing kpt #: 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cpu time spent up to now is 112.5 secs Computing kpt #: 177 total cpu time spent up to now is 113.1 secs Computing kpt #: 178 total cpu time spent up to now is 113.7 secs Computing kpt #: 179 total cpu time spent up to now is 114.3 secs Computing kpt #: 180 total cpu time spent up to now is 115.0 secs Computing kpt #: 181 total cpu time spent up to now is 115.5 secs Computing kpt #: 182 total cpu time spent up to now is 116.1 secs Computing kpt #: 183 total cpu time spent up to now is 116.7 secs Computing kpt #: 184 total cpu time spent up to now is 117.3 secs Computing kpt #: 185 total cpu time spent up to now is 117.9 secs Computing kpt #: 186 total cpu time spent up to now is 118.5 secs Computing kpt #: 187 total cpu time spent up to now is 119.1 secs Computing kpt #: 188 total cpu time spent up to now is 119.7 secs Computing kpt #: 189 total cpu time spent up to now is 120.5 secs Computing kpt #: 190 total cpu time spent up to now is 121.1 secs Computing kpt #: 191 total cpu time spent up to now is 121.7 secs Computing kpt #: 192 total cpu time spent up to now is 122.4 secs Computing kpt #: 193 total cpu time spent up to now is 122.9 secs Computing kpt #: 194 total cpu time spent up to now is 123.6 secs Computing kpt #: 195 total cpu time spent up to now is 124.2 secs Computing kpt #: 196 total cpu time spent up to now is 124.8 secs Computing kpt #: 197 total cpu time spent up to now is 125.5 secs Computing kpt #: 198 total cpu time spent up to now is 126.1 secs Computing kpt #: 199 total cpu time spent up to now is 126.7 secs Computing kpt #: 200 total cpu time spent up to now is 127.3 secs Computing kpt #: 201 total cpu time spent up to now is 127.9 secs Computing kpt #: 202 total cpu time spent up to now is 128.5 secs Computing kpt #: 203 total cpu time spent up to now is 129.1 secs Computing kpt #: 204 total cpu time spent up to now is 129.7 secs Computing kpt #: 205 total cpu time spent up to now is 130.3 secs Computing kpt #: 206 total cpu time spent up to now is 130.9 secs Computing kpt #: 207 total cpu time spent up to now is 131.5 secs Computing kpt #: 208 total cpu time spent up to now is 132.1 secs Computing kpt #: 209 total cpu time spent up to now is 132.7 secs Computing kpt #: 210 total cpu time spent up to now is 133.4 secs Computing kpt #: 211 total cpu time spent up to now is 134.1 secs Computing kpt #: 212 total cpu time spent up to now is 134.8 secs Computing kpt #: 213 total cpu time spent up to now is 135.6 secs Computing kpt #: 214 total cpu time spent up to now is 136.2 secs Computing kpt #: 215 total cpu time spent up to now is 136.8 secs Computing kpt #: 216 total cpu time spent up to now is 137.4 secs Computing kpt #: 217 total cpu time spent up to now is 138.0 secs Computing kpt #: 218 total cpu time spent up to now is 138.5 secs Computing kpt #: 219 total cpu time spent up to now is 139.1 secs Computing kpt #: 220 total cpu time spent up to now is 139.7 secs Computing kpt #: 221 total cpu time spent up to now is 140.4 secs Computing kpt #: 222 total cpu time spent up to now is 141.0 secs Computing kpt #: 223 total cpu time spent up to now is 141.5 secs Computing kpt #: 224 total cpu time spent up to now is 142.2 secs Computing kpt #: 225 total cpu time spent up to now is 142.8 secs Computing kpt #: 226 total cpu time spent up to now is 143.5 secs Computing kpt #: 227 total cpu time spent up to now is 144.1 secs Computing kpt #: 228 total cpu time spent up to now is 144.7 secs Computing kpt #: 229 total cpu time spent up to now is 145.3 secs Computing kpt #: 230 total cpu time spent up to now is 146.0 secs Computing kpt #: 231 total cpu time spent up to now is 146.6 secs Computing kpt #: 232 total cpu time spent up to now is 147.3 secs Computing kpt #: 233 total cpu time spent up to now is 147.9 secs Computing kpt #: 234 total cpu time spent up to now is 148.6 secs Computing kpt #: 235 total cpu time spent up to now is 149.2 secs Computing kpt #: 236 total cpu time spent up to now is 149.8 secs 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kpt #: 252 total cpu time spent up to now is 159.8 secs Computing kpt #: 253 total cpu time spent up to now is 160.4 secs Computing kpt #: 254 total cpu time spent up to now is 161.1 secs Computing kpt #: 255 total cpu time spent up to now is 161.8 secs Computing kpt #: 256 total cpu time spent up to now is 162.4 secs Computing kpt #: 257 total cpu time spent up to now is 163.0 secs Computing kpt #: 258 total cpu time spent up to now is 163.7 secs Computing kpt #: 259 total cpu time spent up to now is 164.4 secs Computing kpt #: 260 total cpu time spent up to now is 165.0 secs Computing kpt #: 261 total cpu time spent up to now is 165.7 secs Computing kpt #: 262 total cpu time spent up to now is 166.3 secs Computing kpt #: 263 total cpu time spent up to now is 166.9 secs Computing kpt #: 264 total cpu time spent up to now is 167.6 secs Computing kpt #: 265 total cpu time spent up to now is 168.2 secs Computing kpt #: 266 total cpu time spent up to now is 168.9 secs Computing kpt #: 267 total cpu time spent up to now is 169.7 secs Computing kpt #: 268 total cpu time spent up to now is 170.5 secs Computing kpt #: 269 total cpu time spent up to now is 171.4 secs Computing kpt #: 270 total cpu time spent up to now is 172.0 secs Computing kpt #: 271 total cpu time spent up to now is 172.6 secs Computing kpt #: 272 total cpu time spent up to now is 173.2 secs Computing kpt #: 273 total cpu time spent up to now is 173.8 secs Computing kpt #: 274 total cpu time spent up to now is 174.4 secs Computing kpt #: 275 total cpu time spent up to now is 175.0 secs Computing kpt #: 276 total cpu time spent up to now is 175.5 secs Computing kpt #: 277 total cpu time spent up to now is 176.2 secs Computing kpt #: 278 total cpu time spent up to now is 176.8 secs Computing kpt #: 279 total cpu time spent up to now is 177.5 secs Computing kpt #: 280 total cpu time spent up to now is 178.1 secs Computing kpt #: 281 total cpu time spent up to now is 178.8 secs Computing kpt #: 282 total cpu time spent up to now is 179.5 secs Computing kpt #: 283 total cpu time spent up to now is 180.2 secs Computing kpt #: 284 total cpu time spent up to now is 180.9 secs Computing kpt #: 285 total cpu time spent up to now is 181.6 secs Computing kpt #: 286 total cpu time spent up to now is 182.4 secs Computing kpt #: 287 total cpu time spent up to now is 183.1 secs Computing kpt #: 288 total cpu time spent up to now is 183.8 secs Computing kpt #: 289 total cpu time spent up to now is 184.5 secs Computing kpt #: 290 total cpu time spent up to now is 185.3 secs Computing kpt #: 291 total cpu time spent up to now is 186.1 secs Computing kpt #: 292 total cpu time spent up to now is 186.8 secs Computing kpt #: 293 total cpu time spent up to now is 187.6 secs Computing kpt #: 294 total cpu time spent up to now is 188.3 secs Computing kpt #: 295 total cpu time spent up to now is 189.0 secs Computing kpt #: 296 total cpu time spent up to now is 189.7 secs Computing kpt #: 297 total cpu time spent up to now is 190.4 secs Computing kpt #: 298 total cpu time spent up to now is 191.0 secs Computing kpt #: 299 total cpu time spent up to now is 191.6 secs Computing kpt #: 300 total cpu time spent up to now is 192.2 secs Computing kpt #: 301 total cpu time spent up to now is 192.8 secs Computing kpt #: 302 total cpu time spent up to now is 193.4 secs Computing kpt #: 303 total cpu time spent up to now is 194.0 secs Computing kpt #: 304 total cpu time spent up to now is 194.7 secs Computing kpt #: 305 total cpu time spent up to now is 195.3 secs Computing kpt #: 306 total cpu time spent up to now is 196.1 secs Computing kpt #: 307 total cpu time spent up to now is 196.7 secs Computing kpt #: 308 total cpu time spent up to now is 197.4 secs Computing kpt #: 309 total cpu time spent up to now is 198.0 secs Computing kpt #: 310 total cpu time spent up to now is 198.6 secs Computing kpt #: 311 total cpu time spent up to now is 199.2 secs Computing kpt #: 312 total cpu time spent up to now is 199.8 secs Computing kpt #: 313 total cpu time spent up to now is 200.4 secs Computing kpt #: 314 total cpu time spent up to now is 200.9 secs Computing kpt #: 315 total cpu time spent up to now is 201.5 secs Computing kpt #: 316 total cpu time spent up to now is 202.1 secs Computing kpt #: 317 total cpu time spent up to now is 202.9 secs Computing kpt #: 318 total cpu time spent up to now is 203.4 secs Computing kpt #: 319 total cpu time spent up to now is 204.0 secs Computing kpt #: 320 total cpu time spent up to now is 204.7 secs Computing kpt #: 321 total cpu time spent up to now is 205.2 secs Computing kpt #: 322 total cpu time spent up to now is 205.8 secs Computing kpt #: 323 total cpu time spent up to now is 206.4 secs Computing kpt #: 324 total cpu time spent up to now is 207.0 secs Computing kpt #: 325 total cpu time spent up to now is 207.6 secs Computing kpt #: 326 total cpu time spent up to now is 208.2 secs Computing kpt #: 327 total cpu time spent up to now is 208.8 secs Computing kpt #: 328 total cpu time spent up to now is 209.5 secs Computing kpt #: 329 total cpu time spent up to now is 210.2 secs Computing kpt #: 330 total cpu time spent up to now is 210.8 secs Computing kpt #: 331 total cpu time spent up to now is 211.5 secs Computing kpt #: 332 total cpu time spent up to now is 212.1 secs Computing kpt #: 333 total cpu time spent up to now is 213.2 secs Computing kpt #: 334 total cpu time spent up to now is 213.9 secs Computing kpt #: 335 total cpu time spent up to now is 214.6 secs Computing kpt #: 336 total cpu time spent up to now is 215.3 secs Computing kpt #: 337 total cpu time spent up to now is 216.1 secs Computing kpt #: 338 total cpu time spent up to now is 216.7 secs Computing kpt #: 339 total cpu time spent up to now is 217.5 secs Computing kpt #: 340 total cpu time spent up to now is 218.3 secs Computing kpt #: 341 total cpu time spent up to now is 218.9 secs Computing kpt #: 342 total cpu time spent up to now is 219.6 secs Computing kpt #: 343 total cpu time spent up to now is 220.3 secs Computing kpt #: 344 total cpu time spent up to now is 221.0 secs Computing kpt #: 345 total cpu time spent up to now is 221.7 secs Computing kpt #: 346 total cpu time spent up to now is 222.4 secs Computing kpt #: 347 total cpu time spent up to now is 223.1 secs Computing kpt #: 348 total cpu time spent up to now is 223.7 secs Computing kpt #: 349 total cpu time spent up to now is 224.3 secs Computing kpt #: 350 total cpu time spent up to now is 225.1 secs Computing kpt #: 351 total cpu time spent up to now is 225.8 secs Computing kpt #: 352 total cpu time spent up to now is 226.4 secs Computing kpt #: 353 total cpu time spent up to now is 227.1 secs Computing kpt #: 354 total cpu time spent up to now is 227.7 secs ethr = 2.78E-08, avg # of iterations = 22.2 total cpu time spent up to now is 227.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -44.4826 -44.4826 -21.2176 -21.2176 -20.5667 -20.5667 -20.5667 -20.5667 -8.7094 -8.7094 -8.7094 -8.7094 -7.7170 -7.7170 -7.6686 -7.6686 -7.6686 -7.6686 2.7892 2.7892 9.6849 9.6849 9.8320 9.8320 9.8320 9.8320 10.7591 10.7591 10.7591 10.7591 12.9608 12.9608 12.9608 12.9608 12.9855 12.9855 14.0791 14.0791 14.0791 14.0791 17.4635 17.4635 17.4889 17.4889 k = 0.0094-0.0054 0.0077 ( 4280 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7096 -8.7096 -8.7092 -8.7092 -7.7170 -7.7170 -7.6688 -7.6688 -7.6683 -7.6683 2.7907 2.7907 9.6848 9.6848 9.8309 9.8309 9.8330 9.8330 10.7581 10.7581 10.7607 10.7607 12.9591 12.9591 12.9603 12.9603 12.9846 12.9846 14.0751 14.0751 14.0791 14.0791 17.4365 17.4365 17.5041 17.5041 k = 0.0189-0.0109 0.0154 ( 4280 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7098 -8.7098 -8.7091 -8.7091 -7.7170 -7.7170 -7.6690 -7.6690 -7.6681 -7.6681 2.7949 2.7949 9.6844 9.6844 9.8285 9.8285 9.8352 9.8352 10.7578 10.7578 10.7631 10.7631 12.9552 12.9552 12.9578 12.9578 12.9819 12.9819 14.0632 14.0632 14.0793 14.0793 17.3957 17.3957 17.5087 17.5087 k = 0.0283-0.0163 0.0231 ( 4280 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7101 -8.7101 -8.7089 -8.7089 -7.7171 -7.7171 -7.6692 -7.6692 -7.6679 -7.6679 2.8021 2.8021 9.6835 9.6835 9.8250 9.8250 9.8388 9.8388 10.7579 10.7579 10.7664 10.7664 12.9489 12.9489 12.9533 12.9533 12.9775 12.9775 14.0434 14.0434 14.0795 14.0795 17.3535 17.3535 17.4926 17.4926 k = 0.0377-0.0218 0.0308 ( 4280 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5668 -20.5668 -20.5667 -20.5667 -8.7103 -8.7103 -8.7087 -8.7087 -7.7171 -7.7171 -7.6694 -7.6694 -7.6677 -7.6677 2.8120 2.8120 9.6814 9.6814 9.8209 9.8209 9.8438 9.8438 10.7585 10.7585 10.7706 10.7706 12.9403 12.9403 12.9468 12.9468 12.9716 12.9716 14.0162 14.0162 14.0799 14.0799 17.3121 17.3121 17.4598 17.4598 k = 0.0472-0.0272 0.0385 ( 4280 PWs) bands (ev): -44.4826 -44.4826 -21.2178 -21.2178 -20.5669 -20.5669 -20.5667 -20.5667 -8.7105 -8.7105 -8.7086 -8.7086 -7.7172 -7.7172 -7.6696 -7.6696 -7.6675 -7.6675 2.8248 2.8248 9.6774 9.6774 9.8171 9.8171 9.8502 9.8502 10.7595 10.7595 10.7756 10.7756 12.9294 12.9294 12.9380 12.9380 12.9645 12.9645 13.9817 13.9817 14.0804 14.0804 17.2724 17.2724 17.4147 17.4147 k = 0.0566-0.0327 0.0462 ( 4280 PWs) bands (ev): -44.4825 -44.4825 -21.2178 -21.2178 -20.5670 -20.5670 -20.5667 -20.5667 -8.7107 -8.7107 -8.7084 -8.7084 -7.7173 -7.7173 -7.6698 -7.6698 -7.6673 -7.6673 2.8404 2.8404 9.6707 9.6707 9.8144 9.8144 9.8580 9.8580 10.7607 10.7607 10.7816 10.7816 12.9163 12.9163 12.9269 12.9269 12.9564 12.9564 13.9404 13.9404 14.0810 14.0810 17.2341 17.2341 17.3608 17.3608 k = 0.0660-0.0381 0.0539 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5671 -20.5671 -20.5668 -20.5668 -8.7110 -8.7110 -8.7083 -8.7083 -7.7174 -7.7174 -7.6699 -7.6699 -7.6670 -7.6670 2.8587 2.8587 9.6603 9.6603 9.8139 9.8139 9.8672 9.8672 10.7623 10.7623 10.7883 10.7883 12.9010 12.9010 12.9134 12.9134 12.9473 12.9473 13.8928 13.8928 14.0817 14.0817 17.1959 17.1959 17.3015 17.3015 k = 0.0755-0.0436 0.0616 ( 4292 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5672 -20.5672 -20.5668 -20.5668 -8.7112 -8.7112 -8.7082 -8.7082 -7.7175 -7.7175 -7.6701 -7.6701 -7.6668 -7.6668 2.8799 2.8799 9.6458 9.6458 9.8161 9.8161 9.8778 9.8778 10.7642 10.7642 10.7959 10.7959 12.8837 12.8837 12.8977 12.8977 12.9374 12.9374 13.8394 13.8394 14.0825 14.0825 17.1534 17.1534 17.2426 17.2426 k = 0.0849-0.0490 0.0693 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2180 -21.2180 -20.5673 -20.5673 -20.5668 -20.5668 -8.7115 -8.7115 -8.7081 -8.7081 -7.7177 -7.7177 -7.6702 -7.6702 -7.6666 -7.6666 2.9038 2.9038 9.6271 9.6271 9.8213 9.8213 9.8898 9.8898 10.7663 10.7663 10.8041 10.8041 12.8645 12.8645 12.8799 12.8799 12.9266 12.9266 13.7808 13.7808 14.0834 14.0834 17.0990 17.0990 17.1927 17.1927 k = 0.0943-0.0545 0.0770 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2181 -21.2181 -20.5675 -20.5675 -20.5669 -20.5669 -8.7117 -8.7117 -8.7080 -8.7080 -7.7178 -7.7178 -7.6704 -7.6704 -7.6664 -7.6664 2.9304 2.9304 9.6044 9.6044 9.8292 9.8292 9.9032 9.9032 10.7686 10.7686 10.8129 10.8129 12.8436 12.8436 12.8601 12.8601 12.9147 12.9147 13.7178 13.7178 14.0844 14.0844 17.0293 17.0293 17.1088 17.1088 k = 0.1038-0.0599 0.0847 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2182 -21.2182 -20.5677 -20.5677 -20.5669 -20.5669 -8.7120 -8.7120 -8.7079 -8.7079 -7.7180 -7.7180 -7.6705 -7.6705 -7.6662 -7.6662 2.9598 2.9598 9.5782 9.5782 9.8396 9.8396 9.9179 9.9179 10.7712 10.7712 10.8223 10.8223 12.8211 12.8211 12.8384 12.8384 12.9017 12.9017 13.6511 13.6511 14.0855 14.0855 16.9493 16.9493 17.0172 17.0172 k = 0.1132-0.0654 0.0924 ( 4288 PWs) bands (ev): -44.4824 -44.4824 -21.2183 -21.2183 -20.5678 -20.5678 -20.5669 -20.5669 -8.7122 -8.7122 -8.7078 -8.7078 -7.7182 -7.7182 -7.6706 -7.6706 -7.6660 -7.6660 2.9918 2.9918 9.5487 9.5487 9.8523 9.8523 9.9339 9.9339 10.7741 10.7741 10.8320 10.8320 12.7970 12.7970 12.8152 12.8152 12.8872 12.8872 13.5817 13.5817 14.0867 14.0867 16.8632 16.8632 16.9233 16.9233 k = 0.1226-0.0708 0.1001 ( 4280 PWs) bands (ev): -44.4824 -44.4824 -21.2184 -21.2184 -20.5680 -20.5680 -20.5670 -20.5670 -8.7125 -8.7125 -8.7077 -8.7077 -7.7184 -7.7184 -7.6707 -7.6707 -7.6658 -7.6658 3.0265 3.0265 9.5164 9.5164 9.8669 9.8669 9.9513 9.9513 10.7771 10.7771 10.8422 10.8422 12.7717 12.7717 12.7904 12.7904 12.8710 12.8710 13.5103 13.5103 14.0880 14.0880 16.7731 16.7731 16.8274 16.8274 k = 0.1321-0.0763 0.1078 ( 4272 PWs) bands (ev): -44.4824 -44.4824 -21.2185 -21.2185 -20.5682 -20.5682 -20.5670 -20.5670 -8.7128 -8.7128 -8.7077 -8.7077 -7.7186 -7.7186 -7.6708 -7.6708 -7.6657 -7.6657 3.0637 3.0637 9.4816 9.4816 9.8832 9.8832 9.9699 9.9699 10.7803 10.7803 10.8526 10.8526 12.7451 12.7451 12.7643 12.7643 12.8526 12.8526 13.4383 13.4383 14.0894 14.0894 16.6802 16.6802 16.7301 16.7301 k = 0.1415-0.0817 0.1155 ( 4276 PWs) bands (ev): -44.4824 -44.4824 -21.2186 -21.2186 -20.5684 -20.5684 -20.5671 -20.5671 -8.7130 -8.7130 -8.7076 -8.7076 -7.7188 -7.7188 -7.6709 -7.6709 -7.6655 -7.6655 3.1036 3.1036 9.4445 9.4445 9.9012 9.9012 9.9898 9.9898 10.7838 10.7838 10.8631 10.8631 12.7174 12.7174 12.7370 12.7370 12.8313 12.8313 13.3669 13.3669 14.0909 14.0909 16.5852 16.5852 16.6316 16.6316 k = 0.1509-0.0871 0.1232 ( 4280 PWs) bands (ev): -44.4823 -44.4823 -21.2187 -21.2187 -20.5687 -20.5687 -20.5671 -20.5671 -8.7133 -8.7133 -8.7076 -8.7076 -7.7191 -7.7191 -7.6710 -7.6710 -7.6653 -7.6653 3.1459 3.1459 9.4054 9.4054 9.9207 9.9207 10.0109 10.0109 10.7874 10.7874 10.8736 10.8736 12.6888 12.6888 12.7085 12.7085 12.8062 12.8062 13.2977 13.2977 14.0924 14.0924 16.4886 16.4886 16.5323 16.5323 k = 0.1604-0.0926 0.1309 ( 4272 PWs) bands (ev): -44.4823 -44.4823 -21.2188 -21.2188 -20.5689 -20.5689 -20.5672 -20.5672 -8.7136 -8.7136 -8.7076 -8.7076 -7.7193 -7.7193 -7.6710 -7.6710 -7.6652 -7.6652 3.1907 3.1907 9.3643 9.3643 9.9415 9.9415 10.0332 10.0332 10.7911 10.7911 10.8841 10.8841 12.6593 12.6593 12.6791 12.6791 12.7761 12.7761 13.2326 13.2326 14.0941 14.0941 16.3909 16.3909 16.4323 16.4323 k = 0.1698-0.0980 0.1387 ( 4272 PWs) bands (ev): -44.4823 -44.4823 -21.2190 -21.2190 -20.5691 -20.5691 -20.5672 -20.5672 -8.7138 -8.7138 -8.7076 -8.7076 -7.7196 -7.7196 -7.6711 -7.6711 -7.6650 -7.6650 3.2379 3.2379 9.3216 9.3216 9.9636 9.9636 10.0567 10.0567 10.7950 10.7950 10.8945 10.8945 12.6288 12.6288 12.6486 12.6486 12.7399 12.7399 13.1734 13.1734 14.0958 14.0958 16.2923 16.2923 16.3319 16.3319 k = 0.1792-0.1035 0.1464 ( 4272 PWs) bands (ev): -44.4822 -44.4822 -21.2191 -21.2191 -20.5694 -20.5694 -20.5673 -20.5673 -8.7141 -8.7141 -8.7076 -8.7076 -7.7199 -7.7199 -7.6711 -7.6711 -7.6649 -7.6649 3.2874 3.2874 9.2772 9.2772 9.9870 9.9870 10.0813 10.0813 10.7990 10.7990 10.9045 10.9045 12.5970 12.5970 12.6172 12.6172 12.6971 12.6971 13.1219 13.1219 14.0976 14.0976 16.1932 16.1932 16.2313 16.2313 k = 0.1887-0.1089 0.1541 ( 4272 PWs) bands (ev): -44.4822 -44.4822 -21.2192 -21.2192 -20.5696 -20.5696 -20.5673 -20.5673 -8.7144 -8.7144 -8.7076 -8.7076 -7.7202 -7.7202 -7.6711 -7.6711 -7.6647 -7.6647 3.3392 3.3392 9.2315 9.2315 10.0115 10.0115 10.1071 10.1071 10.8032 10.8032 10.9142 10.9142 12.5627 12.5627 12.5849 12.5849 12.6488 12.6488 13.0787 13.0787 14.0994 14.0994 16.0938 16.0938 16.1307 16.1307 k = 0.1981-0.1144 0.1618 ( 4272 PWs) bands (ev): -44.4822 -44.4822 -21.2194 -21.2194 -20.5699 -20.5699 -20.5674 -20.5674 -8.7146 -8.7146 -8.7076 -8.7076 -7.7205 -7.7205 -7.6711 -7.6711 -7.6646 -7.6646 3.3933 3.3933 9.1845 9.1845 10.0371 10.0371 10.1338 10.1338 10.8074 10.8074 10.9234 10.9234 12.5225 12.5225 12.5519 12.5519 12.5990 12.5990 13.0439 13.0439 14.1014 14.1014 15.9944 15.9944 16.0302 16.0302 k = 0.2075-0.1198 0.1695 ( 4268 PWs) bands (ev): -44.4821 -44.4821 -21.2195 -21.2195 -20.5701 -20.5701 -20.5675 -20.5675 -8.7149 -8.7149 -8.7077 -8.7077 -7.7208 -7.7208 -7.6711 -7.6711 -7.6645 -7.6645 3.4495 3.4495 9.1362 9.1362 10.0637 10.0637 10.1616 10.1616 10.8117 10.8117 10.9320 10.9320 12.4708 12.4708 12.5192 12.5192 12.5537 12.5537 13.0163 13.0163 14.1034 14.1034 15.8952 15.8952 15.9300 15.9300 k = 0.2170-0.1253 0.1772 ( 4260 PWs) bands (ev): -44.4821 -44.4821 -21.2196 -21.2196 -20.5704 -20.5704 -20.5675 -20.5675 -8.7151 -8.7151 -8.7077 -8.7077 -7.7211 -7.7211 -7.6711 -7.6711 -7.6643 -7.6643 3.5077 3.5077 9.0869 9.0869 10.0912 10.0912 10.1903 10.1903 10.8161 10.8161 10.9399 10.9399 12.4071 12.4071 12.4875 12.4875 12.5150 12.5150 12.9946 12.9946 14.1054 14.1054 15.7963 15.7963 15.8303 15.8303 k = 0.2264-0.1307 0.1849 ( 4268 PWs) bands (ev): -44.4821 -44.4821 -21.2198 -21.2198 -20.5706 -20.5706 -20.5676 -20.5676 -8.7154 -8.7154 -8.7078 -8.7078 -7.7214 -7.7214 -7.6711 -7.6711 -7.6642 -7.6642 3.5679 3.5679 9.0366 9.0366 10.1196 10.1196 10.2200 10.2200 10.8205 10.8205 10.9470 10.9470 12.3356 12.3356 12.4567 12.4567 12.4804 12.4804 12.9777 12.9777 14.1075 14.1075 15.6980 15.6980 15.7311 15.7311 k = 0.2358-0.1362 0.1926 ( 4256 PWs) bands (ev): -44.4820 -44.4820 -21.2199 -21.2199 -20.5709 -20.5709 -20.5677 -20.5677 -8.7156 -8.7156 -8.7078 -8.7078 -7.7217 -7.7217 -7.6711 -7.6711 -7.6641 -7.6641 3.6301 3.6301 8.9853 8.9853 10.1488 10.1488 10.2504 10.2504 10.8250 10.8250 10.9532 10.9532 12.2600 12.2600 12.4266 12.4266 12.4479 12.4479 12.9645 12.9645 14.1097 14.1097 15.6005 15.6005 15.6327 15.6327 k = 0.2453-0.1416 0.2003 ( 4256 PWs) bands (ev): -44.4820 -44.4820 -21.2201 -21.2201 -20.5712 -20.5712 -20.5677 -20.5677 -8.7159 -8.7159 -8.7079 -8.7079 -7.7221 -7.7221 -7.6710 -7.6710 -7.6640 -7.6640 3.6939 3.6939 8.9333 8.9333 10.1787 10.1787 10.2817 10.2817 10.8294 10.8294 10.9585 10.9585 12.1825 12.1825 12.3972 12.3972 12.4167 12.4167 12.9543 12.9543 14.1119 14.1119 15.5038 15.5038 15.5352 15.5352 k = 0.2547-0.1471 0.2080 ( 4256 PWs) bands (ev): -44.4820 -44.4820 -21.2202 -21.2202 -20.5714 -20.5714 -20.5678 -20.5678 -8.7161 -8.7161 -8.7080 -8.7080 -7.7224 -7.7224 -7.6710 -7.6710 -7.6639 -7.6639 3.7595 3.7595 8.8805 8.8805 10.2093 10.2093 10.3136 10.3136 10.8338 10.8338 10.9627 10.9627 12.1042 12.1042 12.3683 12.3683 12.3867 12.3867 12.9464 12.9464 14.1141 14.1141 15.4082 15.4082 15.4387 15.4387 k = 0.2642-0.1525 0.2157 ( 4260 PWs) bands (ev): -44.4819 -44.4819 -21.2204 -21.2204 -20.5717 -20.5717 -20.5679 -20.5679 -8.7164 -8.7164 -8.7081 -8.7081 -7.7227 -7.7227 -7.6710 -7.6710 -7.6638 -7.6638 3.8266 3.8266 8.8270 8.8270 10.2403 10.2403 10.3461 10.3461 10.8382 10.8382 10.9658 10.9658 12.0262 12.0262 12.3401 12.3401 12.3577 12.3577 12.9406 12.9406 14.1163 14.1163 15.3138 15.3138 15.3433 15.3433 k = 0.2736-0.1580 0.2234 ( 4268 PWs) bands (ev): -44.4819 -44.4819 -21.2205 -21.2205 -20.5719 -20.5719 -20.5679 -20.5679 -8.7166 -8.7166 -8.7082 -8.7082 -7.7230 -7.7230 -7.6709 -7.6709 -7.6637 -7.6637 3.8951 3.8951 8.7729 8.7729 10.2718 10.2718 10.3792 10.3792 10.8425 10.8425 10.9679 10.9679 11.9489 11.9489 12.3125 12.3125 12.3299 12.3299 12.9366 12.9366 14.1185 14.1185 15.2207 15.2207 15.2492 15.2492 k = 0.2830-0.1634 0.2311 ( 4268 PWs) bands (ev): -44.4819 -44.4819 -21.2206 -21.2206 -20.5722 -20.5722 -20.5680 -20.5680 -8.7168 -8.7168 -8.7083 -8.7083 -7.7234 -7.7234 -7.6709 -7.6709 -7.6636 -7.6636 3.9649 3.9649 8.7182 8.7182 10.3036 10.3036 10.4127 10.4127 10.8468 10.8468 10.9687 10.9687 11.8729 11.8729 12.2855 12.2855 12.3033 12.3033 12.9340 12.9340 14.1207 14.1207 15.1291 15.1291 15.1566 15.1566 k = 0.2925-0.1688 0.2388 ( 4268 PWs) bands (ev): -44.4818 -44.4818 -21.2208 -21.2208 -20.5724 -20.5724 -20.5680 -20.5680 -8.7170 -8.7170 -8.7084 -8.7084 -7.7237 -7.7237 -7.6708 -7.6708 -7.6635 -7.6635 4.0358 4.0358 8.6631 8.6631 10.3355 10.3355 10.4465 10.4465 10.8508 10.8508 10.9684 10.9684 11.7985 11.7985 12.2591 12.2591 12.2780 12.2780 12.9327 12.9327 14.1230 14.1230 15.0391 15.0391 15.0654 15.0654 k = 0.3019-0.1743 0.2465 ( 4260 PWs) bands (ev): -44.4818 -44.4818 -21.2209 -21.2209 -20.5726 -20.5726 -20.5681 -20.5681 -8.7172 -8.7172 -8.7085 -8.7085 -7.7240 -7.7240 -7.6708 -7.6708 -7.6635 -7.6635 4.1076 4.1076 8.6076 8.6076 10.3676 10.3676 10.4805 10.4805 10.8548 10.8548 10.9670 10.9670 11.7261 11.7261 12.2335 12.2335 12.2543 12.2543 12.9325 12.9325 14.1252 14.1252 14.9510 14.9510 14.9760 14.9760 k = 0.3113-0.1797 0.2542 ( 4268 PWs) bands (ev): -44.4817 -44.4817 -21.2210 -21.2210 -20.5729 -20.5729 -20.5682 -20.5682 -8.7174 -8.7174 -8.7086 -8.7086 -7.7243 -7.7243 -7.6707 -7.6707 -7.6634 -7.6634 4.1802 4.1802 8.5518 8.5518 10.3996 10.3996 10.5145 10.5145 10.8585 10.8585 10.9645 10.9645 11.6559 11.6559 12.2085 12.2085 12.2321 12.2321 12.9334 12.9334 14.1274 14.1274 14.8647 14.8647 14.8885 14.8885 k = 0.3208-0.1852 0.2619 ( 4268 PWs) bands (ev): -44.4817 -44.4817 -21.2211 -21.2211 -20.5731 -20.5731 -20.5682 -20.5682 -8.7176 -8.7176 -8.7087 -8.7087 -7.7246 -7.7246 -7.6707 -7.6707 -7.6633 -7.6633 4.2534 4.2534 8.4957 8.4957 10.4315 10.4315 10.5484 10.5484 10.8620 10.8620 10.9611 10.9611 11.5882 11.5882 12.1845 12.1845 12.2114 12.2114 12.9352 12.9352 14.1295 14.1295 14.7806 14.7806 14.8029 14.8029 k = 0.3302-0.1906 0.2696 ( 4276 PWs) bands (ev): -44.4817 -44.4817 -21.2213 -21.2213 -20.5733 -20.5733 -20.5683 -20.5683 -8.7178 -8.7178 -8.7088 -8.7088 -7.7249 -7.7249 -7.6707 -7.6707 -7.6632 -7.6632 4.3268 4.3268 8.4395 8.4395 10.4630 10.4630 10.5820 10.5820 10.8652 10.8652 10.9569 10.9569 11.5232 11.5232 12.1614 12.1614 12.1923 12.1923 12.9379 12.9379 14.1316 14.1316 14.6987 14.6987 14.7196 14.7196 k = 0.3396-0.1961 0.2773 ( 4280 PWs) bands (ev): -44.4817 -44.4817 -21.2214 -21.2214 -20.5735 -20.5735 -20.5683 -20.5683 -8.7180 -8.7180 -8.7089 -8.7089 -7.7252 -7.7252 -7.6706 -7.6706 -7.6631 -7.6631 4.4004 4.4004 8.3832 8.3832 10.4939 10.4939 10.6151 10.6151 10.8680 10.8680 10.9520 10.9520 11.4611 11.4611 12.1394 12.1394 12.1749 12.1749 12.9412 12.9412 14.1337 14.1337 14.6193 14.6193 14.6385 14.6385 k = 0.3491-0.2015 0.2850 ( 4272 PWs) bands (ev): -44.4816 -44.4816 -21.2215 -21.2215 -20.5737 -20.5737 -20.5684 -20.5684 -8.7181 -8.7181 -8.7090 -8.7090 -7.7255 -7.7255 -7.6706 -7.6706 -7.6631 -7.6631 4.4737 4.4737 8.3272 8.3272 10.5242 10.5242 10.6473 10.6473 10.8704 10.8704 10.9468 10.9468 11.4021 11.4021 12.1185 12.1185 12.1591 12.1591 12.9451 12.9451 14.1356 14.1356 14.5425 14.5425 14.5600 14.5600 k = 0.3585-0.2070 0.2927 ( 4276 PWs) bands (ev): -44.4816 -44.4816 -21.2216 -21.2216 -20.5739 -20.5739 -20.5684 -20.5684 -8.7183 -8.7183 -8.7092 -8.7092 -7.7258 -7.7258 -7.6706 -7.6706 -7.6630 -7.6630 4.5466 4.5466 8.2714 8.2714 10.5537 10.5537 10.6783 10.6783 10.8724 10.8724 10.9416 10.9416 11.3464 11.3464 12.0988 12.0988 12.1449 12.1449 12.9495 12.9495 14.1375 14.1375 14.4685 14.4685 14.4843 14.4843 k = 0.3679-0.2124 0.3004 ( 4276 PWs) bands (ev): -44.4816 -44.4816 -21.2217 -21.2217 -20.5741 -20.5741 -20.5685 -20.5685 -8.7184 -8.7184 -8.7093 -8.7093 -7.7260 -7.7260 -7.6705 -7.6705 -7.6629 -7.6629 4.6185 4.6185 8.2161 8.2161 10.5821 10.5821 10.7074 10.7074 10.8740 10.8740 10.9367 10.9367 11.2941 11.2941 12.0804 12.0804 12.1324 12.1324 12.9543 12.9543 14.1393 14.1393 14.3977 14.3977 14.4115 14.4115 k = 0.3774-0.2179 0.3081 ( 4276 PWs) bands (ev): -44.4815 -44.4815 -21.2218 -21.2218 -20.5743 -20.5743 -20.5685 -20.5685 -8.7186 -8.7186 -8.7094 -8.7094 -7.7263 -7.7263 -7.6705 -7.6705 -7.6629 -7.6629 4.6893 4.6893 8.1616 8.1616 10.6093 10.6093 10.7339 10.7339 10.8757 10.8757 10.9326 10.9326 11.2454 11.2454 12.0632 12.0632 12.1216 12.1216 12.9593 12.9593 14.1408 14.1408 14.3301 14.3301 14.3418 14.3418 k = 0.3868-0.2233 0.3158 ( 4284 PWs) bands (ev): -44.4815 -44.4815 -21.2219 -21.2219 -20.5744 -20.5744 -20.5686 -20.5686 -8.7187 -8.7187 -8.7095 -8.7095 -7.7265 -7.7265 -7.6705 -7.6705 -7.6628 -7.6628 4.7583 4.7583 8.1081 8.1081 10.6351 10.6351 10.7565 10.7565 10.8782 10.8782 10.9297 10.9297 11.2004 11.2004 12.0473 12.0473 12.1124 12.1124 12.9646 12.9646 14.1421 14.1421 14.2663 14.2663 14.2756 14.2756 k = 0.3962-0.2288 0.3235 ( 4292 PWs) bands (ev): -44.4815 -44.4815 -21.2220 -21.2220 -20.5746 -20.5746 -20.5686 -20.5686 -8.7188 -8.7188 -8.7096 -8.7096 -7.7267 -7.7267 -7.6705 -7.6705 -7.6627 -7.6627 4.8253 4.8253 8.0560 8.0560 10.6594 10.6594 10.7734 10.7734 10.8830 10.8830 10.9282 10.9282 11.1594 11.1594 12.0329 12.0329 12.1048 12.1048 12.9699 12.9699 14.1424 14.1424 14.2069 14.2069 14.2132 14.2132 k = 0.4057-0.2342 0.3312 ( 4292 PWs) bands (ev): -44.4815 -44.4815 -21.2220 -21.2220 -20.5747 -20.5747 -20.5687 -20.5687 -8.7189 -8.7189 -8.7097 -8.7097 -7.7269 -7.7269 -7.6705 -7.6705 -7.6627 -7.6627 4.8897 4.8897 8.0057 8.0057 10.6818 10.6818 10.7834 10.7834 10.8909 10.8909 10.9283 10.9283 11.1223 11.1223 12.0197 12.0197 12.0986 12.0986 12.9751 12.9751 14.1344 14.1344 14.1539 14.1539 14.1605 14.1605 k = 0.4151-0.2397 0.3389 ( 4288 PWs) bands (ev): -44.4815 -44.4815 -21.2221 -21.2221 -20.5748 -20.5748 -20.5687 -20.5687 -8.7190 -8.7190 -8.7098 -8.7098 -7.7271 -7.7271 -7.6705 -7.6705 -7.6626 -7.6626 4.9508 4.9508 7.9576 7.9576 10.7023 10.7023 10.7867 10.7867 10.9011 10.9011 10.9309 10.9309 11.0895 11.0895 12.0080 12.0080 12.0938 12.0938 12.9803 12.9803 14.0925 14.0925 14.0999 14.0999 14.1510 14.1510 k = 0.4245-0.2451 0.3466 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2222 -21.2222 -20.5749 -20.5749 -20.5687 -20.5687 -8.7191 -8.7191 -8.7099 -8.7099 -7.7273 -7.7273 -7.6705 -7.6705 -7.6625 -7.6625 5.0081 5.0081 7.9122 7.9122 10.7207 10.7207 10.7849 10.7849 10.9098 10.9098 10.9378 10.9378 11.0609 11.0609 11.9976 11.9976 12.0903 12.0903 12.9852 12.9852 14.0460 14.0460 14.0502 14.0502 14.1508 14.1508 k = 0.4340-0.2505 0.3543 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2222 -21.2222 -20.5750 -20.5750 -20.5687 -20.5687 -8.7192 -8.7192 -8.7099 -8.7099 -7.7274 -7.7274 -7.6705 -7.6705 -7.6625 -7.6625 5.0611 5.0611 7.8700 7.8700 10.7369 10.7369 10.7801 10.7801 10.9149 10.9149 10.9491 10.9491 11.0366 11.0366 11.9885 11.9885 12.0878 12.0878 12.9898 12.9898 14.0034 14.0034 14.0053 14.0053 14.1515 14.1515 k = 0.4434-0.2560 0.3620 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2223 -21.2223 -20.5751 -20.5751 -20.5688 -20.5688 -8.7193 -8.7193 -8.7100 -8.7100 -7.7275 -7.7275 -7.6704 -7.6704 -7.6625 -7.6625 5.1088 5.1088 7.8318 7.8318 10.7508 10.7508 10.7738 10.7738 10.9175 10.9175 10.9618 10.9618 11.0170 11.0170 11.9808 11.9808 12.0863 12.0863 12.9940 12.9940 13.9651 13.9651 13.9660 13.9660 14.1522 14.1522 k = 0.4528-0.2614 0.3697 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2223 -21.2223 -20.5752 -20.5752 -20.5688 -20.5688 -8.7193 -8.7193 -8.7101 -8.7101 -7.7276 -7.7276 -7.6704 -7.6704 -7.6624 -7.6624 5.1508 5.1508 7.7980 7.7980 10.7621 10.7621 10.7673 10.7673 10.9191 10.9191 10.9722 10.9722 11.0032 11.0032 11.9744 11.9744 12.0854 12.0854 12.9976 12.9976 13.9310 13.9310 13.9333 13.9333 14.1529 14.1529 k = 0.4623-0.2669 0.3774 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2223 -21.2223 -20.5752 -20.5752 -20.5688 -20.5688 -8.7194 -8.7194 -8.7101 -8.7101 -7.7277 -7.7277 -7.6704 -7.6704 -7.6624 -7.6624 5.1863 5.1863 7.7692 7.7692 10.7607 10.7607 10.7714 10.7714 10.9201 10.9201 10.9746 10.9746 10.9995 10.9995 11.9692 11.9692 12.0850 12.0850 13.0007 13.0007 13.9026 13.9026 13.9062 13.9063 14.1535 14.1535 k = 0.4717-0.2723 0.3851 ( 4260 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5753 -20.5753 -20.5688 -20.5688 -8.7194 -8.7194 -8.7101 -8.7101 -7.7278 -7.7278 -7.6704 -7.6704 -7.6624 -7.6624 5.2147 5.2147 7.7462 7.7462 10.7553 10.7553 10.7782 10.7782 10.9207 10.9207 10.9697 10.9697 11.0044 11.0044 11.9652 11.9652 12.0850 12.0850 13.0032 13.0032 13.8801 13.8801 13.8850 13.8850 14.1540 14.1540 k = 0.4811-0.2778 0.3928 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5753 -20.5753 -20.5688 -20.5688 -8.7194 -8.7194 -8.7102 -8.7102 -7.7278 -7.7278 -7.6704 -7.6704 -7.6623 -7.6623 5.2354 5.2354 7.7293 7.7293 10.7511 10.7511 10.7829 10.7829 10.9212 10.9212 10.9646 10.9646 11.0101 11.0101 11.9624 11.9624 12.0851 12.0851 13.0050 13.0050 13.8639 13.8639 13.8696 13.8696 14.1544 14.1544 k = 0.4906-0.2832 0.4005 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5753 -20.5753 -20.5688 -20.5688 -8.7194 -8.7194 -8.7102 -8.7102 -7.7279 -7.7279 -7.6704 -7.6704 -7.6623 -7.6623 5.2480 5.2480 7.7190 7.7190 10.7485 10.7485 10.7856 10.7856 10.9214 10.9214 10.9613 10.9613 11.0139 11.0139 11.9607 11.9607 12.0852 12.0852 13.0061 13.0061 13.8541 13.8541 13.8604 13.8604 14.1546 14.1546 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5754 -20.5754 -20.5688 -20.5688 -8.7194 -8.7194 -8.7102 -8.7102 -7.7279 -7.7279 -7.6704 -7.6704 -7.6623 -7.6623 5.2522 5.2522 7.7156 7.7156 10.7476 10.7476 10.7865 10.7865 10.9215 10.9215 10.9602 10.9602 11.0152 11.0152 11.9602 11.9602 12.0852 12.0852 13.0065 13.0065 13.8508 13.8508 13.8573 13.8573 14.1547 14.1547 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5754 -20.5754 -20.5688 -20.5688 -8.7194 -8.7194 -8.7102 -8.7102 -7.7279 -7.7279 -7.6704 -7.6704 -7.6623 -7.6623 5.2522 5.2522 7.7156 7.7156 10.7476 10.7476 10.7865 10.7865 10.9215 10.9215 10.9602 10.9602 11.0152 11.0152 11.9602 11.9602 12.0852 12.0852 13.0065 13.0065 13.8508 13.8508 13.8573 13.8573 14.1547 14.1547 k = 0.5000-0.2780 0.4158 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5754 -20.5753 -20.5689 -20.5688 -8.7195 -8.7194 -8.7105 -8.7099 -7.7280 -7.7278 -7.6708 -7.6701 -7.6625 -7.6621 5.2521 5.2524 7.7161 7.7182 10.7456 10.7488 10.7667 10.7995 10.9189 10.9194 10.9349 10.9732 11.0207 11.0286 11.9555 11.9627 12.0805 12.0872 13.0058 13.0083 13.8469 13.8471 13.8546 13.8579 14.1584 14.1611 k = 0.5000-0.2673 0.4234 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2224 -20.5754 -20.5753 -20.5689 -20.5688 -8.7196 -8.7193 -8.7109 -8.7095 -7.7281 -7.7276 -7.6712 -7.6697 -7.6627 -7.6620 5.2520 5.2526 7.7198 7.7242 10.7339 10.7498 10.7501 10.8012 10.8945 10.9155 10.9308 10.9727 11.0337 11.0572 11.9487 11.9631 12.0731 12.0863 13.0063 13.0112 13.8311 13.8341 13.8559 13.8596 14.1709 14.1760 k = 0.5000-0.2566 0.4309 ( 4254 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5752 -20.5689 -20.5688 -8.7197 -8.7192 -8.7112 -8.7092 -7.7282 -7.7275 -7.6715 -7.6694 -7.6629 -7.6618 5.2520 5.2529 7.7267 7.7333 10.7028 10.7468 10.7504 10.7832 10.8749 10.9119 10.9331 10.9704 11.0495 11.0882 11.9400 11.9615 12.0630 12.0827 13.0079 13.0151 13.8081 13.8133 13.8591 13.8635 14.1891 14.1963 k = 0.5000-0.2459 0.4385 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5752 -20.5690 -20.5689 -8.7197 -8.7191 -8.7116 -8.7089 -7.7283 -7.7273 -7.6719 -7.6691 -7.6632 -7.6616 5.2521 5.2533 7.7368 7.7456 10.6644 10.7418 10.7453 10.7531 10.8693 10.9080 10.9362 10.9693 11.0663 11.1181 11.9293 11.9579 12.0506 12.0766 13.0105 13.0198 13.7814 13.7884 13.8637 13.8691 14.2097 14.2187 k = 0.5000-0.2352 0.4460 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5751 -20.5690 -20.5689 -8.7198 -8.7190 -8.7119 -8.7085 -7.7284 -7.7272 -7.6722 -7.6687 -7.6634 -7.6614 5.2522 5.2537 7.7500 7.7612 10.6208 10.6918 10.7441 10.7526 10.8697 10.9042 10.9397 10.9697 11.0833 11.1460 11.9169 11.9525 12.0361 12.0683 13.0140 13.0253 13.7531 13.7617 13.8697 13.8760 14.2302 14.2407 k = 0.5000-0.2245 0.4536 ( 4258 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2223 -20.5754 -20.5751 -20.5691 -20.5689 -8.7199 -8.7189 -8.7122 -8.7082 -7.7285 -7.7270 -7.6726 -7.6684 -7.6636 -7.6613 5.2524 5.2542 7.7663 7.7799 10.5725 10.6340 10.7428 10.7530 10.8718 10.9003 10.9437 10.9717 11.0999 11.1718 11.9029 11.9455 12.0198 12.0580 13.0184 13.0313 13.7246 13.7347 13.8768 13.8842 14.2491 14.2609 k = 0.5000-0.2138 0.4612 ( 4258 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2222 -20.5753 -20.5750 -20.5691 -20.5690 -8.7199 -8.7188 -8.7126 -8.7079 -7.7286 -7.7269 -7.6729 -7.6681 -7.6638 -7.6611 5.2526 5.2547 7.7856 7.8017 10.5200 10.5716 10.7416 10.7533 10.8741 10.8965 10.9483 10.9750 11.1156 11.1955 11.8875 11.9369 12.0020 12.0460 13.0234 13.0378 13.6970 13.7085 13.8851 13.8934 14.2655 14.2783 k = 0.5000-0.2031 0.4687 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2222 -20.5753 -20.5749 -20.5692 -20.5690 -8.7200 -8.7187 -8.7129 -8.7076 -7.7287 -7.7267 -7.6733 -7.6678 -7.6641 -7.6610 5.2528 5.2552 7.8079 7.8267 10.4636 10.5053 10.7403 10.7536 10.8761 10.8928 10.9535 10.9795 11.1305 11.2171 11.8709 11.9271 11.9831 12.0328 13.0289 13.0445 13.6707 13.6836 13.8942 13.9035 14.2792 14.2927 k = 0.5000-0.1925 0.4763 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2222 -20.5753 -20.5748 -20.5693 -20.5691 -8.7200 -8.7186 -8.7132 -8.7073 -7.7288 -7.7266 -7.6736 -7.6676 -7.6643 -7.6608 5.2532 5.2558 7.8331 7.8548 10.4038 10.4357 10.7389 10.7536 10.8778 10.8892 10.9594 10.9850 11.1442 11.2367 11.8534 11.9162 11.9634 12.0187 13.0347 13.0514 13.6460 13.6604 13.9042 13.9144 14.2903 14.3042 k = 0.5000-0.1818 0.4838 ( 4260 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2222 -20.5752 -20.5748 -20.5694 -20.5692 -8.7201 -8.7185 -8.7135 -8.7070 -7.7289 -7.7264 -7.6739 -7.6673 -7.6645 -7.6607 5.2535 5.2564 7.8611 7.8859 10.3410 10.3633 10.7374 10.7535 10.8791 10.8856 10.9658 10.9914 11.1569 11.2545 11.8351 11.9045 11.9432 12.0039 13.0408 13.0584 13.6233 13.6391 13.9147 13.9258 14.2990 14.3132 k = 0.5000-0.1711 0.4914 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2222 -20.5752 -20.5747 -20.5695 -20.5693 -8.7201 -8.7185 -8.7138 -8.7068 -7.7289 -7.7263 -7.6742 -7.6671 -7.6647 -7.6605 5.2539 5.2571 7.8918 7.9199 10.2754 10.2884 10.7358 10.7533 10.8802 10.8820 10.9729 10.9986 11.1685 11.2705 11.8162 11.8921 11.9228 11.9889 13.0469 13.0652 13.6025 13.6196 13.9256 13.9376 14.3057 14.3200 k = 0.5000-0.1604 0.4990 ( 4274 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2221 -20.5751 -20.5746 -20.5696 -20.5693 -8.7202 -8.7184 -8.7141 -8.7065 -7.7290 -7.7261 -7.6745 -7.6668 -7.6650 -7.6604 5.2543 5.2577 7.9252 7.9569 10.2075 10.2114 10.7342 10.7528 10.8786 10.8809 10.9806 11.0065 11.1789 11.2850 11.7970 11.8792 11.9025 11.9738 13.0531 13.0719 13.5836 13.6020 13.9368 13.9496 14.3106 14.3249 k = 0.5000-0.1497 0.5065 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5750 -20.5745 -20.5697 -20.5694 -8.7202 -8.7183 -8.7143 -8.7063 -7.7290 -7.7260 -7.6748 -7.6666 -7.6652 -7.6603 5.2547 5.2583 7.9610 7.9966 10.1326 10.1378 10.7324 10.7522 10.8752 10.8813 10.9888 11.0152 11.1883 11.2979 11.7776 11.8661 11.8827 11.9590 13.0590 13.0784 13.5666 13.5861 13.9481 13.9616 14.3143 14.3284 k = 0.5000-0.1390 0.5141 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5750 -20.5743 -20.5698 -20.5695 -8.7202 -8.7182 -8.7146 -8.7061 -7.7291 -7.7258 -7.6751 -7.6664 -7.6654 -7.6602 5.2551 5.2590 7.9990 8.0390 10.0525 10.0666 10.7306 10.7514 10.8719 10.8816 10.9975 11.0243 11.1966 11.3095 11.7583 11.8526 11.8636 11.9446 13.0648 13.0846 13.5513 13.5720 13.9593 13.9735 14.3168 14.3308 k = 0.5000-0.1283 0.5217 ( 4274 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5749 -20.5742 -20.5699 -20.5696 -8.7203 -8.7181 -8.7148 -8.7058 -7.7291 -7.7257 -7.6753 -7.6663 -7.6656 -7.6601 5.2555 5.2596 8.0392 8.0840 9.9714 9.9946 10.7287 10.7505 10.8688 10.8816 11.0065 11.0339 11.2038 11.3198 11.7392 11.8385 11.8460 11.9309 13.0704 13.0905 13.5378 13.5595 13.9702 13.9851 14.3184 14.3323 k = 0.5000-0.1176 0.5292 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5748 -20.5741 -20.5700 -20.5697 -8.7203 -8.7180 -8.7151 -8.7056 -7.7292 -7.7255 -7.6756 -7.6661 -7.6658 -7.6599 5.2559 5.2602 8.0811 8.1314 9.8898 9.9222 10.7269 10.7495 10.8658 10.8815 11.0159 11.0438 11.2101 11.3288 11.7205 11.8229 11.8312 11.9179 13.0756 13.0959 13.5258 13.5485 13.9807 13.9962 14.3194 14.3332 k = 0.5000-0.1069 0.5368 ( 4270 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2221 -20.5748 -20.5740 -20.5701 -20.5698 -8.7203 -8.7180 -8.7153 -8.7055 -7.7292 -7.7254 -7.6758 -7.6660 -7.6659 -7.6598 5.2563 5.2608 8.1246 8.1810 9.8081 9.8500 10.7250 10.7485 10.8630 10.8814 11.0253 11.0539 11.2154 11.3367 11.7024 11.8067 11.8184 11.9058 13.0804 13.1010 13.5153 13.5389 13.9908 14.0067 14.3199 14.3335 k = 0.5000-0.0962 0.5443 ( 4266 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2221 -20.5747 -20.5739 -20.5702 -20.5699 -8.7203 -8.7179 -8.7155 -8.7053 -7.7292 -7.7253 -7.6760 -7.6662 -7.6658 -7.6598 5.2567 5.2614 8.1691 8.2325 9.7268 9.7787 10.7231 10.7473 10.8604 10.8811 11.0348 11.0640 11.2198 11.3436 11.6851 11.7910 11.8069 11.8947 13.0849 13.1057 13.5062 13.5305 14.0001 14.0166 14.3199 14.3335 k = 0.5000-0.0855 0.5519 ( 4266 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5746 -20.5738 -20.5703 -20.5700 -8.7204 -8.7179 -8.7156 -8.7051 -7.7293 -7.7252 -7.6762 -7.6663 -7.6657 -7.6597 5.2571 5.2619 8.2141 8.2855 9.6466 9.7090 10.7213 10.7462 10.8580 10.8808 11.0441 11.0739 11.2233 11.3495 11.6688 11.7765 11.7964 11.8846 13.0889 13.1099 13.4983 13.5233 14.0088 14.0256 14.3198 14.3332 k = 0.5000-0.0748 0.5595 ( 4272 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5745 -20.5737 -20.5704 -20.5701 -8.7204 -8.7178 -8.7158 -8.7050 -7.7293 -7.7251 -7.6764 -7.6665 -7.6656 -7.6596 5.2575 5.2624 8.2591 8.3397 9.5679 9.6418 10.7196 10.7451 10.8558 10.8804 11.0531 11.0835 11.2261 11.3544 11.6536 11.7632 11.7870 11.8757 13.0925 13.1136 13.4915 13.5172 14.0166 14.0338 14.3194 14.3327 k = 0.5000-0.0642 0.5670 ( 4276 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5745 -20.5736 -20.5705 -20.5702 -8.7204 -8.7178 -8.7159 -8.7049 -7.7293 -7.7250 -7.6765 -7.6666 -7.6655 -7.6595 5.2578 5.2628 8.3031 8.3942 9.4918 9.5782 10.7180 10.7441 10.8539 10.8801 11.0615 11.0926 11.2281 11.3585 11.6398 11.7514 11.7786 11.8679 13.0957 13.1169 13.4858 13.5120 14.0235 14.0410 14.3189 14.3322 k = 0.5000-0.0535 0.5746 ( 4270 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5744 -20.5735 -20.5706 -20.5703 -8.7204 -8.7177 -8.7161 -8.7048 -7.7293 -7.7249 -7.6766 -7.6667 -7.6654 -7.6595 5.2580 5.2632 8.3450 8.4482 9.4194 9.5194 10.7166 10.7431 10.8523 10.8798 11.0693 11.1008 11.2295 11.3618 11.6277 11.7412 11.7714 11.8612 13.0983 13.1196 13.4811 13.5078 14.0294 14.0472 14.3185 14.3317 k = 0.5000-0.0428 0.5821 ( 4266 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5744 -20.5734 -20.5707 -20.5704 -8.7204 -8.7177 -8.7162 -8.7047 -7.7293 -7.7248 -7.6767 -7.6668 -7.6654 -7.6594 5.2583 5.2635 8.3833 8.4999 9.3523 9.4670 10.7154 10.7423 10.8509 10.8795 11.0760 11.1080 11.2304 11.3643 11.6174 11.7327 11.7654 11.8558 13.1005 13.1219 13.4774 13.5044 14.0344 14.0524 14.3180 14.3311 k = 0.5000-0.0321 0.5897 ( 4262 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7204 -8.7177 -8.7162 -8.7047 -7.7293 -7.7248 -7.6768 -7.6669 -7.6653 -7.6594 5.2584 5.2637 8.4164 8.5473 9.2930 9.4229 10.7145 10.7416 10.8499 10.8793 11.0816 11.1139 11.2309 11.3662 11.6091 11.7259 11.7607 11.8515 13.1022 13.1237 13.4745 13.5018 14.0382 14.0564 14.3176 14.3307 k = 0.5000-0.0214 0.5973 ( 4262 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5708 -20.5705 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6669 -7.6653 -7.6593 5.2586 5.2639 8.4422 8.5866 9.2450 9.3892 10.7138 10.7411 10.8491 10.8791 11.0857 11.1183 11.2311 11.3675 11.6031 11.7211 11.7573 11.8485 13.1035 13.1250 13.4725 13.5000 14.0410 14.0593 14.3173 14.3304 k = 0.5000-0.0107 0.6048 ( 4262 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5733 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6669 -7.6653 -7.6593 5.2586 5.2640 8.4587 8.6134 9.2130 9.3679 10.7133 10.7408 10.8486 10.8790 11.0883 11.1210 11.2312 11.3682 11.5994 11.7181 11.7552 11.8467 13.1042 13.1257 13.4713 13.4989 14.0427 14.0610 14.3171 14.3302 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2587 5.2640 8.4644 8.6231 9.2016 9.3606 10.7132 10.7407 10.8485 10.8789 11.0892 11.1219 11.2312 11.3685 11.5982 11.7171 11.7546 11.8460 13.1044 13.1260 13.4709 13.4986 14.0432 14.0616 14.3170 14.3301 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2587 5.2640 8.4644 8.6231 9.2016 9.3606 10.7132 10.7407 10.8485 10.8789 11.0892 11.1219 11.2312 11.3685 11.5982 11.7171 11.7546 11.8460 13.1044 13.1260 13.4709 13.4986 14.0432 14.0616 14.3170 14.3301 k = 0.4934 0.0114 0.6124 ( 4269 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2579 5.2633 8.4619 8.6186 9.2072 9.3640 10.7137 10.7408 10.8466 10.8787 11.0892 11.1220 11.2317 11.3687 11.5994 11.7181 11.7552 11.8466 13.1045 13.1261 13.4712 13.4989 14.0418 14.0600 14.3193 14.3325 k = 0.4868 0.0228 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5708 -20.5705 -8.7204 -8.7177 -8.7162 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6652 -7.6593 5.2559 5.2612 8.4547 8.6059 9.2226 9.3740 10.7152 10.7411 10.8412 10.8779 11.0893 11.1220 11.2333 11.3696 11.6028 11.7210 11.7573 11.8482 13.1049 13.1264 13.4718 13.4997 14.0371 14.0550 14.3263 14.3400 k = 0.4803 0.0342 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7204 -8.7178 -8.7160 -8.7047 -7.7293 -7.7247 -7.6768 -7.6671 -7.6652 -7.6594 5.2527 5.2581 8.4434 8.5868 9.2458 9.3894 10.7175 10.7413 10.8331 10.8760 11.0894 11.1220 11.2363 11.3712 11.6079 11.7256 11.7608 11.8510 13.1054 13.1268 13.4729 13.5009 14.0293 14.0467 14.3384 14.3527 k = 0.4737 0.0456 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7205 -8.7179 -8.7158 -8.7047 -7.7293 -7.7248 -7.6768 -7.6672 -7.6651 -7.6594 5.2487 5.2540 8.4288 8.5632 9.2745 9.4091 10.7204 10.7415 10.8232 10.8730 11.0894 11.1221 11.2405 11.3736 11.6141 11.7316 11.7657 11.8550 13.1061 13.1275 13.4743 13.5025 14.0187 14.0355 14.3551 14.3702 k = 0.4671 0.0570 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5734 -20.5707 -20.5704 -8.7205 -8.7180 -8.7155 -8.7048 -7.7293 -7.7248 -7.6767 -7.6673 -7.6650 -7.6594 5.2440 5.2493 8.4118 8.5369 9.3065 9.4320 10.7235 10.7414 10.8122 10.8689 11.0893 11.1220 11.2460 11.3769 11.6210 11.7387 11.7722 11.8603 13.1071 13.1284 13.4759 13.5042 14.0062 14.0223 14.3761 14.3919 k = 0.4605 0.0684 0.6124 ( 4265 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5734 -20.5706 -20.5703 -8.7205 -8.7182 -8.7152 -8.7049 -7.7292 -7.7248 -7.6766 -7.6674 -7.6649 -7.6595 5.2389 5.2441 8.3932 8.5093 9.3401 9.4570 10.7260 10.7411 10.8010 10.8642 11.0890 11.1219 11.2525 11.3809 11.6280 11.7463 11.7806 11.8669 13.1083 13.1294 13.4776 13.5059 13.9923 14.0077 14.4009 14.4173 k = 0.4539 0.0798 0.6124 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5735 -20.5706 -20.5703 -8.7205 -8.7183 -8.7149 -8.7050 -7.7292 -7.7248 -7.6765 -7.6676 -7.6648 -7.6595 5.2335 5.2387 8.3737 8.4816 9.3740 9.4831 10.7265 10.7411 10.7907 10.8594 11.0884 11.1218 11.2597 11.3855 11.6349 11.7538 11.7912 11.8749 13.1097 13.1306 13.4793 13.5073 13.9778 13.9924 14.4287 14.4459 k = 0.4474 0.0912 0.6124 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5735 -20.5705 -20.5702 -8.7206 -8.7185 -8.7146 -8.7052 -7.7291 -7.7248 -7.6764 -7.6677 -7.6646 -7.6596 5.2279 5.2331 8.3540 8.4543 9.4072 9.5094 10.7239 10.7412 10.7827 10.8548 11.0876 11.1215 11.2674 11.3906 11.6411 11.7608 11.8040 11.8841 13.1113 13.1319 13.4808 13.5085 13.9632 13.9771 14.4593 14.4771 k = 0.4408 0.1026 0.6124 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5745 -20.5736 -20.5704 -20.5701 -8.7206 -8.7186 -8.7142 -8.7053 -7.7291 -7.7249 -7.6763 -7.6678 -7.6645 -7.6596 5.2223 5.2275 8.3347 8.4283 9.4389 9.5352 10.7181 10.7397 10.7787 10.8508 11.0865 11.1212 11.2753 11.3960 11.6467 11.7668 11.8189 11.8942 13.1132 13.1333 13.4820 13.5091 13.9492 13.9622 14.4919 14.5104 k = 0.4342 0.1140 0.6124 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5745 -20.5736 -20.5704 -20.5700 -8.7206 -8.7187 -8.7138 -8.7055 -7.7290 -7.7249 -7.6762 -7.6679 -7.6645 -7.6596 5.2169 5.2220 8.3161 8.4039 9.4686 9.5600 10.7102 10.7355 10.7790 10.8475 11.0853 11.1208 11.2831 11.4015 11.6516 11.7720 11.8353 11.9050 13.1153 13.1347 13.4829 13.5091 13.9361 13.9481 14.5262 14.5453 k = 0.4276 0.1253 0.6124 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5746 -20.5737 -20.5703 -20.5700 -8.7206 -8.7189 -8.7135 -8.7057 -7.7290 -7.7249 -7.6761 -7.6681 -7.6644 -7.6597 5.2118 5.2168 8.2988 8.3814 9.4959 9.5832 10.7009 10.7296 10.7824 10.8449 11.0840 11.1203 11.2907 11.4070 11.6557 11.7763 11.8527 11.9159 13.1176 13.1361 13.4833 13.5084 13.9242 13.9352 14.5616 14.5811 k = 0.4211 0.1367 0.6124 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5737 -20.5703 -20.5699 -8.7206 -8.7190 -8.7131 -8.7059 -7.7290 -7.7250 -7.6760 -7.6682 -7.6643 -7.6597 5.2070 5.2120 8.2829 8.3611 9.5204 9.6045 10.6911 10.7230 10.7872 10.8430 11.0827 11.1197 11.2977 11.4122 11.6592 11.7799 11.8703 11.9266 13.1201 13.1374 13.4833 13.5070 13.9137 13.9236 14.5975 14.6172 k = 0.4145 0.1481 0.6124 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5738 -20.5702 -20.5699 -8.7206 -8.7191 -8.7128 -8.7061 -7.7289 -7.7250 -7.6759 -7.6683 -7.6642 -7.6598 5.2027 5.2077 8.2687 8.3432 9.5420 9.6235 10.6816 10.7164 10.7926 10.8415 11.0814 11.1191 11.3042 11.4170 11.6620 11.7829 11.8876 11.9365 13.1227 13.1385 13.4830 13.5051 13.9048 13.9135 14.6330 14.6527 k = 0.4079 0.1595 0.6124 ( 4267 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5738 -20.5702 -20.5698 -8.7206 -8.7192 -8.7124 -8.7063 -7.7289 -7.7250 -7.6758 -7.6684 -7.6642 -7.6598 5.1989 5.2039 8.2564 8.3278 9.5605 9.6400 10.6729 10.7102 10.7980 10.8402 11.0802 11.1186 11.3098 11.4213 11.6644 11.7853 11.9039 11.9452 13.1254 13.1393 13.4824 13.5028 13.8975 13.9049 14.6673 14.6864 k = 0.4013 0.1709 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5738 -20.5702 -20.5698 -8.7206 -8.7193 -8.7121 -8.7065 -7.7289 -7.7250 -7.6757 -7.6685 -7.6641 -7.6598 5.1957 5.2007 8.2461 8.3151 9.5757 9.6538 10.6653 10.7047 10.8030 10.8390 11.0792 11.1181 11.3146 11.4249 11.6662 11.7872 11.9187 11.9522 13.1281 13.1398 13.4817 13.5003 13.8918 13.8978 14.6993 14.7171 k = 0.3947 0.1823 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5702 -20.5697 -8.7206 -8.7193 -8.7119 -8.7067 -7.7288 -7.7251 -7.6756 -7.6686 -7.6641 -7.6598 5.1932 5.1981 8.2381 8.3051 9.5876 9.6646 10.6592 10.7002 10.8075 10.8379 11.0784 11.1176 11.3184 11.4279 11.6676 11.7887 11.9315 11.9572 13.1307 13.1398 13.4810 13.4979 13.8876 13.8922 14.7277 14.7431 k = 0.3882 0.1937 0.6124 ( 4269 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7117 -8.7068 -7.7288 -7.7251 -7.6755 -7.6686 -7.6641 -7.6598 5.1914 5.1963 8.2322 8.2979 9.5962 9.6725 10.6547 10.6968 10.8111 10.8368 11.0778 11.1173 11.3211 11.4300 11.6685 11.7897 11.9420 11.9600 13.1331 13.1394 13.4804 13.4958 13.8848 13.8881 14.7510 14.7625 k = 0.3816 0.2051 0.6124 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7116 -8.7069 -7.7288 -7.7251 -7.6755 -7.6686 -7.6640 -7.6599 5.1903 5.1952 8.2287 8.2936 9.6013 9.6772 10.6519 10.6947 10.8135 10.8360 11.0775 11.1171 11.3228 11.4313 11.6691 11.7903 11.9496 11.9606 13.1353 13.1385 13.4801 13.4945 13.8834 13.8855 14.7673 14.7737 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.3684 0.2127 0.6016 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5738 -20.5702 -20.5697 -8.7208 -8.7193 -8.7112 -8.7070 -7.7287 -7.7249 -7.6756 -7.6689 -7.6640 -7.6598 5.1750 5.1801 8.2763 8.3482 9.5277 9.6126 10.6327 10.6747 10.8234 10.8428 11.0907 11.1308 11.3305 11.4345 11.6702 11.7860 11.9514 11.9573 13.1478 13.1489 13.4599 13.4740 13.9054 13.9076 14.7714 14.7751 k = 0.3618 0.2089 0.5909 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5746 -20.5737 -20.5702 -20.5698 -8.7210 -8.7192 -8.7110 -8.7071 -7.7287 -7.7248 -7.6756 -7.6691 -7.6639 -7.6597 5.1578 5.1629 8.3253 8.4056 9.4563 9.5510 10.6137 10.6548 10.8334 10.8506 11.1038 11.1443 11.3358 11.4337 11.6751 11.7838 11.9510 11.9556 13.1586 13.1614 13.4400 13.4542 13.9302 13.9331 14.7676 14.7731 k = 0.3553 0.2051 0.5801 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5745 -20.5737 -20.5702 -20.5698 -8.7211 -8.7191 -8.7107 -8.7072 -7.7286 -7.7247 -7.6757 -7.6693 -7.6639 -7.6596 5.1380 5.1432 8.3742 8.4638 9.3896 9.4949 10.5941 10.6344 10.8443 10.8591 11.1168 11.1571 11.3394 11.4299 11.6836 11.7838 11.9519 11.9549 13.1699 13.1744 13.4204 13.4347 13.9576 13.9612 14.7632 14.7705 k = 0.3487 0.2013 0.5694 ( 4265 PWs) bands (ev): -44.4815 -44.4814 -21.2228 -21.2219 -20.5745 -20.5736 -20.5702 -20.5698 -8.7212 -8.7190 -8.7104 -8.7074 -7.7284 -7.7246 -7.6757 -7.6695 -7.6639 -7.6596 5.1154 5.1207 8.4220 8.5221 9.3287 9.4453 10.5740 10.6136 10.8561 10.8681 11.1292 11.1691 11.3414 11.4238 11.6949 11.7861 11.9542 11.9555 13.1818 13.1879 13.4011 13.4156 13.9874 13.9916 14.7585 14.7675 k = 0.3421 0.1975 0.5587 ( 4277 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5744 -20.5736 -20.5702 -20.5698 -8.7213 -8.7189 -8.7100 -8.7076 -7.7283 -7.7245 -7.6757 -7.6697 -7.6639 -7.6595 5.0900 5.0953 8.4678 8.5795 9.2747 9.4034 10.5535 10.5924 10.8687 10.8775 11.1411 11.1798 11.3422 11.4161 11.7083 11.7905 11.9575 11.9581 13.1941 13.2019 13.3822 13.3968 14.0196 14.0243 14.7537 14.7644 k = 0.3355 0.1937 0.5479 ( 4277 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5743 -20.5735 -20.5702 -20.5698 -8.7213 -8.7187 -8.7097 -8.7077 -7.7282 -7.7244 -7.6756 -7.6699 -7.6639 -7.6595 5.0616 5.0669 8.5108 8.6347 9.2293 9.3705 10.5327 10.5709 10.8820 10.8873 11.1521 11.1890 11.3420 11.4074 11.7234 11.7969 11.9611 11.9636 13.2070 13.2166 13.3636 13.3786 14.0542 14.0594 14.7489 14.7612 k = 0.3289 0.1899 0.5372 ( 4277 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5743 -20.5735 -20.5701 -20.5698 -8.7213 -8.7186 -8.7094 -8.7080 -7.7280 -7.7243 -7.6756 -7.6701 -7.6640 -7.6594 5.0302 5.0354 8.5498 8.6853 9.1947 9.3476 10.5116 10.5492 10.8961 10.8974 11.1620 11.1963 11.3412 11.3982 11.7396 11.8051 11.9664 11.9710 13.2203 13.2318 13.3455 13.3610 14.0910 14.0966 14.7444 14.7583 k = 0.3224 0.1861 0.5264 ( 4273 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2217 -20.5742 -20.5734 -20.5701 -20.5697 -8.7213 -8.7184 -8.7091 -8.7082 -7.7279 -7.7242 -7.6755 -7.6703 -7.6641 -7.6594 4.9956 5.0008 8.5838 8.7284 9.1739 9.3358 10.4903 10.5274 10.9076 10.9108 11.1706 11.2014 11.3402 11.3891 11.7567 11.8149 11.9736 11.9805 13.2339 13.2477 13.3278 13.3443 14.1301 14.1360 14.7404 14.7559 k = 0.3158 0.1823 0.5157 ( 4269 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2217 -20.5742 -20.5734 -20.5700 -20.5697 -8.7213 -8.7183 -8.7088 -8.7084 -7.7277 -7.7241 -7.6754 -7.6705 -7.6641 -7.6593 4.9578 4.9630 8.6121 8.7607 9.1700 9.3356 10.4688 10.5054 10.9178 10.9261 11.1778 11.2041 11.3393 11.3806 11.7745 11.8262 11.9830 11.9921 13.2474 13.2641 13.3108 13.3289 14.1713 14.1774 14.7373 14.7543 k = 0.3092 0.1785 0.5049 ( 4269 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5741 -20.5734 -20.5699 -20.5696 -8.7212 -8.7182 -8.7086 -8.7085 -7.7275 -7.7240 -7.6753 -7.6706 -7.6642 -7.6593 4.9169 4.9220 8.6348 8.7803 9.1849 9.3470 10.4473 10.4834 10.9279 10.9418 11.1833 11.2044 11.3387 11.3729 11.7927 11.8388 11.9946 12.0060 13.2592 13.2804 13.2950 13.3164 14.2146 14.2208 14.7351 14.7535 k = 0.3026 0.1747 0.4942 ( 4273 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2216 -20.5741 -20.5734 -20.5698 -20.5696 -8.7211 -8.7180 -8.7089 -8.7082 -7.7273 -7.7239 -7.6752 -7.6707 -7.6644 -7.6592 4.8730 4.8779 8.6523 8.7884 9.2170 9.3691 10.4257 10.4614 10.9378 10.9578 11.1870 11.2027 11.3382 11.3666 11.8114 11.8526 12.0087 12.0223 13.2653 13.2770 13.3003 13.3109 14.2599 14.2660 14.7344 14.7540 k = 0.2961 0.1709 0.4835 ( 4273 PWs) bands (ev): -44.4816 -44.4815 -21.2224 -21.2215 -20.5740 -20.5733 -20.5697 -20.5695 -8.7210 -8.7179 -8.7091 -8.7079 -7.7270 -7.7238 -7.6750 -7.6709 -7.6645 -7.6592 4.8261 4.8308 8.6658 8.7889 9.2620 9.4005 10.4040 10.4394 10.9470 10.9739 11.1888 11.1994 11.3380 11.3619 11.8304 11.8674 12.0253 12.0411 13.2613 13.2620 13.3168 13.3184 14.3070 14.3129 14.7352 14.7560 k = 0.2895 0.1671 0.4727 ( 4277 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2215 -20.5739 -20.5733 -20.5696 -20.5694 -8.7208 -8.7177 -8.7094 -8.7077 -7.7268 -7.7238 -7.6749 -7.6710 -7.6646 -7.6592 4.7764 4.7810 8.6767 8.7859 9.3155 9.4394 10.3824 10.4174 10.9555 10.9897 11.1888 11.1950 11.3379 11.3594 11.8498 11.8831 12.0446 12.0624 13.2474 13.2509 13.3305 13.3375 14.3560 14.3614 14.7380 14.7596 k = 0.2829 0.1633 0.4620 ( 4275 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2214 -20.5739 -20.5733 -20.5695 -20.5693 -8.7207 -8.7175 -8.7097 -8.7074 -7.7266 -7.7237 -7.6747 -7.6711 -7.6648 -7.6592 4.7240 4.7284 8.6863 8.7822 9.3740 9.4839 10.3609 10.3956 10.9629 11.0047 11.1870 11.1904 11.3379 11.3593 11.8695 11.8997 12.0664 12.0862 13.2335 13.2387 13.3473 13.3571 14.4066 14.4113 14.7432 14.7653 k = 0.2763 0.1595 0.4512 ( 4271 PWs) bands (ev): -44.4816 -44.4816 -21.2222 -21.2214 -20.5738 -20.5732 -20.5693 -20.5692 -8.7204 -8.7174 -8.7099 -8.7071 -7.7263 -7.7236 -7.6745 -7.6712 -7.6650 -7.6592 4.6692 4.6734 8.6958 8.7799 9.4349 9.5322 10.3395 10.3739 10.9690 11.0180 11.1837 11.1865 11.3384 11.3621 11.8897 11.9171 12.0910 12.1124 13.2203 13.2263 13.3658 13.3774 14.4589 14.4623 14.7510 14.7733 k = 0.2697 0.1557 0.4405 ( 4277 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2213 -20.5737 -20.5732 -20.5692 -20.5691 -8.7202 -8.7172 -8.7102 -8.7069 -7.7260 -7.7235 -7.6743 -7.6713 -7.6652 -7.6592 4.6122 4.6161 8.7062 8.7799 9.4966 9.5827 10.3183 10.3524 10.9734 11.0288 11.1791 11.1840 11.3399 11.3682 11.9103 11.9352 12.1181 12.1409 13.2079 13.2141 13.3852 13.3981 14.5127 14.5142 14.7622 14.7838 k = 0.2632 0.1519 0.4297 ( 4267 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2212 -20.5736 -20.5731 -20.5691 -20.5690 -8.7199 -8.7170 -8.7104 -8.7066 -7.7257 -7.7234 -7.6741 -7.6713 -7.6654 -7.6592 4.5531 4.5568 8.7182 8.7828 9.5577 9.6341 10.2972 10.3311 10.9759 11.0358 11.1732 11.1835 11.3433 11.3781 11.9315 11.9540 12.1477 12.1718 13.1964 13.2025 13.4054 13.4191 14.5664 14.5678 14.7771 14.7972 k = 0.2566 0.1481 0.4190 ( 4263 PWs) bands (ev): -44.4817 -44.4816 -21.2219 -21.2212 -20.5735 -20.5730 -20.5690 -20.5689 -8.7196 -8.7169 -8.7107 -8.7064 -7.7255 -7.7233 -7.6739 -7.6714 -7.6656 -7.6592 4.4923 4.4958 8.7320 8.7890 9.6171 9.6852 10.2764 10.3101 10.9764 11.0385 11.1662 11.1847 11.3503 11.3921 11.9531 11.9736 12.1797 12.2048 13.1858 13.1917 13.4260 13.4405 14.6185 14.6241 14.7968 14.8139 k = 0.2500 0.1443 0.4082 ( 4259 PWs) bands (ev): -44.4817 -44.4816 -21.2218 -21.2211 -20.5734 -20.5729 -20.5688 -20.5688 -8.7193 -8.7167 -8.7109 -8.7062 -7.7252 -7.7232 -7.6736 -7.6714 -7.6658 -7.6592 4.4301 4.4333 8.7482 8.7984 9.6740 9.7348 10.2559 10.2894 10.9748 11.0370 11.1582 11.1861 11.3624 11.4107 11.9754 11.9939 12.2140 12.2399 13.1762 13.1816 13.4470 13.4619 14.6695 14.6814 14.8222 14.8342 k = 0.2434 0.1405 0.3975 ( 4283 PWs) bands (ev): -44.4817 -44.4817 -21.2217 -21.2210 -20.5732 -20.5728 -20.5687 -20.5687 -8.7190 -8.7165 -8.7112 -8.7060 -7.7249 -7.7231 -7.6734 -7.6715 -7.6660 -7.6593 4.3666 4.3695 8.7666 8.8111 9.7275 9.7820 10.2356 10.2690 10.9713 11.0320 11.1492 11.1861 11.3812 11.4342 11.9983 12.0150 12.2503 12.2770 13.1676 13.1724 13.4683 13.4835 14.7185 14.7393 14.8545 14.8587 k = 0.2368 0.1367 0.3868 ( 4285 PWs) bands (ev): -44.4817 -44.4817 -21.2215 -21.2209 -20.5731 -20.5727 -20.5686 -20.5686 -8.7186 -8.7164 -8.7114 -8.7059 -7.7246 -7.7230 -7.6732 -7.6715 -7.6662 -7.6593 4.3021 4.3048 8.7875 8.8270 9.7771 9.8260 10.2157 10.2491 10.9661 11.0244 11.1391 11.1834 11.4075 11.4629 12.0219 12.0369 12.2884 12.3157 13.1600 13.1641 13.4896 13.5050 14.7648 14.7970 14.8884 14.8945 k = 0.2303 0.1329 0.3760 ( 4285 PWs) bands (ev): -44.4818 -44.4817 -21.2214 -21.2208 -20.5729 -20.5726 -20.5685 -20.5685 -8.7183 -8.7162 -8.7116 -8.7057 -7.7242 -7.7229 -7.6729 -7.6715 -7.6665 -7.6594 4.2369 4.2394 8.8107 8.8458 9.8221 9.8662 10.1963 10.2297 10.9594 11.0151 11.1281 11.1776 11.4412 11.4966 12.0462 12.0596 12.3282 12.3561 13.1536 13.1569 13.5110 13.5263 14.8089 14.8532 14.9246 14.9419 k = 0.2237 0.1291 0.3653 ( 4277 PWs) bands (ev): -44.4818 -44.4818 -21.2213 -21.2207 -20.5728 -20.5725 -20.5684 -20.5684 -8.7179 -8.7160 -8.7118 -8.7055 -7.7239 -7.7227 -7.6727 -7.6716 -7.6667 -7.6595 4.1713 4.1736 8.8362 8.8673 9.8621 9.9019 10.1773 10.2109 10.9515 11.0047 11.1162 11.1691 11.4817 11.5355 12.0713 12.0832 12.3695 12.3979 13.1484 13.1507 13.5322 13.5473 14.8522 14.9058 14.9697 14.9955 k = 0.2171 0.1253 0.3545 ( 4285 PWs) bands (ev): -44.4818 -44.4818 -21.2212 -21.2206 -20.5726 -20.5723 -20.5683 -20.5682 -8.7175 -8.7159 -8.7119 -8.7054 -7.7236 -7.7226 -7.6724 -7.6716 -7.6669 -7.6595 4.1055 4.1076 8.8638 8.8915 9.8968 9.9327 10.1589 10.1928 10.9428 10.9937 11.1034 11.1582 11.5281 11.5793 12.0971 12.1078 12.4119 12.4409 13.1446 13.1458 13.5532 13.5680 14.8962 14.9547 15.0239 15.0538 k = 0.2105 0.1215 0.3438 ( 4277 PWs) bands (ev): -44.4819 -44.4818 -21.2210 -21.2205 -20.5724 -20.5721 -20.5682 -20.5681 -8.7171 -8.7157 -8.7121 -8.7053 -7.7233 -7.7224 -7.6722 -7.6716 -7.6672 -7.6597 4.0397 4.0416 8.8934 8.9179 9.9259 9.9581 10.1413 10.1757 10.9335 10.9823 11.0898 11.1456 11.5797 11.6277 12.1237 12.1333 12.4553 12.4848 13.1421 13.1422 13.5739 13.5884 14.9424 15.0022 15.0849 15.1154 k = 0.2039 0.1177 0.3330 ( 4271 PWs) bands (ev): -44.4819 -44.4818 -21.2209 -21.2204 -20.5722 -20.5720 -20.5681 -20.5680 -8.7166 -8.7155 -8.7122 -8.7052 -7.7230 -7.7223 -7.6719 -7.6716 -7.6674 -7.6598 3.9741 3.9758 8.9247 8.9465 9.9493 9.9779 10.1245 10.1596 10.9238 10.9708 11.0756 11.1316 11.6359 11.6803 12.1512 12.1597 12.4992 12.5294 13.1400 13.1414 13.5944 13.6083 14.9916 15.0510 15.1501 15.1798 k = 0.1974 0.1140 0.3223 ( 4275 PWs) bands (ev): -44.4819 -44.4819 -21.2207 -21.2203 -20.5720 -20.5718 -20.5680 -20.5679 -8.7162 -8.7154 -8.7124 -8.7051 -7.7227 -7.7221 -7.6717 -7.6716 -7.6676 -7.6599 3.9090 3.9105 8.9576 8.9769 9.9669 9.9920 10.1089 10.1449 10.9139 10.9593 11.0609 11.1165 11.6959 11.7368 12.1794 12.1871 12.5434 12.5743 13.1396 13.1426 13.6145 13.6278 15.0441 15.1023 15.2184 15.2465 k = 0.1908 0.1102 0.3116 ( 4275 PWs) bands (ev): -44.4819 -44.4819 -21.2206 -21.2202 -20.5718 -20.5716 -20.5679 -20.5678 -8.7158 -8.7152 -8.7124 -8.7051 -7.7224 -7.7219 -7.6716 -7.6714 -7.6678 -7.6600 3.8446 3.8459 8.9920 9.0089 9.9785 10.0003 10.0947 10.1318 10.9040 10.9480 11.0457 11.1006 11.7590 11.7966 12.2084 12.2156 12.5874 12.6191 13.1412 13.1458 13.6343 13.6469 15.1002 15.1567 15.2892 15.3152 k = 0.1842 0.1064 0.3008 ( 4267 PWs) bands (ev): -44.4820 -44.4819 -21.2204 -21.2201 -20.5716 -20.5714 -20.5678 -20.5677 -8.7154 -8.7151 -8.7125 -8.7050 -7.7220 -7.7217 -7.6716 -7.6712 -7.6681 -7.6602 3.7810 3.7822 9.0274 9.0423 9.9843 10.0030 10.0822 10.1202 10.8942 10.9368 11.0302 11.0841 11.8246 11.8590 12.2383 12.2450 12.6307 12.6633 13.1452 13.1516 13.6538 13.6656 15.1601 15.2143 15.3624 15.3859 k = 0.1776 0.1026 0.2901 ( 4279 PWs) bands (ev): -44.4820 -44.4820 -21.2203 -21.2199 -20.5714 -20.5712 -20.5677 -20.5676 -8.7149 -8.7149 -8.7126 -8.7050 -7.7217 -7.7215 -7.6716 -7.6709 -7.6683 -7.6604 3.7183 3.7194 9.0639 9.0769 9.9845 10.0007 10.0716 10.1100 10.8845 10.9260 11.0145 11.0672 11.8920 11.9235 12.2688 12.2754 12.6727 12.7062 13.1522 13.1604 13.6730 13.6840 15.2238 15.2750 15.4380 15.4585 k = 0.1711 0.0988 0.2793 ( 4283 PWs) bands (ev): -44.4820 -44.4820 -21.2201 -21.2198 -20.5712 -20.5710 -20.5677 -20.5675 -8.7147 -8.7145 -8.7126 -8.7050 -7.7214 -7.7213 -7.6716 -7.6707 -7.6685 -7.6606 3.6569 3.6578 9.1011 9.1123 9.9800 9.9945 10.0624 10.1006 10.8750 10.9154 10.9987 11.0500 11.9604 11.9895 12.3002 12.3067 12.7127 12.7470 13.1627 13.1726 13.6921 13.7022 15.2910 15.3388 15.5161 15.5331 k = 0.1645 0.0950 0.2686 ( 4293 PWs) bands (ev): -44.4821 -44.4820 -21.2200 -21.2197 -20.5709 -20.5708 -20.5676 -20.5675 -8.7146 -8.7141 -8.7126 -8.7050 -7.7211 -7.7211 -7.6716 -7.6704 -7.6686 -7.6608 3.5968 3.5976 9.1389 9.1485 9.9718 9.9853 10.0539 10.0912 10.8658 10.9051 10.9829 11.0327 12.0291 12.0562 12.3321 12.3391 12.7501 12.7849 13.1775 13.1890 13.7110 13.7203 15.3618 15.4055 15.5968 15.6098 k = 0.1579 0.0912 0.2578 ( 4289 PWs) bands (ev): -44.4821 -44.4821 -21.2198 -21.2196 -20.5707 -20.5705 -20.5675 -20.5674 -8.7144 -8.7137 -8.7126 -8.7051 -7.7209 -7.7209 -7.6716 -7.6702 -7.6688 -7.6610 3.5381 3.5388 9.1769 9.1851 9.9613 9.9741 10.0453 10.0813 10.8570 10.8952 10.9672 11.0155 12.0976 12.1232 12.3647 12.3723 12.7841 12.8190 13.1974 13.2099 13.7298 13.7382 15.4360 15.4750 15.6802 15.6887 k = 0.1513 0.0874 0.2471 ( 4289 PWs) bands (ev): -44.4821 -44.4821 -21.2197 -21.2195 -20.5704 -20.5703 -20.5674 -20.5673 -8.7143 -8.7133 -8.7125 -8.7051 -7.7206 -7.7206 -7.6715 -7.6700 -7.6690 -7.6612 3.4810 3.4816 9.2152 9.2219 9.9495 9.9618 10.0361 10.0707 10.8484 10.8856 10.9516 10.9983 12.1651 12.1899 12.3979 12.4065 12.8142 12.8487 13.2227 13.2358 13.7486 13.7563 15.5133 15.5470 15.7664 15.7699 k = 0.1447 0.0836 0.2364 ( 4281 PWs) bands (ev): -44.4822 -44.4821 -21.2196 -21.2193 -20.5702 -20.5701 -20.5674 -20.5672 -8.7141 -8.7129 -8.7124 -8.7052 -7.7204 -7.7203 -7.6715 -7.6698 -7.6691 -7.6615 3.4256 3.4261 9.2533 9.2588 9.9369 9.9487 10.0259 10.0591 10.8402 10.8763 10.9363 10.9813 12.2311 12.2555 12.4315 12.4415 12.8402 12.8736 13.2538 13.2667 13.7675 13.7744 15.5937 15.6216 15.8534 15.8554 k = 0.1382 0.0798 0.2256 ( 4287 PWs) bands (ev): -44.4822 -44.4822 -21.2194 -21.2192 -20.5700 -20.5698 -20.5673 -20.5672 -8.7140 -8.7125 -8.7124 -8.7052 -7.7202 -7.7200 -7.6715 -7.6696 -7.6692 -7.6617 3.3720 3.3725 9.2911 9.2956 9.9241 9.9354 10.0148 10.0466 10.8323 10.8673 10.9214 10.9645 12.2949 12.3197 12.4655 12.4773 12.8622 12.8938 13.2901 13.3024 13.7864 13.7926 15.6768 15.6985 15.9394 15.9472 k = 0.1316 0.0760 0.2149 ( 4289 PWs) bands (ev): -44.4822 -44.4822 -21.2193 -21.2191 -20.5697 -20.5696 -20.5672 -20.5671 -8.7138 -8.7122 -8.7122 -8.7053 -7.7199 -7.7198 -7.6715 -7.6694 -7.6693 -7.6620 3.3204 3.3208 9.3285 9.3319 9.9112 9.9220 10.0029 10.0333 10.8248 10.8586 10.9068 10.9481 12.3561 12.3820 12.4998 12.5139 12.8803 12.9099 13.3311 13.3424 13.8055 13.8110 15.7625 15.7778 16.0279 16.0415 k = 0.1250 0.0722 0.2041 ( 4295 PWs) bands (ev): -44.4823 -44.4822 -21.2191 -21.2190 -20.5695 -20.5694 -20.5672 -20.5671 -8.7137 -8.7121 -8.7118 -8.7054 -7.7197 -7.7195 -7.6714 -7.6694 -7.6692 -7.6623 3.2707 3.2711 9.3651 9.3676 9.8986 9.9088 9.9903 10.0194 10.8176 10.8503 10.8927 10.9322 12.4142 12.4419 12.5342 12.5512 12.8953 12.9226 13.3759 13.3860 13.8247 13.8296 15.8507 15.8595 16.1187 16.1384 k = 0.1184 0.0684 0.1934 ( 4287 PWs) bands (ev): -44.4823 -44.4823 -21.2190 -21.2189 -20.5692 -20.5691 -20.5671 -20.5670 -8.7135 -8.7120 -8.7115 -8.7056 -7.7194 -7.7193 -7.6714 -7.6695 -7.6691 -7.6626 3.2232 3.2234 9.4008 9.4026 9.8863 9.8958 9.9772 10.0050 10.8108 10.8423 10.8791 10.9167 12.4689 12.4991 12.5686 12.5889 12.9075 12.9325 13.4236 13.4324 13.8441 13.8484 15.9412 15.9435 16.2119 16.2374 k = 0.1118 0.0646 0.1826 ( 4283 PWs) bands (ev): -44.4823 -44.4823 -21.2189 -21.2187 -20.5690 -20.5689 -20.5671 -20.5670 -8.7133 -8.7118 -8.7112 -8.7057 -7.7192 -7.7191 -7.6713 -7.6695 -7.6689 -7.6629 3.1778 3.1780 9.4355 9.4365 9.8744 9.8833 9.9638 9.9904 10.8043 10.8346 10.8660 10.9017 12.5201 12.5533 12.6028 12.6267 12.9175 12.9403 13.4732 13.4809 13.8634 13.8673 16.0299 16.0338 16.3072 16.3383 k = 0.1053 0.0608 0.1719 ( 4289 PWs) bands (ev): -44.4823 -44.4823 -21.2187 -21.2186 -20.5688 -20.5687 -20.5670 -20.5669 -8.7132 -8.7117 -8.7109 -8.7058 -7.7190 -7.7188 -7.6713 -7.6695 -7.6688 -7.6632 3.1347 3.1348 9.4688 9.4692 9.8631 9.8713 9.9504 9.9758 10.7982 10.8272 10.8536 10.8873 12.5679 12.6043 12.6367 12.6643 12.9259 12.9465 13.5240 13.5307 13.8828 13.8863 16.1185 16.1283 16.4044 16.4406 k = 0.0987 0.0570 0.1612 ( 4293 PWs) bands (ev): -44.4824 -44.4824 -21.2186 -21.2185 -20.5685 -20.5685 -20.5670 -20.5669 -8.7130 -8.7115 -8.7107 -8.7060 -7.7188 -7.7186 -7.6712 -7.6695 -7.6687 -7.6635 3.0938 3.0940 9.5004 9.5005 9.8525 9.8601 9.9371 9.9612 10.7925 10.8201 10.8418 10.8736 12.6124 12.6518 12.6701 12.7011 12.9328 12.9515 13.5755 13.5812 13.9021 13.9052 16.2094 16.2246 16.5033 16.5439 k = 0.0921 0.0532 0.1504 ( 4289 PWs) bands (ev): -44.4824 -44.4824 -21.2185 -21.2184 -20.5683 -20.5683 -20.5669 -20.5669 -8.7128 -8.7114 -8.7104 -8.7062 -7.7186 -7.7184 -7.6711 -7.6695 -7.6686 -7.6639 3.0554 3.0555 9.5300 9.5304 9.8426 9.8496 9.9242 9.9470 10.7871 10.8133 10.8307 10.8605 12.6539 12.6957 12.7028 12.7364 12.9388 12.9554 13.6270 13.6318 13.9211 13.9239 16.3024 16.3223 16.6033 16.6476 k = 0.0855 0.0494 0.1397 ( 4289 PWs) bands (ev): -44.4824 -44.4824 -21.2184 -21.2183 -20.5681 -20.5681 -20.5669 -20.5668 -8.7126 -8.7112 -8.7102 -8.7064 -7.7184 -7.7182 -7.6711 -7.6695 -7.6685 -7.6642 3.0194 3.0195 9.5576 9.5583 9.8337 9.8401 9.9116 9.9332 10.7822 10.8069 10.8204 10.8481 12.6928 12.7337 12.7371 12.7699 12.9438 12.9587 13.6779 13.6820 13.9397 13.9422 16.3974 16.4212 16.7040 16.7511 k = 0.0789 0.0456 0.1289 ( 4283 PWs) bands (ev): -44.4824 -44.4824 -21.2183 -21.2182 -20.5679 -20.5679 -20.5669 -20.5668 -8.7124 -8.7110 -8.7100 -8.7066 -7.7182 -7.7181 -7.6710 -7.6695 -7.6684 -7.6646 2.9858 2.9859 9.5831 9.5839 9.8259 9.8318 9.8997 9.9199 10.7776 10.8008 10.8108 10.8364 12.7293 12.7646 12.7738 12.8011 12.9483 12.9614 13.7278 13.7313 13.9578 13.9601 16.4940 16.5209 16.8048 16.8536 k = 0.0724 0.0418 0.1182 ( 4287 PWs) bands (ev): -44.4825 -44.4825 -21.2182 -21.2181 -20.5677 -20.5677 -20.5668 -20.5668 -8.7122 -8.7109 -8.7098 -8.7068 -7.7180 -7.7179 -7.6708 -7.6694 -7.6683 -7.6649 2.9548 2.9549 9.6060 9.6069 9.8195 9.8250 9.8886 9.9073 10.7735 10.7951 10.8019 10.8255 12.7634 12.7937 12.8073 12.8296 12.9522 12.9636 13.7762 13.7792 13.9752 13.9772 16.5920 16.6208 16.9051 16.9542 k = 0.0658 0.0380 0.1074 ( 4287 PWs) bands (ev): -44.4825 -44.4825 -21.2181 -21.2181 -20.5676 -20.5675 -20.5668 -20.5667 -8.7119 -8.7107 -8.7097 -8.7070 -7.7178 -7.7178 -7.6707 -7.6694 -7.6683 -7.6653 2.9264 2.9264 9.6262 9.6270 9.8146 9.8197 9.8782 9.8955 10.7698 10.7897 10.7939 10.8154 12.7953 12.8211 12.8375 12.8553 12.9557 12.9654 13.8226 13.8252 13.9917 13.9935 16.6908 16.7205 17.0039 17.0519 k = 0.0592 0.0342 0.0967 ( 4289 PWs) bands (ev): -44.4825 -44.4825 -21.2180 -21.2180 -20.5674 -20.5674 -20.5668 -20.5667 -8.7117 -8.7105 -8.7096 -8.7072 -7.7177 -7.7176 -7.6706 -7.6693 -7.6683 -7.6656 2.9005 2.9006 9.6432 9.6439 9.8115 9.8163 9.8688 9.8846 10.7665 10.7847 10.7867 10.8061 12.8249 12.8466 12.8644 12.8782 12.9589 12.9670 13.8666 13.8687 14.0072 14.0088 16.7898 16.8191 17.1004 17.1456 k = 0.0526 0.0304 0.0859 ( 4293 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5672 -20.5672 -20.5668 -20.5667 -8.7115 -8.7104 -8.7095 -8.7074 -7.7175 -7.7175 -7.6704 -7.6692 -7.6682 -7.6660 2.8773 2.8773 9.6569 9.6574 9.8105 9.8149 9.8604 9.8746 10.7637 10.7801 10.7803 10.7976 12.8520 12.8699 12.8881 12.8981 12.9620 12.9684 13.9076 13.9094 14.0214 14.0229 16.8881 16.9159 17.1931 17.2338 k = 0.0461 0.0266 0.0752 ( 4289 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5671 -20.5671 -20.5667 -20.5667 -8.7112 -8.7102 -8.7094 -8.7077 -7.7174 -7.7174 -7.6702 -7.6692 -7.6682 -7.6663 2.8568 2.8568 9.6672 9.6676 9.8113 9.8154 9.8530 9.8655 10.7613 10.7748 10.7759 10.7899 12.8765 12.8908 12.9088 12.9151 12.9650 12.9697 13.9453 13.9468 14.0344 14.0356 16.9848 17.0096 17.2806 17.3149 k = 0.0395 0.0228 0.0645 ( 4281 PWs) bands (ev): -44.4825 -44.4825 -21.2178 -21.2178 -20.5670 -20.5670 -20.5667 -20.5667 -8.7110 -8.7101 -8.7093 -8.7079 -7.7173 -7.7173 -7.6700 -7.6691 -7.6683 -7.6666 2.8389 2.8389 9.6745 9.6748 9.8138 9.8175 9.8467 9.8575 10.7594 10.7700 10.7720 10.7830 12.8983 12.9092 12.9262 12.9290 12.9681 12.9710 13.9790 13.9803 14.0458 14.0469 17.0784 17.0993 17.3605 17.3871 k = 0.0329 0.0190 0.0537 ( 4281 PWs) bands (ev): -44.4826 -44.4826 -21.2178 -21.2178 -20.5669 -20.5669 -20.5667 -20.5667 -8.7107 -8.7100 -8.7093 -8.7082 -7.7172 -7.7172 -7.6698 -7.6690 -7.6683 -7.6670 2.8238 2.8238 9.6793 9.6794 9.8175 9.8206 9.8415 9.8505 10.7580 10.7662 10.7686 10.7770 12.9170 12.9248 12.9400 12.9403 12.9715 12.9726 14.0085 14.0095 14.0557 14.0566 17.1673 17.1834 17.4296 17.4476 k = 0.0263 0.0152 0.0430 ( 4281 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5668 -20.5668 -20.5667 -20.5667 -8.7105 -8.7098 -8.7093 -8.7084 -7.7171 -7.7171 -7.6696 -7.6689 -7.6683 -7.6673 2.8114 2.8114 9.6821 9.6822 9.8215 9.8242 9.8373 9.8446 10.7571 10.7632 10.7657 10.7718 12.9327 12.9377 12.9481 12.9507 12.9750 12.9752 14.0333 14.0341 14.0640 14.0647 17.2496 17.2606 17.4828 17.4925 k = 0.0197 0.0114 0.0322 ( 4281 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5668 -20.5667 -20.5667 -20.5667 -8.7102 -8.7097 -8.7093 -8.7087 -7.7171 -7.7171 -7.6694 -7.6688 -7.6684 -7.6676 2.8017 2.8017 9.6837 9.6837 9.8255 9.8275 9.8343 9.8398 10.7568 10.7610 10.7632 10.7675 12.9449 12.9478 12.9537 12.9570 12.9784 12.9790 14.0530 14.0536 14.0705 14.0710 17.3232 17.3294 17.5130 17.5169 k = 0.0132 0.0076 0.0215 ( 4281 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7100 -8.7096 -8.7093 -8.7089 -7.7170 -7.7170 -7.6691 -7.6687 -7.6684 -7.6680 2.7948 2.7948 9.6845 9.6845 9.8287 9.8301 9.8324 9.8361 10.7569 10.7596 10.7613 10.7639 12.9537 12.9551 12.9573 12.9600 12.9820 12.9823 14.0673 14.0677 14.0752 14.0755 17.3858 17.3884 17.5180 17.5192 k = 0.0066 0.0038 0.0107 ( 4279 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7097 -8.7095 -8.7094 -8.7092 -7.7170 -7.7170 -7.6688 -7.6686 -7.6685 -7.6683 2.7906 2.7906 9.6848 9.6848 9.8309 9.8317 9.8317 9.8335 10.7577 10.7590 10.7599 10.7611 12.9589 12.9594 12.9596 12.9610 12.9846 12.9847 14.0761 14.0763 14.0780 14.0782 17.4354 17.4360 17.5052 17.5055 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -44.4826 -44.4826 -21.2176 -21.2176 -20.5667 -20.5667 -20.5667 -20.5667 -8.7094 -8.7094 -8.7094 -8.7094 -7.7170 -7.7170 -7.6686 -7.6686 -7.6686 -7.6686 2.7892 2.7892 9.6849 9.6849 9.8320 9.8320 9.8320 9.8320 10.7591 10.7591 10.7591 10.7591 12.9608 12.9608 12.9608 12.9608 12.9855 12.9855 14.0791 14.0791 14.0791 14.0791 17.4635 17.4635 17.4889 17.4889 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -44.4826 -44.4826 -21.2176 -21.2176 -20.5667 -20.5667 -20.5667 -20.5667 -8.7094 -8.7094 -8.7094 -8.7094 -7.7170 -7.7170 -7.6686 -7.6686 -7.6686 -7.6686 2.7892 2.7892 9.6849 9.6849 9.8320 9.8320 9.8320 9.8320 10.7591 10.7591 10.7591 10.7591 12.9608 12.9608 12.9608 12.9608 12.9855 12.9855 14.0791 14.0791 14.0791 14.0791 17.4635 17.4635 17.4889 17.4889 k = 0.0109 0.0063 0.0044 ( 4279 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7097 -8.7094 -8.7094 -8.7092 -7.7170 -7.7170 -7.6689 -7.6686 -7.6686 -7.6683 2.7907 2.7907 9.6848 9.6848 9.8314 9.8314 9.8315 9.8336 10.7576 10.7594 10.7594 10.7612 12.9591 12.9591 12.9596 12.9612 12.9846 12.9846 14.0770 14.0771 14.0771 14.0773 17.4347 17.4347 17.5061 17.5061 k = 0.0217 0.0126 0.0089 ( 4282 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5667 -20.5667 -20.5667 -20.5667 -8.7100 -8.7095 -8.7095 -8.7089 -7.7170 -7.7170 -7.6691 -7.6686 -7.6686 -7.6679 2.7949 2.7949 9.6845 9.6845 9.8296 9.8296 9.8320 9.8362 10.7569 10.7605 10.7605 10.7641 12.9537 12.9537 12.9576 12.9607 12.9821 12.9821 14.0710 14.0712 14.0712 14.0716 17.3818 17.3818 17.5243 17.5243 k = 0.0326 0.0188 0.0133 ( 4282 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5668 -20.5668 -20.5667 -20.5667 -8.7102 -8.7095 -8.7095 -8.7086 -7.7171 -7.7171 -7.6694 -7.6686 -7.6686 -7.6676 2.8020 2.8020 9.6838 9.6838 9.8268 9.8268 9.8335 9.8398 10.7568 10.7622 10.7622 10.7676 12.9443 12.9443 12.9547 12.9595 12.9784 12.9784 14.0612 14.0616 14.0616 14.0622 17.3112 17.3112 17.5373 17.5373 k = 0.0435 0.0251 0.0177 ( 4282 PWs) bands (ev): -44.4826 -44.4826 -21.2177 -21.2177 -20.5668 -20.5668 -20.5667 -20.5667 -8.7105 -8.7096 -8.7096 -8.7083 -7.7171 -7.7171 -7.6696 -7.6686 -7.6686 -7.6673 2.8119 2.8119 9.6823 9.6823 9.8233 9.8233 9.8361 9.8445 10.7575 10.7646 10.7646 10.7718 12.9306 12.9306 12.9510 12.9574 12.9737 12.9737 14.0478 14.0482 14.0482 14.0491 17.2237 17.2237 17.5463 17.5463 k = 0.0543 0.0314 0.0222 ( 4282 PWs) bands (ev): -44.4826 -44.4826 -21.2178 -21.2178 -20.5669 -20.5669 -20.5667 -20.5667 -8.7108 -8.7097 -8.7097 -8.7081 -7.7172 -7.7172 -7.6699 -7.6687 -7.6687 -7.6669 2.8246 2.8246 9.6796 9.6796 9.8197 9.8197 9.8397 9.8501 10.7588 10.7677 10.7677 10.7768 12.9128 12.9128 12.9463 12.9543 12.9681 12.9681 14.0310 14.0315 14.0315 14.0326 17.1216 17.1216 17.5524 17.5524 k = 0.0652 0.0377 0.0266 ( 4282 PWs) bands (ev): -44.4825 -44.4825 -21.2178 -21.2178 -20.5670 -20.5670 -20.5667 -20.5667 -8.7110 -8.7097 -8.7097 -8.7078 -7.7173 -7.7173 -7.6701 -7.6687 -7.6687 -7.6665 2.8401 2.8401 9.6751 9.6751 9.8163 9.8163 9.8442 9.8568 10.7608 10.7715 10.7715 10.7824 12.8908 12.8908 12.9407 12.9504 12.9615 12.9615 14.0110 14.0116 14.0116 14.0130 17.0076 17.0076 17.5564 17.5564 k = 0.0761 0.0439 0.0311 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5671 -20.5671 -20.5667 -20.5667 -8.7113 -8.7099 -8.7099 -8.7076 -7.7174 -7.7174 -7.6703 -7.6687 -7.6687 -7.6662 2.8584 2.8584 9.6681 9.6681 9.8140 9.8140 9.8498 9.8644 10.7636 10.7760 10.7760 10.7887 12.8651 12.8651 12.9340 12.9454 12.9538 12.9538 13.9881 13.9889 13.9889 13.9904 16.8844 16.8844 17.5587 17.5587 k = 0.0870 0.0502 0.0355 ( 4288 PWs) bands (ev): -44.4825 -44.4825 -21.2179 -21.2179 -20.5673 -20.5673 -20.5667 -20.5667 -8.7115 -8.7100 -8.7100 -8.7073 -7.7175 -7.7175 -7.6704 -7.6688 -7.6688 -7.6658 2.8794 2.8794 9.6581 9.6581 9.8133 9.8133 9.8563 9.8730 10.7670 10.7811 10.7811 10.7958 12.8356 12.8356 12.9262 12.9393 12.9448 12.9448 13.9626 13.9637 13.9637 13.9654 16.7546 16.7546 17.5598 17.5598 k = 0.0978 0.0565 0.0399 ( 4291 PWs) bands (ev): -44.4825 -44.4825 -21.2180 -21.2180 -20.5674 -20.5674 -20.5668 -20.5667 -8.7117 -8.7101 -8.7101 -8.7071 -7.7177 -7.7177 -7.6706 -7.6689 -7.6689 -7.6655 2.9031 2.9031 9.6446 9.6446 9.8145 9.8145 9.8637 9.8825 10.7712 10.7870 10.7870 10.8035 12.8028 12.8028 12.9171 12.9321 12.9345 12.9345 13.9349 13.9364 13.9364 13.9381 16.6200 16.6200 17.5596 17.5596 k = 0.1087 0.0628 0.0444 ( 4291 PWs) bands (ev): -44.4825 -44.4825 -21.2181 -21.2181 -20.5676 -20.5676 -20.5668 -20.5667 -8.7119 -8.7103 -8.7103 -8.7069 -7.7178 -7.7178 -7.6707 -7.6689 -7.6689 -7.6651 2.9295 2.9295 9.6274 9.6274 9.8179 9.8179 9.8721 9.8929 10.7761 10.7936 10.7936 10.8120 12.7668 12.7668 12.9067 12.9226 12.9226 12.9235 13.9053 13.9074 13.9074 13.9091 16.4824 16.4824 17.5582 17.5582 k = 0.1196 0.0690 0.0488 ( 4282 PWs) bands (ev): -44.4825 -44.4825 -21.2182 -21.2182 -20.5678 -20.5678 -20.5668 -20.5667 -8.7121 -8.7104 -8.7104 -8.7067 -7.7180 -7.7180 -7.6708 -7.6690 -7.6690 -7.6647 2.9586 2.9586 9.6066 9.6066 9.8233 9.8233 9.8813 9.9041 10.7817 10.8009 10.8009 10.8212 12.7278 12.7278 12.8947 12.9091 12.9091 12.9135 13.8744 13.8771 13.8771 13.8787 16.3432 16.3432 17.5555 17.5555 k = 0.1304 0.0753 0.0532 ( 4294 PWs) bands (ev): -44.4824 -44.4824 -21.2183 -21.2183 -20.5680 -20.5680 -20.5668 -20.5667 -8.7123 -8.7106 -8.7106 -8.7065 -7.7181 -7.7181 -7.6708 -7.6691 -7.6691 -7.6644 2.9903 2.9903 9.5824 9.5824 9.8305 9.8305 9.8913 9.9162 10.7880 10.8089 10.8089 10.8311 12.6862 12.6862 12.8812 12.8938 12.8938 12.9019 13.8425 13.8459 13.8459 13.8473 16.2033 16.2033 17.5512 17.5512 k = 0.1413 0.0816 0.0577 ( 4300 PWs) bands (ev): -44.4824 -44.4824 -21.2184 -21.2184 -20.5682 -20.5682 -20.5668 -20.5668 -8.7125 -8.7108 -8.7108 -8.7063 -7.7183 -7.7183 -7.6709 -7.6692 -7.6692 -7.6640 3.0245 3.0245 9.5549 9.5549 9.8393 9.8393 9.9022 9.9290 10.7950 10.8175 10.8175 10.8418 12.6421 12.6421 12.8659 12.8767 12.8767 12.8887 13.8099 13.8143 13.8143 13.8154 16.0639 16.0639 17.5454 17.5454 k = 0.1522 0.0879 0.0621 ( 4300 PWs) bands (ev): -44.4824 -44.4824 -21.2185 -21.2185 -20.5684 -20.5684 -20.5669 -20.5668 -8.7126 -8.7110 -8.7110 -8.7061 -7.7185 -7.7185 -7.6709 -7.6693 -7.6693 -7.6637 3.0612 3.0612 9.5243 9.5243 9.8496 9.8496 9.9138 9.9426 10.8028 10.8269 10.8269 10.8531 12.5957 12.5957 12.8487 12.8575 12.8575 12.8735 13.7773 13.7827 13.7827 13.7833 15.9255 15.9255 17.5380 17.5380 k = 0.1630 0.0941 0.0666 ( 4291 PWs) bands (ev): -44.4824 -44.4824 -21.2186 -21.2186 -20.5686 -20.5686 -20.5669 -20.5668 -8.7128 -8.7113 -8.7113 -8.7059 -7.7187 -7.7187 -7.6709 -7.6694 -7.6694 -7.6633 3.1004 3.1004 9.4907 9.4907 9.8611 9.8611 9.9262 9.9569 10.8114 10.8370 10.8370 10.8652 12.5475 12.5475 12.8295 12.8363 12.8363 12.8564 13.7449 13.7515 13.7515 13.7515 15.7889 15.7889 17.5288 17.5288 k = 0.1739 0.1004 0.0710 ( 4291 PWs) bands (ev): -44.4823 -44.4823 -21.2187 -21.2187 -20.5689 -20.5689 -20.5669 -20.5668 -8.7129 -8.7115 -8.7115 -8.7058 -7.7189 -7.7189 -7.6709 -7.6695 -7.6695 -7.6630 3.1420 3.1420 9.4542 9.4542 9.8737 9.8737 9.9392 9.9718 10.8207 10.8477 10.8477 10.8780 12.4976 12.4976 12.8081 12.8128 12.8128 12.8371 13.7132 13.7204 13.7209 13.7209 15.6546 15.6546 17.5179 17.5179 k = 0.1848 0.1067 0.0754 ( 4291 PWs) bands (ev): -44.4823 -44.4823 -21.2188 -21.2188 -20.5691 -20.5691 -20.5669 -20.5668 -8.7130 -8.7117 -8.7117 -8.7057 -7.7191 -7.7191 -7.6708 -7.6696 -7.6696 -7.6627 3.1859 3.1859 9.4149 9.4149 9.8872 9.8872 9.9529 9.9872 10.8307 10.8591 10.8591 10.8915 12.4464 12.4464 12.7845 12.7871 12.7871 12.8156 13.6825 13.6903 13.6913 13.6913 15.5231 15.5231 17.5052 17.5052 k = 0.1957 0.1130 0.0799 ( 4285 PWs) bands (ev): -44.4823 -44.4823 -21.2189 -21.2189 -20.5694 -20.5694 -20.5670 -20.5669 -8.7131 -8.7120 -8.7120 -8.7056 -7.7194 -7.7194 -7.6707 -7.6697 -7.6697 -7.6624 3.2320 3.2320 9.3730 9.3730 9.9015 9.9015 9.9671 10.0032 10.8415 10.8711 10.8711 10.9058 12.3940 12.3940 12.7586 12.7592 12.7592 12.7918 13.6532 13.6614 13.6630 13.6630 15.3948 15.3948 17.4908 17.4908 k = 0.2065 0.1192 0.0843 ( 4285 PWs) bands (ev): -44.4822 -44.4822 -21.2191 -21.2191 -20.5697 -20.5697 -20.5670 -20.5669 -8.7132 -8.7122 -8.7122 -8.7055 -7.7196 -7.7196 -7.6706 -7.6698 -7.6698 -7.6621 3.2802 3.2802 9.3283 9.3283 9.9166 9.9166 9.9819 10.0197 10.8531 10.8838 10.8838 10.9207 12.3409 12.3409 12.7291 12.7291 12.7303 12.7655 13.6254 13.6341 13.6362 13.6362 15.2699 15.2699 17.4748 17.4748 k = 0.2174 0.1255 0.0887 ( 4285 PWs) bands (ev): -44.4822 -44.4822 -21.2192 -21.2192 -20.5699 -20.5699 -20.5670 -20.5669 -8.7132 -8.7125 -8.7125 -8.7054 -7.7198 -7.7198 -7.6705 -7.6700 -7.6700 -7.6618 3.3305 3.3305 9.2811 9.2811 9.9323 9.9323 9.9972 10.0365 10.8654 10.8971 10.8971 10.9363 12.2873 12.2873 12.6968 12.6968 12.6996 12.7369 13.5995 13.6085 13.6110 13.6110 15.1489 15.1489 17.4571 17.4571 k = 0.2283 0.1318 0.0932 ( 4287 PWs) bands (ev): -44.4822 -44.4822 -21.2193 -21.2193 -20.5702 -20.5702 -20.5670 -20.5669 -8.7133 -8.7128 -8.7128 -8.7053 -7.7201 -7.7201 -7.6703 -7.6701 -7.6701 -7.6616 3.3826 3.3826 9.2313 9.2313 9.9486 9.9486 10.0129 10.0536 10.8785 10.9110 10.9110 10.9526 12.2335 12.2335 12.6624 12.6624 12.6667 12.7059 13.5756 13.5848 13.5874 13.5874 15.0318 15.0318 17.4380 17.4380 k = 0.2391 0.1381 0.0976 ( 4275 PWs) bands (ev): -44.4822 -44.4822 -21.2195 -21.2195 -20.5705 -20.5705 -20.5671 -20.5670 -8.7133 -8.7130 -8.7130 -8.7053 -7.7203 -7.7203 -7.6702 -7.6702 -7.6702 -7.6613 3.4366 3.4366 9.1791 9.1791 9.9654 9.9654 10.0289 10.0710 10.8924 10.9254 10.9254 10.9696 12.1799 12.1799 12.6263 12.6263 12.6317 12.6728 13.5536 13.5630 13.5657 13.5657 14.9189 14.9189 17.4176 17.4176 k = 0.2500 0.1443 0.1021 ( 4272 PWs) bands (ev): -44.4821 -44.4821 -21.2196 -21.2196 -20.5708 -20.5708 -20.5671 -20.5670 -8.7133 -8.7133 -8.7133 -8.7053 -7.7206 -7.7206 -7.6703 -7.6703 -7.6700 -7.6611 3.4923 3.4923 9.1245 9.1245 9.9825 9.9825 10.0453 10.0886 10.9070 10.9404 10.9404 10.9872 12.1267 12.1267 12.5884 12.5884 12.5946 12.6375 13.5338 13.5431 13.5456 13.5456 14.8104 14.8104 17.3959 17.3959 k = 0.2609 0.1506 0.1065 ( 4266 PWs) bands (ev): -44.4821 -44.4821 -21.2197 -21.2197 -20.5710 -20.5710 -20.5671 -20.5670 -8.7136 -8.7136 -8.7133 -8.7053 -7.7208 -7.7208 -7.6705 -7.6705 -7.6697 -7.6609 3.5495 3.5495 9.0677 9.0677 10.0000 10.0000 10.0620 10.1063 10.9224 10.9559 10.9559 11.0054 12.0742 12.0742 12.5491 12.5491 12.5557 12.6004 13.5159 13.5252 13.5272 13.5272 14.7064 14.7064 17.3731 17.3731 k = 0.2717 0.1569 0.1109 ( 4263 PWs) bands (ev): -44.4821 -44.4821 -21.2199 -21.2199 -20.5713 -20.5713 -20.5671 -20.5670 -8.7139 -8.7139 -8.7132 -8.7053 -7.7210 -7.7210 -7.6706 -7.6706 -7.6695 -7.6607 3.6080 3.6080 9.0088 9.0088 10.0177 10.0177 10.0788 10.1239 10.9385 10.9719 10.9719 11.0242 12.0227 12.0227 12.5085 12.5085 12.5152 12.5616 13.4999 13.5091 13.5105 13.5105 14.6069 14.6069 17.3495 17.3495 k = 0.2826 0.1632 0.1154 ( 4281 PWs) bands (ev): -44.4820 -44.4820 -21.2200 -21.2200 -20.5716 -20.5716 -20.5672 -20.5671 -8.7141 -8.7141 -8.7132 -8.7053 -7.7213 -7.7213 -7.6707 -7.6707 -7.6693 -7.6606 3.6677 3.6677 8.9480 8.9480 10.0355 10.0355 10.0958 10.1415 10.9554 10.9882 10.9882 11.0436 11.9725 11.9725 12.4670 12.4670 12.4734 12.5214 13.4858 13.4947 13.4952 13.4952 14.5121 14.5121 17.3252 17.3252 k = 0.2935 0.1694 0.1198 ( 4275 PWs) bands (ev): -44.4820 -44.4820 -21.2201 -21.2201 -20.5718 -20.5718 -20.5672 -20.5671 -8.7144 -8.7144 -8.7131 -8.7054 -7.7215 -7.7215 -7.6709 -7.6709 -7.6690 -7.6605 3.7283 3.7283 8.8854 8.8854 10.0534 10.0534 10.1128 10.1590 10.9730 11.0049 11.0049 11.0636 11.9239 11.9239 12.4248 12.4248 12.4304 12.4801 13.4734 13.4814 13.4814 13.4819 14.4220 14.4220 17.3003 17.3003 k = 0.3043 0.1757 0.1242 ( 4272 PWs) bands (ev): -44.4820 -44.4820 -21.2203 -21.2203 -20.5721 -20.5721 -20.5672 -20.5671 -8.7147 -8.7147 -8.7130 -8.7055 -7.7217 -7.7217 -7.6710 -7.6710 -7.6687 -7.6603 3.7896 3.7896 8.8214 8.8214 10.0713 10.0713 10.1298 10.1762 10.9914 11.0219 11.0219 11.0840 11.8771 11.8771 12.3821 12.3821 12.3866 12.4378 13.4625 13.4689 13.4689 13.4707 14.3366 14.3366 17.2751 17.2751 k = 0.3152 0.1820 0.1287 ( 4272 PWs) bands (ev): -44.4819 -44.4819 -21.2204 -21.2204 -20.5724 -20.5724 -20.5672 -20.5671 -8.7149 -8.7149 -8.7129 -8.7056 -7.7220 -7.7220 -7.6711 -7.6711 -7.6684 -7.6603 3.8515 3.8515 8.7563 8.7563 10.0891 10.0891 10.1467 10.1931 11.0106 11.0392 11.0392 11.1049 11.8323 11.8323 12.3392 12.3392 12.3422 12.3949 13.4530 13.4577 13.4577 13.4608 14.2559 14.2559 17.2497 17.2497 k = 0.3261 0.1883 0.1331 ( 4272 PWs) bands (ev): -44.4819 -44.4819 -21.2205 -21.2205 -20.5726 -20.5726 -20.5673 -20.5672 -8.7152 -8.7152 -8.7128 -8.7057 -7.7222 -7.7222 -7.6713 -7.6713 -7.6681 -7.6602 3.9135 3.9135 8.6903 8.6903 10.1067 10.1067 10.1635 10.2095 11.0304 11.0566 11.0566 11.1263 11.7897 11.7897 12.2963 12.2963 12.2975 12.3517 13.4449 13.4475 13.4475 13.4522 14.1799 14.1799 17.2245 17.2245 k = 0.3370 0.1945 0.1376 ( 4272 PWs) bands (ev): -44.4819 -44.4819 -21.2206 -21.2206 -20.5729 -20.5729 -20.5673 -20.5672 -8.7154 -8.7154 -8.7126 -8.7058 -7.7224 -7.7224 -7.6714 -7.6714 -7.6677 -7.6602 3.9754 3.9754 8.6238 8.6238 10.1240 10.1240 10.1800 10.2254 11.0510 11.0740 11.0740 11.1480 11.7495 11.7495 12.2526 12.2537 12.2537 12.3082 13.4378 13.4383 13.4383 13.4447 14.1087 14.1087 17.1994 17.1995 k = 0.3478 0.2008 0.1420 ( 4272 PWs) bands (ev): -44.4819 -44.4819 -21.2207 -21.2207 -20.5731 -20.5731 -20.5673 -20.5672 -8.7157 -8.7157 -8.7125 -8.7059 -7.7226 -7.7226 -7.6715 -7.6715 -7.6674 -7.6602 4.0369 4.0369 8.5574 8.5574 10.1409 10.1409 10.1962 10.2407 11.0722 11.0915 11.0915 11.1700 11.7120 11.7120 12.2079 12.2116 12.2116 12.2649 13.4301 13.4301 13.4318 13.4382 14.0421 14.0421 17.1749 17.1749 k = 0.3587 0.2071 0.1464 ( 4275 PWs) bands (ev): -44.4818 -44.4818 -21.2208 -21.2208 -20.5733 -20.5733 -20.5673 -20.5672 -8.7159 -8.7159 -8.7123 -8.7061 -7.7228 -7.7228 -7.6716 -7.6716 -7.6670 -7.6602 4.0975 4.0975 8.4914 8.4914 10.1573 10.1573 10.2120 10.2553 11.0941 11.1088 11.1088 11.1923 11.6771 11.6771 12.1636 12.1702 12.1702 12.2218 13.4227 13.4227 13.4267 13.4325 13.9803 13.9803 17.1510 17.1511 k = 0.3696 0.2134 0.1509 ( 4272 PWs) bands (ev): -44.4818 -44.4818 -21.2209 -21.2209 -20.5735 -20.5735 -20.5673 -20.5673 -8.7161 -8.7161 -8.7121 -8.7063 -7.7230 -7.7230 -7.6717 -7.6717 -7.6667 -7.6602 4.1568 4.1568 8.4265 8.4265 10.1732 10.1732 10.2274 10.2690 11.1166 11.1258 11.1258 11.2147 11.6452 11.6452 12.1199 12.1298 12.1298 12.1792 13.4161 13.4161 13.4223 13.4277 13.9232 13.9232 17.1280 17.1280 k = 0.3804 0.2196 0.1553 ( 4284 PWs) bands (ev): -44.4818 -44.4818 -21.2210 -21.2210 -20.5737 -20.5737 -20.5674 -20.5673 -8.7163 -8.7163 -8.7119 -8.7064 -7.7231 -7.7231 -7.6718 -7.6718 -7.6663 -7.6603 4.2144 4.2144 8.3630 8.3630 10.1883 10.1883 10.2421 10.2819 11.1397 11.1424 11.1424 11.2371 11.6162 11.6162 12.0772 12.0906 12.0906 12.1374 13.4102 13.4102 13.4187 13.4236 13.8708 13.8708 17.1061 17.1061 k = 0.3913 0.2259 0.1597 ( 4278 PWs) bands (ev): -44.4818 -44.4818 -21.2211 -21.2211 -20.5739 -20.5739 -20.5674 -20.5673 -8.7165 -8.7165 -8.7117 -8.7066 -7.7233 -7.7233 -7.6719 -7.6719 -7.6660 -7.6604 4.2699 4.2699 8.3018 8.3018 10.2026 10.2026 10.2562 10.2937 11.1584 11.1584 11.1634 11.2593 11.5904 11.5904 12.0356 12.0528 12.0528 12.0964 13.4049 13.4049 13.4157 13.4201 13.8230 13.8230 17.0854 17.0854 k = 0.4022 0.2322 0.1642 ( 4257 PWs) bands (ev): -44.4817 -44.4817 -21.2212 -21.2212 -20.5740 -20.5740 -20.5674 -20.5673 -8.7167 -8.7167 -8.7115 -8.7069 -7.7234 -7.7234 -7.6720 -7.6720 -7.6656 -7.6605 4.3226 4.3226 8.2434 8.2434 10.2160 10.2160 10.2696 10.3045 11.1735 11.1735 11.1874 11.2811 11.5677 11.5677 11.9957 12.0168 12.0168 12.0565 13.4002 13.4002 13.4132 13.4171 13.7799 13.7799 17.0661 17.0661 k = 0.4130 0.2385 0.1686 ( 4263 PWs) bands (ev): -44.4817 -44.4817 -21.2213 -21.2213 -20.5742 -20.5742 -20.5674 -20.5673 -8.7168 -8.7168 -8.7112 -8.7071 -7.7236 -7.7236 -7.6721 -7.6721 -7.6652 -7.6606 4.3719 4.3719 8.1886 8.1886 10.2284 10.2284 10.2821 10.3141 11.1876 11.1876 11.2117 11.3023 11.5484 11.5484 11.9577 11.9828 11.9828 12.0180 13.3961 13.3961 13.4112 13.4146 13.7413 13.7413 17.0483 17.0483 k = 0.4239 0.2447 0.1731 ( 4263 PWs) bands (ev): -44.4817 -44.4817 -21.2213 -21.2213 -20.5743 -20.5743 -20.5674 -20.5674 -8.7170 -8.7170 -8.7110 -8.7073 -7.7237 -7.7237 -7.6722 -7.6722 -7.6649 -7.6608 4.4175 4.4175 8.1379 8.1379 10.2396 10.2396 10.2937 10.3224 11.2005 11.2005 11.2361 11.3225 11.5323 11.5323 11.9221 11.9511 11.9511 11.9812 13.3924 13.3924 13.4095 13.4125 13.7074 13.7074 17.0323 17.0323 k = 0.4348 0.2510 0.1775 ( 4275 PWs) bands (ev): -44.4817 -44.4817 -21.2214 -21.2214 -20.5744 -20.5744 -20.5674 -20.5674 -8.7171 -8.7171 -8.7107 -8.7075 -7.7238 -7.7238 -7.6722 -7.6722 -7.6645 -7.6610 4.4585 4.4585 8.0922 8.0922 10.2496 10.2496 10.3042 10.3295 11.2118 11.2118 11.2604 11.3411 11.5195 11.5195 11.8897 11.9221 11.9221 11.9463 13.3893 13.3893 13.4083 13.4108 13.6781 13.6781 17.0181 17.0181 k = 0.4457 0.2573 0.1819 ( 4281 PWs) bands (ev): -44.4817 -44.4817 -21.2214 -21.2214 -20.5745 -20.5745 -20.5674 -20.5674 -8.7172 -8.7172 -8.7105 -8.7078 -7.7239 -7.7239 -7.6723 -7.6723 -7.6642 -7.6612 4.4945 4.4945 8.0521 8.0521 10.2582 10.2582 10.3137 10.3352 11.2215 11.2215 11.2843 11.3574 11.5098 11.5098 11.8611 11.8962 11.8962 11.9137 13.3867 13.3867 13.4073 13.4094 13.6533 13.6533 17.0059 17.0059 k = 0.4565 0.2636 0.1864 ( 4287 PWs) bands (ev): -44.4817 -44.4817 -21.2215 -21.2215 -20.5746 -20.5746 -20.5674 -20.5674 -8.7173 -8.7173 -8.7102 -8.7081 -7.7240 -7.7240 -7.6723 -7.6723 -7.6638 -7.6614 4.5248 4.5248 8.0182 8.0182 10.2654 10.2654 10.3220 10.3395 11.2293 11.2293 11.3073 11.3706 11.5030 11.5030 11.8372 11.8739 11.8739 11.8839 13.3845 13.3845 13.4066 13.4083 13.6331 13.6331 16.9958 16.9958 k = 0.4674 0.2698 0.1908 ( 4287 PWs) bands (ev): -44.4817 -44.4817 -21.2215 -21.2215 -20.5747 -20.5747 -20.5674 -20.5674 -8.7174 -8.7174 -8.7099 -8.7083 -7.7240 -7.7240 -7.6724 -7.6724 -7.6635 -7.6617 4.5490 4.5490 7.9912 7.9912 10.2711 10.2711 10.3290 10.3423 11.2353 11.2353 11.3288 11.3798 11.4985 11.4985 11.8192 11.8558 11.8558 11.8576 13.3828 13.3828 13.4061 13.4074 13.6174 13.6174 16.9878 16.9878 k = 0.4783 0.2761 0.1952 ( 4299 PWs) bands (ev): -44.4817 -44.4817 -21.2215 -21.2215 -20.5747 -20.5747 -20.5674 -20.5674 -8.7174 -8.7174 -8.7097 -8.7086 -7.7241 -7.7241 -7.6724 -7.6724 -7.6631 -7.6619 4.5666 4.5666 7.9716 7.9716 10.2752 10.2752 10.3348 10.3437 11.2395 11.2395 11.3480 11.3841 11.4959 11.4959 11.8080 11.8355 11.8423 11.8423 13.3816 13.3816 13.4058 13.4067 13.6062 13.6062 16.9821 16.9821 k = 0.4891 0.2824 0.1997 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2215 -21.2215 -20.5748 -20.5748 -20.5674 -20.5674 -8.7175 -8.7175 -8.7094 -8.7089 -7.7241 -7.7241 -7.6724 -7.6724 -7.6628 -7.6622 4.5773 4.5773 7.9596 7.9596 10.2777 10.2777 10.3391 10.3436 11.2419 11.2419 11.3641 11.3828 11.4945 11.4945 11.8042 11.8186 11.8340 11.8340 13.3809 13.3809 13.4058 13.4062 13.5995 13.5995 16.9786 16.9786 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2216 -20.5748 -20.5748 -20.5674 -20.5674 -8.7175 -8.7175 -8.7091 -8.7091 -7.7241 -7.7241 -7.6724 -7.6724 -7.6625 -7.6625 4.5809 4.5809 7.9556 7.9556 10.2785 10.2785 10.3421 10.3421 11.2427 11.2427 11.3760 11.3760 11.4942 11.4942 11.8079 11.8079 11.8312 11.8312 13.3806 13.3806 13.4059 13.4059 13.5973 13.5973 16.9775 16.9775 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2216 -20.5748 -20.5748 -20.5674 -20.5674 -8.7175 -8.7175 -8.7091 -8.7091 -7.7241 -7.7241 -7.6724 -7.6724 -7.6625 -7.6625 4.5809 4.5809 7.9556 7.9556 10.2785 10.2785 10.3421 10.3421 11.2427 11.2427 11.3760 11.3760 11.4942 11.4942 11.8079 11.8079 11.8312 11.8312 13.3806 13.3806 13.4059 13.4059 13.5973 13.5973 16.9775 16.9775 k = 0.5038 0.2777 0.2103 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5748 -20.5674 -20.5674 -8.7176 -8.7174 -8.7091 -8.7091 -7.7242 -7.7240 -7.6725 -7.6724 -7.6625 -7.6625 4.5817 4.5820 7.9562 7.9574 10.2767 10.2785 10.3414 10.3414 11.2414 11.2432 11.3756 11.3756 11.4896 11.4949 11.8084 11.8085 11.8303 11.8334 13.3788 13.3826 13.4060 13.4060 13.5958 13.5994 16.9665 16.9696 k = 0.5076 0.2668 0.2165 ( 4292 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5674 -20.5674 -8.7177 -8.7173 -8.7091 -8.7091 -7.7243 -7.7240 -7.6725 -7.6723 -7.6625 -7.6625 4.5844 4.5849 7.9591 7.9615 10.2730 10.2765 10.3397 10.3398 11.2391 11.2429 11.3745 11.3745 11.4816 11.4920 11.8100 11.8104 11.8306 11.8369 13.3771 13.3845 13.4063 13.4064 13.5951 13.6022 16.9365 16.9430 k = 0.5114 0.2559 0.2227 ( 4296 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7179 -8.7172 -8.7091 -8.7091 -7.7243 -7.7239 -7.6726 -7.6723 -7.6625 -7.6624 4.5888 4.5896 7.9644 7.9680 10.2665 10.2715 10.3375 10.3379 11.2359 11.2416 11.3725 11.3725 11.4706 11.4858 11.8121 11.8135 11.8319 11.8418 13.3755 13.3864 13.4068 13.4069 13.5952 13.6057 16.8877 16.8976 k = 0.5152 0.2449 0.2289 ( 4296 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7180 -8.7171 -8.7091 -8.7091 -7.7245 -7.7239 -7.6727 -7.6723 -7.6624 -7.6624 4.5951 4.5961 7.9720 7.9768 10.2563 10.2627 10.3360 10.3370 11.2317 11.2394 11.3695 11.3695 11.4573 11.4770 11.8147 11.8173 11.8343 11.8478 13.3740 13.3881 13.4073 13.4075 13.5964 13.6100 16.8220 16.8350 k = 0.5189 0.2340 0.2351 ( 4292 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5676 -20.5676 -8.7182 -8.7171 -8.7091 -8.7090 -7.7246 -7.7238 -7.6728 -7.6722 -7.6624 -7.6624 4.6031 4.6044 7.9818 7.9879 10.2417 10.2493 10.3358 10.3378 11.2264 11.2361 11.3655 11.3656 11.4424 11.4662 11.8176 11.8216 11.8376 11.8545 13.3726 13.3896 13.4080 13.4081 13.5987 13.6151 16.7426 16.7579 k = 0.5227 0.2231 0.2412 ( 4290 PWs) bands (ev): -44.4817 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5676 -20.5676 -8.7184 -8.7171 -8.7091 -8.7090 -7.7247 -7.7238 -7.6729 -7.6722 -7.6624 -7.6623 4.6129 4.6144 7.9938 8.0014 10.2224 10.2312 10.3373 10.3404 11.2200 11.2318 11.3600 11.3604 11.4271 11.4543 11.8207 11.8260 11.8416 11.8615 13.3712 13.3908 13.4083 13.4086 13.6023 13.6210 16.6531 16.6700 k = 0.5265 0.2121 0.2474 ( 4290 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5677 -20.5677 -8.7185 -8.7171 -8.7091 -8.7090 -7.7248 -7.7238 -7.6730 -7.6722 -7.6624 -7.6622 4.6245 4.6262 8.0079 8.0170 10.1986 10.2087 10.3403 10.3448 11.2124 11.2261 11.3527 11.3539 11.4124 11.4422 11.8241 11.8304 11.8459 11.8684 13.3695 13.3919 13.4079 13.4092 13.6076 13.6280 16.5567 16.5746 k = 0.5303 0.2012 0.2536 ( 4288 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5747 -20.5745 -20.5678 -20.5678 -8.7187 -8.7171 -8.7091 -8.7089 -7.7250 -7.7238 -7.6731 -7.6721 -7.6624 -7.6621 4.6377 4.6397 8.0241 8.0348 10.1705 10.1821 10.3449 10.3507 11.2035 11.2188 11.3433 11.3459 11.3994 11.4307 11.8279 11.8349 11.8502 11.8750 13.3675 13.3927 13.4066 13.4097 13.6145 13.6361 16.4558 16.4742 k = 0.5341 0.1903 0.2598 ( 4284 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5745 -20.5679 -20.5679 -8.7189 -8.7171 -8.7091 -8.7088 -7.7251 -7.7238 -7.6733 -7.6721 -7.6624 -7.6620 4.6526 4.6548 8.0422 8.0547 10.1385 10.1518 10.3507 10.3579 11.1931 11.2097 11.3318 11.3364 11.3887 11.4203 11.8318 11.8395 11.8541 11.8811 13.3650 13.3933 13.4044 13.4102 13.6233 13.6454 16.3522 16.3708 k = 0.5379 0.1793 0.2660 ( 4289 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5744 -20.5680 -20.5680 -8.7191 -8.7171 -8.7091 -8.7088 -7.7253 -7.7238 -7.6734 -7.6720 -7.6624 -7.6619 4.6690 4.6715 8.0622 8.0765 10.1028 10.1182 10.3576 10.3661 11.1812 11.1985 11.3191 11.3255 11.3800 11.4113 11.8360 11.8441 11.8573 11.8864 13.3619 13.3932 13.4014 13.4106 13.6339 13.6559 16.2472 16.2657 k = 0.5417 0.1684 0.2722 ( 4286 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5747 -20.5744 -20.5681 -20.5681 -8.7193 -8.7172 -8.7091 -8.7087 -7.7254 -7.7238 -7.6736 -7.6720 -7.6624 -7.6618 4.6870 4.6897 8.0838 8.1003 10.0638 10.0816 10.3656 10.3754 11.1679 11.1849 11.3063 11.3137 11.3728 11.4038 11.8404 11.8487 11.8598 11.8908 13.3580 13.3912 13.3991 13.4110 13.6462 13.6677 16.1420 16.1601 k = 0.5455 0.1575 0.2784 ( 4292 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5747 -20.5743 -20.5682 -20.5682 -8.7194 -8.7173 -8.7091 -8.7086 -7.7256 -7.7238 -7.6737 -7.6719 -7.6624 -7.6617 4.7064 4.7093 8.1069 8.1257 10.0217 10.0423 10.3744 10.3857 11.1530 11.1690 11.2941 11.3013 11.3667 11.3976 11.8448 11.8528 11.8620 11.8943 13.3531 13.3859 13.3986 13.4114 13.6602 13.6807 16.0374 16.0550 k = 0.5492 0.1465 0.2845 ( 4292 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5743 -20.5684 -20.5683 -8.7196 -8.7174 -8.7092 -8.7085 -7.7258 -7.7238 -7.6739 -7.6718 -7.6624 -7.6615 4.7272 4.7303 8.1314 8.1527 9.9770 10.0007 10.3842 10.3968 11.1369 11.1509 11.2830 11.2888 11.3612 11.3926 11.8493 11.8551 11.8649 11.8970 13.3472 13.3784 13.3990 13.4119 13.6757 13.6948 15.9341 15.9510 k = 0.5530 0.1356 0.2907 ( 4290 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5742 -20.5685 -20.5684 -8.7198 -8.7175 -8.7092 -8.7084 -7.7260 -7.7238 -7.6740 -7.6717 -7.6624 -7.6614 4.7493 4.7526 8.1569 8.1811 9.9301 9.9573 10.3947 10.4087 11.1195 11.1312 11.2730 11.2764 11.3563 11.3885 11.8535 11.8547 11.8693 11.8990 13.3403 13.3694 13.3998 13.4126 13.6924 13.7100 15.8328 15.8490 k = 0.5568 0.1247 0.2969 ( 4292 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2215 -20.5746 -20.5742 -20.5686 -20.5685 -8.7199 -8.7176 -8.7093 -8.7083 -7.7262 -7.7239 -7.6742 -7.6716 -7.6625 -7.6613 4.7725 4.7761 8.1831 8.2105 9.8813 9.9125 10.4059 10.4214 11.1012 11.1103 11.2638 11.2642 11.3519 11.3852 11.8522 11.8572 11.8746 11.9004 13.3324 13.3592 13.4008 13.4133 13.7102 13.7261 15.7340 15.7494 k = 0.5606 0.1137 0.3031 ( 4291 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2216 -20.5745 -20.5741 -20.5688 -20.5687 -8.7201 -8.7177 -8.7093 -8.7082 -7.7264 -7.7239 -7.6744 -7.6715 -7.6625 -7.6611 4.7969 4.8006 8.2098 8.2408 9.8313 9.8669 10.4179 10.4347 11.0822 11.0886 11.2522 11.2553 11.3478 11.3828 11.8480 11.8602 11.8804 11.9017 13.3234 13.3479 13.4018 13.4143 13.7288 13.7430 15.6382 15.6528 k = 0.5644 0.1028 0.3093 ( 4285 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5689 -20.5688 -8.7202 -8.7178 -8.7094 -8.7081 -7.7265 -7.7239 -7.6745 -7.6714 -7.6626 -7.6610 4.8221 4.8260 8.2365 8.2714 9.7805 9.8210 10.4304 10.4488 11.0628 11.0665 11.2406 11.2471 11.3443 11.3812 11.8424 11.8618 11.8863 11.9032 13.3134 13.3357 13.4031 13.4155 13.7480 13.7605 15.5459 15.5595 k = 0.5682 0.0919 0.3155 ( 4283 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5691 -20.5689 -8.7204 -8.7179 -8.7095 -8.7080 -7.7267 -7.7240 -7.6747 -7.6713 -7.6627 -7.6608 4.8482 4.8523 8.2628 8.3020 9.7297 9.7755 10.4435 10.4634 11.0432 11.0443 11.2291 11.2392 11.3412 11.3803 11.8353 11.8618 11.8924 11.9053 13.3026 13.3227 13.4045 13.4169 13.7676 13.7783 15.4573 15.4700 k = 0.5720 0.0809 0.3217 ( 4280 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2216 -20.5745 -20.5739 -20.5692 -20.5690 -8.7205 -8.7180 -8.7096 -8.7079 -7.7269 -7.7240 -7.6748 -7.6711 -7.6628 -7.6607 4.8749 4.8792 8.2879 8.3320 9.6797 9.7313 10.4571 10.4785 11.0223 11.0236 11.2178 11.2314 11.3386 11.3803 11.8269 11.8599 11.8984 11.9083 13.2911 13.3091 13.4060 13.4185 13.7872 13.7962 15.3728 15.3847 k = 0.5758 0.0700 0.3278 ( 4280 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2217 -20.5745 -20.5739 -20.5693 -20.5691 -8.7206 -8.7181 -8.7097 -8.7078 -7.7271 -7.7241 -7.6749 -7.6710 -7.6628 -7.6606 4.9021 4.9065 8.3114 8.3607 9.6314 9.6892 10.4711 10.4941 11.0007 11.0042 11.2066 11.2235 11.3365 11.3811 11.8172 11.8562 11.9043 11.9121 13.2790 13.2951 13.4078 13.4204 13.8065 13.8140 15.2927 15.3038 k = 0.5795 0.0590 0.3340 ( 4272 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5745 -20.5738 -20.5695 -20.5692 -8.7207 -8.7183 -8.7098 -8.7077 -7.7273 -7.7242 -7.6750 -7.6708 -7.6629 -7.6604 4.9297 4.9342 8.3325 8.3872 9.5859 9.6502 10.4855 10.5102 10.9797 10.9853 11.1955 11.2156 11.3350 11.3828 11.8063 11.8512 11.9102 11.9164 13.2665 13.2807 13.4099 13.4225 13.8254 13.8313 15.2173 15.2276 k = 0.5833 0.0481 0.3402 ( 4270 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5744 -20.5738 -20.5696 -20.5693 -8.7208 -8.7184 -8.7099 -8.7076 -7.7275 -7.7242 -7.6752 -7.6706 -7.6630 -7.6603 4.9573 4.9620 8.3502 8.4106 9.5445 9.6152 10.5002 10.5265 10.9593 10.9668 11.1845 11.2076 11.3339 11.3853 11.7944 11.8449 11.9158 11.9211 13.2536 13.2662 13.4122 13.4250 13.8434 13.8479 15.1469 15.1565 k = 0.5871 0.0372 0.3464 ( 4271 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2217 -20.5744 -20.5737 -20.5697 -20.5694 -8.7208 -8.7185 -8.7100 -8.7076 -7.7277 -7.7243 -7.6753 -7.6705 -7.6631 -7.6602 4.9848 4.9896 8.3639 8.4298 9.5083 9.5855 10.5150 10.5430 10.9399 10.9491 11.1737 11.1995 11.3333 11.3886 11.7816 11.8379 11.9212 11.9258 13.2407 13.2517 13.4150 13.4279 13.8601 13.8633 15.0817 15.0907 k = 0.5909 0.0262 0.3526 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2218 -20.5744 -20.5737 -20.5698 -20.5695 -8.7209 -8.7186 -8.7102 -8.7075 -7.7278 -7.7244 -7.6753 -7.6703 -7.6632 -7.6601 5.0119 5.0168 8.3727 8.4437 9.4790 9.5620 10.5299 10.5597 10.9214 10.9322 11.1629 11.1913 11.3330 11.3928 11.7679 11.8303 11.9262 11.9306 13.2278 13.2373 13.4181 13.4313 13.8753 13.8772 15.0221 15.0305 k = 0.5947 0.0153 0.3588 ( 4278 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2218 -20.5745 -20.5737 -20.5699 -20.5696 -8.7209 -8.7187 -8.7103 -8.7074 -7.7280 -7.7244 -7.6754 -7.6701 -7.6633 -7.6600 5.0384 5.0434 8.3760 8.4511 9.4577 9.5455 10.5449 10.5764 10.9040 10.9163 11.1523 11.1830 11.3331 11.3977 11.7537 11.8225 11.9310 11.9352 13.2150 13.2232 13.4218 13.4351 13.8884 13.8893 14.9684 14.9762 k = 0.5985 0.0044 0.3649 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5745 -20.5737 -20.5700 -20.5696 -8.7210 -8.7188 -8.7104 -8.7073 -7.7282 -7.7245 -7.6755 -7.6699 -7.6635 -7.6599 5.0640 5.0691 8.3734 8.4515 9.4456 9.5369 10.5597 10.5930 10.8878 10.9014 11.1418 11.1747 11.3333 11.4033 11.7391 11.8148 11.9353 11.9395 13.2027 13.2096 13.4260 13.4395 13.8990 13.8991 14.9209 14.9281 k = 0.6023-0.0066 0.3711 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2219 -20.5745 -20.5737 -20.5701 -20.5697 -8.7210 -8.7189 -8.7106 -8.7072 -7.7283 -7.7246 -7.6755 -7.6697 -7.6636 -7.6599 5.0884 5.0935 8.3649 8.4444 9.4432 9.5363 10.5744 10.6094 10.8728 10.8877 11.1316 11.1664 11.3334 11.4093 11.7246 11.8074 11.9391 11.9435 13.1909 13.1966 13.4309 13.4446 13.9061 13.9069 14.8798 14.8865 k = 0.6061-0.0175 0.3773 ( 4271 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2219 -20.5745 -20.5737 -20.5701 -20.5697 -8.7210 -8.7190 -8.7107 -8.7072 -7.7284 -7.7247 -7.6756 -7.6695 -7.6637 -7.6598 5.1113 5.1164 8.3508 8.4302 9.4504 9.5436 10.5887 10.6255 10.8593 10.8753 11.1216 11.1580 11.3334 11.4156 11.7105 11.8008 11.9426 11.9472 13.1797 13.1843 13.4366 13.4504 13.9101 13.9115 14.8454 14.8515 k = 0.6098-0.0284 0.3835 ( 4269 PWs) bands (ev): -44.4815 -44.4814 -21.2228 -21.2219 -20.5746 -20.5737 -20.5701 -20.5697 -8.7209 -8.7191 -8.7109 -8.7071 -7.7285 -7.7248 -7.6756 -7.6693 -7.6638 -7.6598 5.1323 5.1373 8.3317 8.4098 9.4668 9.5586 10.6025 10.6409 10.8471 10.8643 11.1119 11.1497 11.3330 11.4216 11.6973 11.7953 11.9455 11.9505 13.1693 13.1728 13.4432 13.4571 13.9110 13.9128 14.8178 14.8232 k = 0.6136-0.0394 0.3897 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5746 -20.5738 -20.5701 -20.5697 -8.7209 -8.7192 -8.7110 -8.7071 -7.7286 -7.7248 -7.6756 -7.6691 -7.6639 -7.6598 5.1510 5.1560 8.3088 8.3843 9.4914 9.5804 10.6158 10.6557 10.8365 10.8548 11.1026 11.1414 11.3320 11.4270 11.6858 11.7912 11.9479 11.9534 13.1598 13.1622 13.4507 13.4646 13.9085 13.9105 14.7971 14.8018 k = 0.6174-0.0503 0.3959 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5746 -20.5738 -20.5702 -20.5697 -8.7208 -8.7193 -8.7112 -8.7070 -7.7287 -7.7249 -7.6756 -7.6689 -7.6639 -7.6598 5.1671 5.1721 8.2830 8.3552 9.5231 9.6083 10.6284 10.6696 10.8275 10.8468 11.0937 11.1332 11.3302 11.4310 11.6767 11.7888 11.9500 11.9559 13.1512 13.1527 13.4593 13.4733 13.9028 13.9048 14.7832 14.7870 k = 0.6212-0.0612 0.4021 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5738 -20.5701 -20.5697 -8.7207 -8.7193 -8.7114 -8.7070 -7.7288 -7.7250 -7.6755 -7.6688 -7.6640 -7.6598 5.1802 5.1852 8.2555 8.3240 9.5607 9.6414 10.6401 10.6824 10.8201 10.8404 11.0853 11.1251 11.3274 11.4328 11.6709 11.7885 11.9516 11.9581 13.1438 13.1443 13.4690 13.4830 13.8942 13.8960 14.7757 14.7786 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.6184-0.0684 0.4190 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7116 -8.7069 -7.7288 -7.7251 -7.6755 -7.6686 -7.6640 -7.6599 5.1903 5.1952 8.2287 8.2936 9.6013 9.6772 10.6519 10.6947 10.8135 10.8360 11.0775 11.1171 11.3228 11.4313 11.6691 11.7903 11.9496 11.9606 13.1353 13.1385 13.4801 13.4945 13.8834 13.8855 14.7673 14.7737 k = 0.6118-0.0646 0.4297 ( 4269 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7117 -8.7068 -7.7288 -7.7251 -7.6755 -7.6686 -7.6641 -7.6598 5.1914 5.1963 8.2322 8.2979 9.5962 9.6725 10.6547 10.6968 10.8111 10.8368 11.0778 11.1173 11.3211 11.4300 11.6685 11.7897 11.9420 11.9600 13.1331 13.1394 13.4804 13.4958 13.8848 13.8881 14.7510 14.7625 k = 0.6053-0.0608 0.4405 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5702 -20.5697 -8.7206 -8.7193 -8.7119 -8.7067 -7.7288 -7.7251 -7.6756 -7.6686 -7.6641 -7.6598 5.1932 5.1981 8.2381 8.3051 9.5876 9.6646 10.6592 10.7002 10.8075 10.8379 11.0784 11.1176 11.3184 11.4279 11.6676 11.7887 11.9315 11.9572 13.1307 13.1398 13.4810 13.4979 13.8876 13.8922 14.7277 14.7431 k = 0.5987-0.0570 0.4512 ( 4263 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5738 -20.5702 -20.5698 -8.7206 -8.7193 -8.7121 -8.7065 -7.7289 -7.7250 -7.6757 -7.6685 -7.6641 -7.6598 5.1957 5.2007 8.2461 8.3151 9.5757 9.6538 10.6653 10.7047 10.8030 10.8390 11.0792 11.1181 11.3146 11.4249 11.6662 11.7872 11.9187 11.9522 13.1281 13.1398 13.4817 13.5003 13.8918 13.8978 14.6993 14.7171 k = 0.5921-0.0532 0.4620 ( 4267 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5738 -20.5702 -20.5698 -8.7206 -8.7192 -8.7124 -8.7063 -7.7289 -7.7250 -7.6758 -7.6684 -7.6642 -7.6598 5.1989 5.2039 8.2564 8.3278 9.5605 9.6400 10.6729 10.7102 10.7980 10.8402 11.0802 11.1186 11.3098 11.4213 11.6644 11.7853 11.9039 11.9452 13.1254 13.1393 13.4824 13.5028 13.8975 13.9049 14.6673 14.6864 k = 0.5855-0.0494 0.4727 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5738 -20.5702 -20.5699 -8.7206 -8.7191 -8.7128 -8.7061 -7.7289 -7.7250 -7.6759 -7.6683 -7.6642 -7.6598 5.2027 5.2077 8.2687 8.3432 9.5420 9.6235 10.6816 10.7164 10.7926 10.8415 11.0814 11.1191 11.3042 11.4170 11.6620 11.7829 11.8876 11.9365 13.1227 13.1385 13.4830 13.5051 13.9048 13.9135 14.6330 14.6527 k = 0.5789-0.0456 0.4835 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5746 -20.5737 -20.5703 -20.5699 -8.7206 -8.7190 -8.7131 -8.7059 -7.7290 -7.7250 -7.6760 -7.6682 -7.6643 -7.6597 5.2070 5.2120 8.2829 8.3611 9.5204 9.6045 10.6911 10.7230 10.7872 10.8430 11.0827 11.1197 11.2977 11.4122 11.6592 11.7799 11.8703 11.9266 13.1201 13.1374 13.4833 13.5070 13.9137 13.9236 14.5975 14.6172 k = 0.5724-0.0418 0.4942 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5746 -20.5737 -20.5703 -20.5700 -8.7206 -8.7189 -8.7135 -8.7057 -7.7290 -7.7249 -7.6761 -7.6681 -7.6644 -7.6597 5.2118 5.2168 8.2988 8.3814 9.4959 9.5832 10.7009 10.7296 10.7824 10.8449 11.0840 11.1203 11.2907 11.4070 11.6557 11.7763 11.8527 11.9159 13.1176 13.1361 13.4833 13.5084 13.9242 13.9352 14.5616 14.5811 k = 0.5658-0.0380 0.5049 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5745 -20.5736 -20.5704 -20.5700 -8.7206 -8.7187 -8.7138 -8.7055 -7.7290 -7.7249 -7.6762 -7.6679 -7.6645 -7.6596 5.2169 5.2220 8.3161 8.4039 9.4686 9.5600 10.7102 10.7355 10.7790 10.8475 11.0853 11.1208 11.2831 11.4015 11.6516 11.7720 11.8353 11.9050 13.1153 13.1347 13.4829 13.5091 13.9361 13.9481 14.5262 14.5453 k = 0.5592-0.0342 0.5157 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5745 -20.5736 -20.5704 -20.5701 -8.7206 -8.7186 -8.7142 -8.7053 -7.7291 -7.7249 -7.6763 -7.6678 -7.6645 -7.6596 5.2223 5.2275 8.3347 8.4283 9.4389 9.5352 10.7181 10.7397 10.7787 10.8508 11.0865 11.1212 11.2753 11.3960 11.6467 11.7668 11.8189 11.8942 13.1132 13.1333 13.4820 13.5091 13.9492 13.9622 14.4919 14.5104 k = 0.5526-0.0304 0.5264 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5735 -20.5705 -20.5702 -8.7206 -8.7185 -8.7146 -8.7052 -7.7291 -7.7248 -7.6764 -7.6677 -7.6646 -7.6596 5.2279 5.2331 8.3540 8.4543 9.4072 9.5094 10.7239 10.7412 10.7827 10.8548 11.0876 11.1215 11.2674 11.3906 11.6411 11.7608 11.8040 11.8841 13.1113 13.1319 13.4808 13.5085 13.9632 13.9771 14.4593 14.4771 k = 0.5461-0.0266 0.5372 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5735 -20.5706 -20.5703 -8.7205 -8.7183 -8.7149 -8.7050 -7.7292 -7.7248 -7.6765 -7.6676 -7.6648 -7.6595 5.2335 5.2387 8.3737 8.4816 9.3740 9.4831 10.7265 10.7411 10.7907 10.8594 11.0884 11.1218 11.2597 11.3855 11.6349 11.7538 11.7912 11.8749 13.1097 13.1306 13.4793 13.5073 13.9778 13.9924 14.4287 14.4459 k = 0.5395-0.0228 0.5479 ( 4265 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5744 -20.5734 -20.5706 -20.5703 -8.7205 -8.7182 -8.7152 -8.7049 -7.7292 -7.7248 -7.6766 -7.6674 -7.6649 -7.6595 5.2389 5.2441 8.3932 8.5093 9.3401 9.4570 10.7260 10.7411 10.8010 10.8642 11.0890 11.1219 11.2525 11.3809 11.6280 11.7463 11.7806 11.8669 13.1083 13.1294 13.4776 13.5059 13.9923 14.0077 14.4009 14.4173 k = 0.5329-0.0190 0.5587 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5734 -20.5707 -20.5704 -8.7205 -8.7180 -8.7155 -8.7048 -7.7293 -7.7248 -7.6767 -7.6673 -7.6650 -7.6594 5.2440 5.2493 8.4118 8.5369 9.3065 9.4320 10.7235 10.7414 10.8122 10.8689 11.0893 11.1220 11.2460 11.3769 11.6210 11.7387 11.7722 11.8603 13.1071 13.1284 13.4759 13.5042 14.0062 14.0223 14.3761 14.3919 k = 0.5263-0.0152 0.5694 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7205 -8.7179 -8.7158 -8.7047 -7.7293 -7.7248 -7.6768 -7.6672 -7.6651 -7.6594 5.2487 5.2540 8.4288 8.5632 9.2745 9.4091 10.7204 10.7415 10.8232 10.8730 11.0894 11.1221 11.2405 11.3736 11.6141 11.7316 11.7657 11.8550 13.1061 13.1275 13.4743 13.5025 14.0187 14.0355 14.3551 14.3702 k = 0.5197-0.0114 0.5801 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7204 -8.7178 -8.7160 -8.7047 -7.7293 -7.7247 -7.6768 -7.6671 -7.6652 -7.6594 5.2527 5.2581 8.4434 8.5868 9.2458 9.3894 10.7175 10.7413 10.8331 10.8760 11.0894 11.1220 11.2363 11.3712 11.6079 11.7256 11.7608 11.8510 13.1054 13.1268 13.4729 13.5009 14.0293 14.0467 14.3384 14.3527 k = 0.5132-0.0076 0.5909 ( 4263 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5708 -20.5705 -8.7204 -8.7177 -8.7162 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6652 -7.6593 5.2559 5.2612 8.4547 8.6059 9.2226 9.3740 10.7152 10.7411 10.8412 10.8779 11.0893 11.1220 11.2333 11.3696 11.6028 11.7210 11.7573 11.8482 13.1049 13.1264 13.4718 13.4997 14.0371 14.0550 14.3263 14.3400 k = 0.5066-0.0038 0.6016 ( 4269 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2579 5.2633 8.4619 8.6186 9.2072 9.3640 10.7137 10.7408 10.8466 10.8787 11.0892 11.1220 11.2317 11.3687 11.5994 11.7181 11.7552 11.8466 13.1045 13.1261 13.4712 13.4989 14.0418 14.0600 14.3193 14.3325 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2587 5.2640 8.4644 8.6231 9.2016 9.3606 10.7132 10.7407 10.8485 10.8789 11.0892 11.1219 11.2312 11.3685 11.5982 11.7171 11.7546 11.8460 13.1044 13.1260 13.4709 13.4986 14.0432 14.0616 14.3170 14.3301 k = 0.5000 0.0000 0.6124 ( 4284 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2587 5.2640 8.4644 8.6231 9.2016 9.3606 10.7132 10.7407 10.8485 10.8789 11.0892 11.1219 11.2312 11.3685 11.5982 11.7171 11.7546 11.8460 13.1044 13.1260 13.4709 13.4986 14.0432 14.0616 14.3170 14.3301 k = 0.5000 0.0076 0.6016 ( 4270 PWs) bands (ev): -44.4814 -44.4813 -21.2230 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7176 -8.7163 -8.7046 -7.7293 -7.7247 -7.6769 -7.6670 -7.6653 -7.6593 5.2571 5.2625 8.4652 8.6237 9.2014 9.3603 10.7141 10.7408 10.8446 10.8784 11.0901 11.1229 11.2321 11.3691 11.5995 11.7182 11.7552 11.8465 13.1049 13.1264 13.4710 13.4988 14.0411 14.0592 14.3212 14.3346 k = 0.5000 0.0152 0.5909 ( 4268 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5732 -20.5708 -20.5706 -8.7204 -8.7177 -8.7161 -8.7046 -7.7293 -7.7247 -7.6769 -7.6671 -7.6651 -7.6593 5.2526 5.2579 8.4673 8.6256 9.2007 9.3597 10.7166 10.7410 10.8344 10.8762 11.0929 11.1254 11.2347 11.3710 11.6035 11.7213 11.7573 11.8477 13.1063 13.1278 13.4712 13.4994 14.0348 14.0524 14.3335 14.3478 k = 0.5000 0.0228 0.5801 ( 4264 PWs) bands (ev): -44.4814 -44.4813 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7205 -8.7178 -8.7159 -8.7046 -7.7293 -7.7247 -7.6768 -7.6673 -7.6650 -7.6594 5.2450 5.2504 8.4705 8.6283 9.2001 9.3589 10.7204 10.7410 10.8201 10.8718 11.0975 11.1291 11.2388 11.3736 11.6102 11.7265 11.7605 11.8497 13.1086 13.1300 13.4715 13.5005 14.0252 14.0421 14.3533 14.3687 k = 0.5000 0.0304 0.5694 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7205 -8.7179 -8.7157 -8.7047 -7.7292 -7.7247 -7.6768 -7.6675 -7.6648 -7.6594 5.2346 5.2400 8.4744 8.6312 9.2001 9.3584 10.7244 10.7402 10.8040 10.8661 11.1033 11.1336 11.2439 11.3767 11.6195 11.7334 11.7650 11.8525 13.1119 13.1331 13.4719 13.5017 14.0131 14.0292 14.3797 14.3964 k = 0.5000 0.0380 0.5587 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5743 -20.5733 -20.5707 -20.5705 -8.7206 -8.7179 -8.7154 -8.7048 -7.7292 -7.7246 -7.6768 -7.6678 -7.6646 -7.6594 5.2215 5.2269 8.4786 8.6334 9.2017 9.3588 10.7256 10.7383 10.7893 10.8607 11.1101 11.1386 11.2498 11.3797 11.6313 11.7419 11.7705 11.8558 13.1161 13.1372 13.4724 13.5031 13.9994 14.0147 14.4122 14.4301 k = 0.5000 0.0456 0.5479 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2220 -20.5743 -20.5733 -20.5706 -20.5704 -8.7207 -8.7180 -8.7151 -8.7048 -7.7291 -7.7246 -7.6767 -7.6680 -7.6644 -7.6595 5.2059 5.2112 8.4822 8.6341 9.2060 9.3607 10.7203 10.7330 10.7817 10.8576 11.1175 11.1439 11.2560 11.3822 11.6451 11.7518 11.7768 11.8597 13.1213 13.1422 13.4728 13.5045 13.9845 13.9991 14.4502 14.4694 k = 0.5000 0.0532 0.5372 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2229 -21.2219 -20.5743 -20.5733 -20.5706 -20.5704 -8.7207 -8.7180 -8.7148 -8.7049 -7.7290 -7.7246 -7.6766 -7.6683 -7.6642 -7.6596 5.1879 5.1932 8.4848 8.6322 9.2140 9.3649 10.7080 10.7211 10.7847 10.8579 11.1251 11.1495 11.2623 11.3842 11.6606 11.7625 11.7839 11.8639 13.1276 13.1481 13.4733 13.5058 13.9688 13.9829 14.4935 14.5140 k = 0.5000 0.0608 0.5264 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5743 -20.5733 -20.5705 -20.5703 -8.7208 -8.7181 -8.7144 -8.7051 -7.7289 -7.7245 -7.6765 -7.6685 -7.6640 -7.6596 5.1678 5.1731 8.4855 8.6268 9.2267 9.3721 10.6902 10.7052 10.7948 10.8619 11.1327 11.1553 11.2685 11.3855 11.6772 11.7738 11.7916 11.8684 13.1348 13.1550 13.4735 13.5068 13.9526 13.9663 14.5419 14.5638 k = 0.5000 0.0684 0.5157 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5743 -20.5734 -20.5704 -20.5702 -8.7208 -8.7181 -8.7141 -8.7052 -7.7287 -7.7245 -7.6764 -7.6688 -7.6638 -7.6597 5.1458 5.1511 8.4836 8.6173 9.2447 9.3830 10.6695 10.6872 10.8086 10.8692 11.1404 11.1614 11.2744 11.3861 11.6945 11.7852 11.7998 11.8729 13.1430 13.1627 13.4736 13.5074 13.9360 13.9494 14.5952 14.6187 k = 0.5000 0.0760 0.5049 ( 4272 PWs) bands (ev): -44.4815 -44.4814 -21.2228 -21.2219 -20.5743 -20.5734 -20.5703 -20.5701 -8.7209 -8.7181 -8.7137 -8.7053 -7.7286 -7.7245 -7.6763 -7.6690 -7.6637 -7.6598 5.1223 5.1275 8.4787 8.6035 9.2683 9.3982 10.6477 10.6677 10.8246 10.8793 11.1481 11.1678 11.2801 11.3863 11.7119 11.7962 11.8085 11.8774 13.1521 13.1714 13.4733 13.5076 13.9191 13.9324 14.6535 14.6787 k = 0.5000 0.0836 0.4942 ( 4276 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5743 -20.5735 -20.5702 -20.5700 -8.7209 -8.7181 -8.7134 -8.7055 -7.7284 -7.7244 -7.6762 -7.6693 -7.6635 -7.6599 5.0973 5.1025 8.4705 8.5853 9.2975 9.4179 10.6255 10.6474 10.8422 10.8914 11.1559 11.1743 11.2854 11.3860 11.7290 11.8063 11.8176 11.8817 13.1621 13.1810 13.4727 13.5072 13.9019 13.9154 14.7165 14.7437 k = 0.5000 0.0912 0.4835 ( 4284 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5743 -20.5735 -20.5701 -20.5700 -8.7209 -8.7180 -8.7130 -8.7056 -7.7283 -7.7244 -7.6761 -7.6695 -7.6634 -7.6600 5.0713 5.0764 8.4587 8.5633 9.3319 9.4424 10.6035 10.6266 10.8610 10.9053 11.1637 11.1811 11.2904 11.3855 11.7456 11.8153 11.8270 11.8856 13.1729 13.1913 13.4716 13.5061 13.8846 13.8982 14.7842 14.8137 k = 0.5000 0.0988 0.4727 ( 4282 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5743 -20.5735 -20.5700 -20.5698 -8.7209 -8.7180 -8.7127 -8.7058 -7.7281 -7.7243 -7.6759 -7.6698 -7.6632 -7.6601 5.0443 5.0494 8.4435 8.5378 9.3710 9.4714 10.5820 10.6058 10.8808 10.9206 11.1717 11.1880 11.2953 11.3850 11.7613 11.8233 11.8361 11.8892 13.1845 13.2024 13.4701 13.5045 13.8671 13.8811 14.8565 14.8885 k = 0.5000 0.1064 0.4620 ( 4282 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2218 -20.5743 -20.5736 -20.5699 -20.5697 -8.7209 -8.7180 -8.7124 -8.7059 -7.7279 -7.7243 -7.6758 -7.6700 -7.6631 -7.6602 5.0168 5.0217 8.4251 8.5095 9.4142 9.5047 10.5610 10.5852 10.9014 10.9370 11.1798 11.1950 11.2999 11.3844 11.7760 11.8304 11.8445 11.8923 13.1967 13.2141 13.4680 13.5021 13.8495 13.8640 14.9332 14.9679 k = 0.5000 0.1140 0.4512 ( 4290 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2217 -20.5743 -20.5737 -20.5697 -20.5696 -8.7208 -8.7179 -8.7121 -8.7061 -7.7278 -7.7242 -7.6756 -7.6702 -7.6629 -7.6603 4.9888 4.9936 8.4038 8.4790 9.4606 9.5419 10.5407 10.5649 10.9226 10.9544 11.1882 11.2022 11.3045 11.3838 11.7895 11.8367 11.8519 11.8950 13.2094 13.2264 13.4653 13.4992 13.8318 13.8469 15.0139 15.0515 k = 0.5000 0.1215 0.4405 ( 4284 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5744 -20.5737 -20.5696 -20.5695 -8.7208 -8.7179 -8.7117 -8.7063 -7.7276 -7.7242 -7.6755 -7.6705 -7.6628 -7.6604 4.9606 4.9653 8.3802 8.4469 9.5096 9.5824 10.5212 10.5451 10.9444 10.9726 11.1967 11.2095 11.3091 11.3835 11.8017 11.8421 11.8580 11.8973 13.2225 13.2391 13.4622 13.4956 13.8142 13.8299 15.0986 15.1389 k = 0.5000 0.1291 0.4297 ( 4282 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5744 -20.5738 -20.5695 -20.5694 -8.7207 -8.7178 -8.7114 -8.7065 -7.7274 -7.7241 -7.6753 -7.6707 -7.6627 -7.6606 4.9325 4.9371 8.3547 8.4137 9.5606 9.6256 10.5025 10.5260 10.9666 10.9914 11.2054 11.2169 11.3137 11.3834 11.8125 11.8467 11.8627 11.8993 13.2357 13.2521 13.4585 13.4914 13.7966 13.8130 15.1866 15.2298 k = 0.5000 0.1367 0.4190 ( 4280 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2217 -20.5744 -20.5738 -20.5693 -20.5692 -8.7206 -8.7178 -8.7112 -8.7067 -7.7272 -7.7241 -7.6752 -7.6708 -7.6626 -7.6607 4.9045 4.9090 8.3277 8.3799 9.6130 9.6708 10.4847 10.5075 10.9891 11.0109 11.2143 11.2245 11.3183 11.3835 11.8219 11.8506 11.8659 11.9009 13.2491 13.2654 13.4544 13.4867 13.7791 13.7963 15.2778 15.3235 k = 0.5000 0.1443 0.4082 ( 4270 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2216 -20.5744 -20.5739 -20.5692 -20.5691 -8.7205 -8.7177 -8.7109 -8.7069 -7.7270 -7.7240 -7.6750 -7.6710 -7.6626 -7.6608 4.8770 4.8812 8.2998 8.3458 9.6662 9.7176 10.4677 10.4898 11.0116 11.0308 11.2234 11.2323 11.3232 11.3840 11.8297 11.8537 11.8676 11.9023 13.2623 13.2788 13.4499 13.4816 13.7617 13.7798 15.3716 15.4195 k = 0.5000 0.1519 0.3975 ( 4276 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5690 -20.5690 -8.7204 -8.7176 -8.7106 -8.7071 -7.7268 -7.7240 -7.6748 -7.6712 -7.6625 -7.6610 4.8499 4.8540 8.2714 8.3120 9.7196 9.7653 10.4516 10.4728 11.0339 11.0511 11.2326 11.2406 11.3281 11.3849 11.8357 11.8562 11.8681 11.9034 13.2753 13.2922 13.4451 13.4762 13.7447 13.7637 15.4676 15.5169 k = 0.5000 0.1595 0.3868 ( 4284 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5689 -20.5688 -8.7203 -8.7176 -8.7104 -8.7073 -7.7266 -7.7239 -7.6746 -7.6713 -7.6624 -7.6611 4.8236 4.8276 8.2427 8.2786 9.7728 9.8133 10.4364 10.4567 11.0559 11.0717 11.2418 11.2493 11.3333 11.3862 11.8399 11.8583 11.8675 11.9040 13.2879 13.3054 13.4400 13.4704 13.7280 13.7479 15.5654 15.6153 k = 0.5000 0.1671 0.3760 ( 4290 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2216 -20.5745 -20.5741 -20.5688 -20.5687 -8.7201 -8.7175 -8.7102 -8.7075 -7.7264 -7.7239 -7.6745 -7.6715 -7.6624 -7.6612 4.7982 4.8019 8.2143 8.2459 9.8252 9.8611 10.4222 10.4413 11.0772 11.0925 11.2510 11.2588 11.3386 11.3879 11.8422 11.8597 11.8663 11.9041 13.3000 13.3182 13.4349 13.4645 13.7118 13.7325 15.6646 15.7139 k = 0.5000 0.1747 0.3653 ( 4290 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2215 -20.5746 -20.5741 -20.5686 -20.5686 -8.7200 -8.7174 -8.7100 -8.7077 -7.7262 -7.7238 -7.6743 -7.6716 -7.6624 -7.6614 4.7737 4.7772 8.1864 8.2142 9.8764 9.9081 10.4089 10.4269 11.0976 11.1131 11.2603 11.2691 11.3442 11.3901 11.8429 11.8597 11.8652 11.9034 13.3114 13.3306 13.4297 13.4584 13.6961 13.7177 15.7648 15.8123 k = 0.5000 0.1823 0.3545 ( 4290 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5742 -20.5685 -20.5685 -8.7198 -8.7174 -8.7098 -8.7079 -7.7260 -7.7238 -7.6741 -7.6717 -7.6623 -7.6615 4.7503 4.7536 8.1592 8.1838 9.9260 9.9540 10.3965 10.4133 11.1169 11.1332 11.2701 11.2800 11.3500 11.3929 11.8423 11.8579 11.8649 11.9020 13.3221 13.3424 13.4246 13.4524 13.6811 13.7035 15.8658 15.9103 k = 0.5000 0.1899 0.3438 ( 4292 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5743 -20.5684 -20.5683 -8.7196 -8.7173 -8.7097 -8.7081 -7.7258 -7.7238 -7.6739 -7.6718 -7.6623 -7.6616 4.7280 4.7311 8.1331 8.1547 9.9736 9.9983 10.3851 10.4006 11.1350 11.1523 11.2806 11.2915 11.3561 11.3965 11.8407 11.8548 11.8645 11.8998 13.3318 13.3533 13.4197 13.4465 13.6670 13.6900 15.9671 16.0079 k = 0.5000 0.1975 0.3330 ( 4286 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5746 -20.5743 -20.5682 -20.5682 -8.7195 -8.7172 -8.7096 -8.7082 -7.7256 -7.7238 -7.6738 -7.6719 -7.6623 -7.6617 4.7071 4.7100 8.1082 8.1272 10.0188 10.0406 10.3747 10.3889 11.1517 11.1698 11.2921 11.3033 11.3626 11.4009 11.8385 11.8512 11.8634 11.8966 13.3406 13.3633 13.4151 13.4407 13.6538 13.6773 16.0687 16.1051 k = 0.5000 0.2051 0.3223 ( 4294 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5747 -20.5744 -20.5681 -20.5681 -8.7193 -8.7172 -8.7094 -8.7084 -7.7254 -7.7238 -7.6736 -7.6720 -7.6623 -7.6619 4.6876 4.6902 8.0848 8.1013 10.0613 10.0804 10.3653 10.3782 11.1669 11.1854 11.3045 11.3152 11.3697 11.4063 11.8358 11.8473 11.8614 11.8926 13.3483 13.3721 13.4110 13.4351 13.6418 13.6655 16.1702 16.2022 k = 0.5000 0.2127 0.3116 ( 4284 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5744 -20.5680 -20.5680 -8.7191 -8.7171 -8.7093 -8.7085 -7.7253 -7.7238 -7.6734 -7.6720 -7.6623 -7.6620 4.6695 4.6719 8.0629 8.0773 10.1007 10.1175 10.3570 10.3684 11.1805 11.1987 11.3176 11.3267 11.3777 11.4131 11.8328 11.8433 11.8585 11.8878 13.3549 13.3795 13.4076 13.4300 13.6310 13.6546 16.2713 16.2991 k = 0.5000 0.2203 0.3008 ( 4282 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5745 -20.5679 -20.5679 -8.7189 -8.7171 -8.7093 -8.7087 -7.7251 -7.7238 -7.6733 -7.6721 -7.6623 -7.6621 4.6530 4.6552 8.0428 8.0553 10.1367 10.1515 10.3498 10.3598 11.1926 11.2098 11.3305 11.3373 11.3871 11.4214 11.8296 11.8391 11.8549 11.8821 13.3603 13.3853 13.4050 13.4252 13.6215 13.6447 16.3715 16.3956 k = 0.5000 0.2279 0.2901 ( 4286 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5747 -20.5745 -20.5678 -20.5678 -8.7187 -8.7171 -8.7092 -8.7088 -7.7250 -7.7238 -7.6731 -7.6721 -7.6624 -7.6622 4.6380 4.6400 8.0245 8.0353 10.1691 10.1820 10.3439 10.3523 11.2031 11.2188 11.3422 11.3466 11.3984 11.4313 11.8264 11.8349 11.8507 11.8758 13.3646 13.3891 13.4036 13.4208 13.6136 13.6358 16.4702 16.4913 k = 0.5000 0.2355 0.2793 ( 4280 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5677 -20.5677 -8.7185 -8.7171 -8.7092 -8.7089 -7.7248 -7.7238 -7.6730 -7.6722 -7.6624 -7.6622 4.6247 4.6264 8.0082 8.0173 10.1975 10.2087 10.3393 10.3462 11.2122 11.2260 11.3519 11.3545 11.4118 11.4424 11.8232 11.8307 11.8462 11.8689 13.3679 13.3906 13.4037 13.4170 13.6071 13.6279 16.5663 16.5853 k = 0.5000 0.2431 0.2686 ( 4282 PWs) bands (ev): -44.4817 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5676 -20.5676 -8.7184 -8.7171 -8.7091 -8.7089 -7.7247 -7.7238 -7.6729 -7.6722 -7.6624 -7.6623 4.6131 4.6146 7.9940 8.0016 10.2216 10.2313 10.3363 10.3415 11.2199 11.2317 11.3595 11.3608 11.4267 11.4543 11.8202 11.8263 11.8417 11.8618 13.3704 13.3905 13.4046 13.4137 13.6022 13.6211 16.6586 16.6758 k = 0.5000 0.2507 0.2578 ( 4286 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5676 -20.5676 -8.7182 -8.7171 -8.7091 -8.7090 -7.7246 -7.7238 -7.6728 -7.6722 -7.6624 -7.6624 4.6032 4.6045 7.9819 7.9881 10.2412 10.2494 10.3350 10.3386 11.2263 11.2361 11.3652 11.3658 11.4422 11.4661 11.8173 11.8219 11.8376 11.8546 13.3723 13.3895 13.4055 13.4110 13.5986 13.6151 16.7449 16.7604 k = 0.5000 0.2583 0.2471 ( 4288 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7180 -8.7171 -8.7091 -8.7091 -7.7245 -7.7239 -7.6727 -7.6723 -7.6624 -7.6624 4.5952 4.5961 7.9721 7.9769 10.2560 10.2627 10.3355 10.3375 11.2316 11.2393 11.3694 11.3696 11.4571 11.4769 11.8145 11.8175 11.8343 11.8479 13.3739 13.3881 13.4061 13.4090 13.5963 13.6100 16.8225 16.8357 k = 0.5000 0.2659 0.2364 ( 4298 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7179 -8.7172 -8.7091 -8.7091 -7.7243 -7.7239 -7.6726 -7.6723 -7.6625 -7.6625 4.5889 4.5896 7.9644 7.9680 10.2664 10.2715 10.3372 10.3382 11.2359 11.2416 11.3724 11.3725 11.4705 11.4858 11.8121 11.8136 11.8319 11.8419 13.3755 13.3864 13.4062 13.4075 13.5952 13.6058 16.8875 16.8976 k = 0.5000 0.2735 0.2256 ( 4296 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5674 -20.5674 -8.7177 -8.7173 -8.7091 -8.7091 -7.7243 -7.7240 -7.6725 -7.6723 -7.6625 -7.6625 4.5844 4.5849 7.9591 7.9615 10.2729 10.2764 10.3396 10.3399 11.2391 11.2429 11.3744 11.3745 11.4816 11.4920 11.8099 11.8105 11.8306 11.8370 13.3771 13.3845 13.4062 13.4065 13.5951 13.6023 16.9363 16.9428 k = 0.5000 0.2811 0.2149 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5748 -20.5674 -20.5674 -8.7176 -8.7174 -8.7091 -8.7091 -7.7242 -7.7240 -7.6725 -7.6724 -7.6625 -7.6625 4.5817 4.5820 7.9562 7.9574 10.2767 10.2785 10.3414 10.3414 11.2414 11.2432 11.3756 11.3756 11.4896 11.4949 11.8084 11.8085 11.8303 11.8334 13.3788 13.3826 13.4060 13.4060 13.5958 13.5994 16.9664 16.9696 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2216 -20.5748 -20.5748 -20.5674 -20.5674 -8.7175 -8.7175 -8.7091 -8.7091 -7.7241 -7.7241 -7.6724 -7.6724 -7.6625 -7.6625 4.5809 4.5809 7.9556 7.9556 10.2785 10.2785 10.3421 10.3421 11.2427 11.2427 11.3760 11.3760 11.4942 11.4942 11.8079 11.8079 11.8312 11.8312 13.3806 13.3806 13.4059 13.4059 13.5973 13.5973 16.9775 16.9775 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2216 -20.5748 -20.5748 -20.5674 -20.5674 -8.7175 -8.7175 -8.7091 -8.7091 -7.7241 -7.7241 -7.6724 -7.6724 -7.6625 -7.6625 4.5809 4.5809 7.9556 7.9556 10.2785 10.2785 10.3421 10.3421 11.2427 11.2427 11.3760 11.3760 11.4942 11.4942 11.8079 11.8079 11.8312 11.8312 13.3806 13.3806 13.4059 13.4059 13.5973 13.5973 16.9775 16.9775 k = 0.4962 0.2865 0.2165 ( 4314 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5748 -20.5674 -20.5674 -8.7176 -8.7174 -8.7091 -8.7091 -7.7242 -7.7240 -7.6725 -7.6724 -7.6625 -7.6625 4.5817 4.5820 7.9562 7.9574 10.2767 10.2785 10.3414 10.3414 11.2414 11.2432 11.3756 11.3756 11.4896 11.4949 11.8084 11.8085 11.8303 11.8334 13.3788 13.3826 13.4060 13.4060 13.5958 13.5994 16.9665 16.9696 k = 0.4924 0.2843 0.2289 ( 4292 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5674 -20.5674 -8.7177 -8.7173 -8.7091 -8.7091 -7.7243 -7.7240 -7.6725 -7.6723 -7.6625 -7.6625 4.5844 4.5849 7.9591 7.9615 10.2730 10.2765 10.3397 10.3398 11.2391 11.2429 11.3745 11.3745 11.4816 11.4920 11.8100 11.8104 11.8306 11.8369 13.3771 13.3845 13.4063 13.4064 13.5951 13.6022 16.9365 16.9430 k = 0.4886 0.2821 0.2412 ( 4296 PWs) bands (ev): -44.4817 -44.4817 -21.2216 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7179 -8.7172 -8.7091 -8.7091 -7.7243 -7.7239 -7.6726 -7.6723 -7.6625 -7.6624 4.5888 4.5896 7.9644 7.9680 10.2665 10.2715 10.3375 10.3379 11.2359 11.2416 11.3725 11.3725 11.4706 11.4858 11.8121 11.8135 11.8319 11.8418 13.3755 13.3864 13.4068 13.4069 13.5952 13.6057 16.8877 16.8976 k = 0.4848 0.2799 0.2536 ( 4296 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5675 -20.5675 -8.7180 -8.7171 -8.7091 -8.7091 -7.7245 -7.7239 -7.6727 -7.6723 -7.6624 -7.6624 4.5951 4.5961 7.9720 7.9768 10.2563 10.2627 10.3360 10.3370 11.2317 11.2394 11.3695 11.3695 11.4573 11.4770 11.8147 11.8173 11.8343 11.8478 13.3740 13.3881 13.4073 13.4075 13.5964 13.6100 16.8220 16.8350 k = 0.4811 0.2777 0.2660 ( 4292 PWs) bands (ev): -44.4817 -44.4816 -21.2217 -21.2215 -20.5748 -20.5747 -20.5676 -20.5676 -8.7182 -8.7171 -8.7091 -8.7090 -7.7246 -7.7238 -7.6728 -7.6722 -7.6624 -7.6624 4.6031 4.6044 7.9818 7.9879 10.2417 10.2493 10.3358 10.3378 11.2264 11.2361 11.3655 11.3656 11.4424 11.4662 11.8176 11.8216 11.8376 11.8545 13.3726 13.3896 13.4080 13.4081 13.5987 13.6151 16.7425 16.7579 k = 0.4773 0.2756 0.2784 ( 4290 PWs) bands (ev): -44.4817 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5676 -20.5676 -8.7184 -8.7171 -8.7091 -8.7090 -7.7247 -7.7238 -7.6729 -7.6722 -7.6624 -7.6623 4.6129 4.6144 7.9938 8.0014 10.2224 10.2312 10.3373 10.3404 11.2200 11.2318 11.3600 11.3604 11.4271 11.4543 11.8207 11.8260 11.8416 11.8615 13.3712 13.3908 13.4083 13.4086 13.6023 13.6210 16.6531 16.6700 k = 0.4735 0.2734 0.2907 ( 4290 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5748 -20.5746 -20.5677 -20.5677 -8.7185 -8.7171 -8.7091 -8.7090 -7.7248 -7.7238 -7.6730 -7.6722 -7.6624 -7.6622 4.6245 4.6262 8.0079 8.0170 10.1986 10.2087 10.3403 10.3448 11.2124 11.2261 11.3527 11.3539 11.4124 11.4422 11.8241 11.8304 11.8459 11.8684 13.3695 13.3919 13.4079 13.4092 13.6076 13.6280 16.5567 16.5746 k = 0.4697 0.2712 0.3031 ( 4288 PWs) bands (ev): -44.4816 -44.4816 -21.2218 -21.2215 -20.5747 -20.5745 -20.5678 -20.5678 -8.7187 -8.7171 -8.7091 -8.7089 -7.7250 -7.7238 -7.6731 -7.6721 -7.6624 -7.6621 4.6377 4.6397 8.0241 8.0348 10.1705 10.1821 10.3449 10.3507 11.2035 11.2188 11.3433 11.3459 11.3994 11.4307 11.8279 11.8349 11.8502 11.8750 13.3675 13.3927 13.4066 13.4097 13.6145 13.6361 16.4558 16.4742 k = 0.4659 0.2690 0.3155 ( 4284 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5745 -20.5679 -20.5679 -8.7189 -8.7171 -8.7091 -8.7088 -7.7251 -7.7238 -7.6733 -7.6721 -7.6624 -7.6620 4.6526 4.6548 8.0422 8.0547 10.1385 10.1518 10.3507 10.3579 11.1931 11.2097 11.3318 11.3364 11.3887 11.4203 11.8318 11.8395 11.8541 11.8811 13.3650 13.3933 13.4044 13.4102 13.6233 13.6454 16.3522 16.3708 k = 0.4621 0.2668 0.3278 ( 4289 PWs) bands (ev): -44.4816 -44.4816 -21.2219 -21.2215 -20.5747 -20.5744 -20.5680 -20.5680 -8.7191 -8.7171 -8.7091 -8.7088 -7.7253 -7.7238 -7.6734 -7.6720 -7.6624 -7.6619 4.6690 4.6715 8.0622 8.0765 10.1028 10.1182 10.3576 10.3661 11.1812 11.1985 11.3191 11.3255 11.3800 11.4113 11.8360 11.8441 11.8573 11.8864 13.3619 13.3932 13.4014 13.4106 13.6339 13.6559 16.2472 16.2657 k = 0.4583 0.2646 0.3402 ( 4286 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5747 -20.5744 -20.5681 -20.5681 -8.7193 -8.7172 -8.7091 -8.7087 -7.7254 -7.7238 -7.6736 -7.6720 -7.6624 -7.6618 4.6870 4.6897 8.0838 8.1003 10.0638 10.0816 10.3656 10.3754 11.1679 11.1849 11.3063 11.3137 11.3728 11.4038 11.8404 11.8487 11.8598 11.8908 13.3580 13.3912 13.3991 13.4110 13.6462 13.6677 16.1420 16.1601 k = 0.4545 0.2624 0.3526 ( 4292 PWs) bands (ev): -44.4816 -44.4816 -21.2220 -21.2215 -20.5747 -20.5743 -20.5682 -20.5682 -8.7194 -8.7173 -8.7091 -8.7086 -7.7256 -7.7238 -7.6737 -7.6719 -7.6624 -7.6617 4.7064 4.7093 8.1069 8.1257 10.0217 10.0423 10.3744 10.3857 11.1530 11.1690 11.2941 11.3013 11.3667 11.3976 11.8448 11.8528 11.8620 11.8943 13.3531 13.3859 13.3986 13.4114 13.6602 13.6807 16.0374 16.0550 k = 0.4508 0.2602 0.3649 ( 4292 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5743 -20.5684 -20.5683 -8.7196 -8.7174 -8.7092 -8.7085 -7.7258 -7.7238 -7.6739 -7.6718 -7.6624 -7.6615 4.7272 4.7303 8.1314 8.1527 9.9770 10.0007 10.3842 10.3968 11.1369 11.1509 11.2830 11.2888 11.3612 11.3926 11.8493 11.8551 11.8649 11.8970 13.3472 13.3784 13.3990 13.4119 13.6757 13.6948 15.9341 15.9510 k = 0.4470 0.2581 0.3773 ( 4290 PWs) bands (ev): -44.4816 -44.4816 -21.2221 -21.2215 -20.5746 -20.5742 -20.5685 -20.5684 -8.7198 -8.7175 -8.7092 -8.7084 -7.7260 -7.7238 -7.6740 -7.6717 -7.6624 -7.6614 4.7493 4.7526 8.1569 8.1811 9.9301 9.9573 10.3947 10.4087 11.1195 11.1312 11.2730 11.2764 11.3563 11.3885 11.8535 11.8547 11.8693 11.8990 13.3403 13.3694 13.3998 13.4126 13.6924 13.7100 15.8328 15.8490 k = 0.4432 0.2559 0.3897 ( 4292 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2215 -20.5746 -20.5742 -20.5686 -20.5685 -8.7199 -8.7176 -8.7093 -8.7083 -7.7262 -7.7239 -7.6742 -7.6716 -7.6625 -7.6613 4.7725 4.7761 8.1831 8.2105 9.8813 9.9125 10.4059 10.4214 11.1012 11.1103 11.2638 11.2642 11.3519 11.3852 11.8522 11.8572 11.8746 11.9004 13.3324 13.3592 13.4008 13.4133 13.7102 13.7261 15.7340 15.7494 k = 0.4394 0.2537 0.4021 ( 4291 PWs) bands (ev): -44.4816 -44.4815 -21.2222 -21.2216 -20.5745 -20.5741 -20.5688 -20.5687 -8.7201 -8.7177 -8.7093 -8.7082 -7.7264 -7.7239 -7.6744 -7.6715 -7.6625 -7.6611 4.7969 4.8006 8.2098 8.2408 9.8313 9.8669 10.4179 10.4347 11.0822 11.0886 11.2522 11.2553 11.3478 11.3828 11.8480 11.8602 11.8804 11.9017 13.3234 13.3479 13.4018 13.4143 13.7288 13.7430 15.6382 15.6528 k = 0.4356 0.2515 0.4144 ( 4285 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5689 -20.5688 -8.7202 -8.7178 -8.7094 -8.7081 -7.7265 -7.7239 -7.6745 -7.6714 -7.6626 -7.6610 4.8221 4.8260 8.2365 8.2714 9.7805 9.8210 10.4304 10.4488 11.0628 11.0665 11.2406 11.2471 11.3443 11.3812 11.8424 11.8618 11.8863 11.9032 13.3134 13.3357 13.4031 13.4155 13.7480 13.7605 15.5459 15.5595 k = 0.4318 0.2493 0.4268 ( 4283 PWs) bands (ev): -44.4816 -44.4815 -21.2223 -21.2216 -20.5745 -20.5740 -20.5691 -20.5689 -8.7204 -8.7179 -8.7095 -8.7080 -7.7267 -7.7240 -7.6747 -7.6713 -7.6627 -7.6608 4.8482 4.8523 8.2628 8.3020 9.7297 9.7755 10.4435 10.4634 11.0432 11.0443 11.2291 11.2392 11.3412 11.3803 11.8353 11.8618 11.8924 11.9053 13.3026 13.3227 13.4045 13.4169 13.7676 13.7783 15.4573 15.4700 k = 0.4280 0.2471 0.4392 ( 4280 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2216 -20.5745 -20.5739 -20.5692 -20.5690 -8.7205 -8.7180 -8.7096 -8.7079 -7.7269 -7.7240 -7.6748 -7.6711 -7.6628 -7.6607 4.8749 4.8792 8.2879 8.3320 9.6797 9.7313 10.4571 10.4785 11.0223 11.0236 11.2178 11.2314 11.3386 11.3803 11.8269 11.8599 11.8984 11.9083 13.2911 13.3091 13.4060 13.4185 13.7872 13.7962 15.3728 15.3847 k = 0.4242 0.2449 0.4515 ( 4280 PWs) bands (ev): -44.4815 -44.4815 -21.2224 -21.2217 -20.5745 -20.5739 -20.5693 -20.5691 -8.7206 -8.7181 -8.7097 -8.7078 -7.7271 -7.7241 -7.6749 -7.6710 -7.6628 -7.6606 4.9021 4.9065 8.3114 8.3607 9.6314 9.6892 10.4711 10.4941 11.0007 11.0042 11.2066 11.2235 11.3365 11.3811 11.8172 11.8562 11.9043 11.9121 13.2790 13.2951 13.4078 13.4204 13.8065 13.8140 15.2927 15.3038 k = 0.4205 0.2427 0.4639 ( 4272 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5745 -20.5738 -20.5695 -20.5692 -8.7207 -8.7183 -8.7098 -8.7077 -7.7273 -7.7242 -7.6750 -7.6708 -7.6629 -7.6604 4.9297 4.9342 8.3325 8.3872 9.5859 9.6502 10.4855 10.5102 10.9797 10.9853 11.1955 11.2156 11.3350 11.3828 11.8063 11.8512 11.9102 11.9164 13.2665 13.2807 13.4099 13.4225 13.8254 13.8313 15.2173 15.2276 k = 0.4167 0.2406 0.4763 ( 4270 PWs) bands (ev): -44.4815 -44.4815 -21.2225 -21.2217 -20.5744 -20.5738 -20.5696 -20.5693 -8.7208 -8.7184 -8.7099 -8.7076 -7.7275 -7.7242 -7.6752 -7.6706 -7.6630 -7.6603 4.9573 4.9620 8.3502 8.4106 9.5445 9.6152 10.5002 10.5265 10.9593 10.9668 11.1845 11.2076 11.3339 11.3853 11.7944 11.8449 11.9158 11.9211 13.2536 13.2662 13.4122 13.4250 13.8434 13.8479 15.1469 15.1565 k = 0.4129 0.2384 0.4887 ( 4271 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2217 -20.5744 -20.5737 -20.5697 -20.5694 -8.7208 -8.7185 -8.7100 -8.7076 -7.7277 -7.7243 -7.6753 -7.6705 -7.6631 -7.6602 4.9848 4.9896 8.3639 8.4298 9.5083 9.5855 10.5150 10.5430 10.9399 10.9491 11.1737 11.1995 11.3333 11.3886 11.7816 11.8379 11.9212 11.9258 13.2407 13.2517 13.4150 13.4279 13.8601 13.8633 15.0817 15.0907 k = 0.4091 0.2362 0.5010 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2218 -20.5744 -20.5737 -20.5698 -20.5695 -8.7209 -8.7186 -8.7102 -8.7075 -7.7278 -7.7244 -7.6753 -7.6703 -7.6632 -7.6601 5.0119 5.0168 8.3727 8.4437 9.4790 9.5620 10.5299 10.5597 10.9214 10.9322 11.1629 11.1913 11.3330 11.3928 11.7679 11.8303 11.9262 11.9306 13.2278 13.2373 13.4181 13.4313 13.8753 13.8772 15.0221 15.0305 k = 0.4053 0.2340 0.5134 ( 4278 PWs) bands (ev): -44.4815 -44.4814 -21.2226 -21.2218 -20.5745 -20.5737 -20.5699 -20.5696 -8.7209 -8.7187 -8.7103 -8.7074 -7.7280 -7.7244 -7.6754 -7.6701 -7.6633 -7.6600 5.0384 5.0434 8.3760 8.4511 9.4577 9.5455 10.5449 10.5764 10.9040 10.9163 11.1523 11.1830 11.3331 11.3977 11.7537 11.8225 11.9310 11.9352 13.2150 13.2232 13.4218 13.4351 13.8884 13.8893 14.9684 14.9762 k = 0.4015 0.2318 0.5258 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2218 -20.5745 -20.5737 -20.5700 -20.5696 -8.7210 -8.7188 -8.7104 -8.7073 -7.7282 -7.7245 -7.6755 -7.6699 -7.6635 -7.6599 5.0640 5.0691 8.3734 8.4515 9.4456 9.5369 10.5597 10.5930 10.8878 10.9014 11.1418 11.1747 11.3333 11.4033 11.7391 11.8148 11.9353 11.9395 13.2027 13.2096 13.4260 13.4395 13.8990 13.8991 14.9209 14.9281 k = 0.3977 0.2296 0.5381 ( 4279 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2219 -20.5745 -20.5737 -20.5701 -20.5697 -8.7210 -8.7189 -8.7106 -8.7072 -7.7283 -7.7246 -7.6755 -7.6697 -7.6636 -7.6599 5.0884 5.0935 8.3649 8.4444 9.4432 9.5363 10.5744 10.6094 10.8728 10.8877 11.1316 11.1664 11.3334 11.4093 11.7246 11.8074 11.9391 11.9435 13.1909 13.1966 13.4309 13.4446 13.9061 13.9069 14.8797 14.8865 k = 0.3939 0.2274 0.5505 ( 4271 PWs) bands (ev): -44.4815 -44.4814 -21.2227 -21.2219 -20.5745 -20.5737 -20.5701 -20.5697 -8.7210 -8.7190 -8.7107 -8.7072 -7.7284 -7.7247 -7.6756 -7.6695 -7.6637 -7.6598 5.1113 5.1164 8.3508 8.4302 9.4504 9.5436 10.5887 10.6255 10.8593 10.8753 11.1216 11.1580 11.3334 11.4156 11.7105 11.8008 11.9426 11.9472 13.1797 13.1843 13.4366 13.4504 13.9101 13.9115 14.8453 14.8515 k = 0.3902 0.2253 0.5629 ( 4269 PWs) bands (ev): -44.4815 -44.4814 -21.2228 -21.2219 -20.5746 -20.5737 -20.5701 -20.5697 -8.7209 -8.7191 -8.7109 -8.7071 -7.7285 -7.7248 -7.6756 -7.6693 -7.6638 -7.6598 5.1323 5.1373 8.3317 8.4098 9.4668 9.5586 10.6025 10.6409 10.8471 10.8643 11.1119 11.1497 11.3330 11.4216 11.6973 11.7953 11.9455 11.9505 13.1693 13.1728 13.4432 13.4571 13.9110 13.9128 14.8178 14.8232 k = 0.3864 0.2231 0.5753 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5746 -20.5738 -20.5701 -20.5697 -8.7209 -8.7192 -8.7110 -8.7071 -7.7286 -7.7248 -7.6756 -7.6691 -7.6639 -7.6598 5.1510 5.1560 8.3088 8.3843 9.4914 9.5804 10.6158 10.6557 10.8365 10.8548 11.1026 11.1414 11.3320 11.4270 11.6858 11.7912 11.9479 11.9534 13.1598 13.1622 13.4507 13.4646 13.9085 13.9105 14.7971 14.8018 k = 0.3826 0.2209 0.5876 ( 4270 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2219 -20.5746 -20.5738 -20.5702 -20.5697 -8.7208 -8.7193 -8.7112 -8.7070 -7.7287 -7.7249 -7.6756 -7.6689 -7.6639 -7.6598 5.1671 5.1721 8.2830 8.3552 9.5231 9.6083 10.6284 10.6696 10.8275 10.8468 11.0937 11.1332 11.3302 11.4310 11.6767 11.7888 11.9500 11.9559 13.1512 13.1527 13.4593 13.4733 13.9028 13.9048 14.7832 14.7870 k = 0.3788 0.2187 0.6000 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5738 -20.5701 -20.5697 -8.7207 -8.7193 -8.7114 -8.7070 -7.7288 -7.7250 -7.6755 -7.6688 -7.6640 -7.6598 5.1802 5.1852 8.2555 8.3240 9.5607 9.6414 10.6401 10.6824 10.8201 10.8404 11.0853 11.1251 11.3274 11.4328 11.6709 11.7885 11.9516 11.9581 13.1438 13.1443 13.4690 13.4830 13.8942 13.8960 14.7757 14.7786 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5747 -20.5739 -20.5701 -20.5697 -8.7206 -8.7194 -8.7115 -8.7069 -7.7288 -7.7251 -7.6755 -7.6687 -7.6640 -7.6599 5.1899 5.1948 8.2275 8.2921 9.6030 9.6788 10.6510 10.6940 10.8144 10.8357 11.0774 11.1170 11.3233 11.4317 11.6693 11.7905 11.9528 11.9601 13.1369 13.1374 13.4800 13.4940 13.8831 13.8845 14.7744 14.7762 k = 0.6184-0.0836 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5748 -20.5740 -20.5701 -20.5696 -8.7205 -8.7195 -8.7118 -8.7069 -7.7288 -7.7252 -7.6754 -7.6684 -7.6641 -7.6599 5.2026 5.2073 8.1796 8.2377 9.6816 9.7485 10.6684 10.7125 10.8064 10.8294 11.0641 11.1031 11.3144 11.4253 11.6725 11.7971 11.9553 11.9636 13.1253 13.1274 13.5004 13.5143 13.8634 13.8640 14.7762 14.7764 k = 0.6118-0.0950 0.4082 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5748 -20.5741 -20.5700 -20.5696 -8.7203 -8.7196 -8.7120 -8.7068 -7.7289 -7.7253 -7.6753 -7.6682 -7.6642 -7.6600 5.2133 5.2178 8.1329 8.1853 9.7627 9.8210 10.6849 10.7298 10.7997 10.8243 11.0511 11.0892 11.3036 11.4153 11.6798 11.8058 11.9586 11.9680 13.1142 13.1178 13.5210 13.5348 13.8460 13.8463 14.7748 14.7772 k = 0.6053-0.1064 0.4082 ( 4274 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2220 -20.5749 -20.5742 -20.5699 -20.5695 -8.7201 -8.7197 -8.7122 -8.7068 -7.7289 -7.7255 -7.6751 -7.6680 -7.6642 -7.6601 5.2222 5.2266 8.0879 8.1350 9.8456 9.8953 10.7000 10.7455 10.7943 10.8208 11.0383 11.0754 11.2912 11.4023 11.6908 11.8163 11.9626 11.9730 13.1034 13.1085 13.5418 13.5555 13.8307 13.8319 14.7713 14.7766 k = 0.5987-0.1177 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5750 -20.5743 -20.5698 -20.5695 -8.7199 -8.7197 -8.7124 -8.7069 -7.7289 -7.7256 -7.6750 -7.6679 -7.6643 -7.6602 5.2294 5.2336 8.0446 8.0870 9.9295 9.9706 10.7134 10.7587 10.7908 10.8198 11.0260 11.0619 11.2774 11.3867 11.7048 11.8284 11.9674 11.9786 13.0931 13.0996 13.5628 13.5765 13.8180 13.8201 14.7598 14.7731 k = 0.5921-0.1291 0.4082 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2228 -21.2221 -20.5750 -20.5744 -20.5697 -20.5694 -8.7198 -8.7197 -8.7126 -8.7069 -7.7289 -7.7258 -7.6748 -7.6677 -7.6644 -7.6603 5.2353 5.2393 8.0034 8.0416 10.0139 10.0460 10.7245 10.7679 10.7894 10.8226 11.0141 11.0488 11.2622 11.3690 11.7214 11.8418 11.9728 11.9849 13.0831 13.0910 13.5840 13.5976 13.8079 13.8110 14.7154 14.7268 k = 0.5855-0.1405 0.4082 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2221 -20.5751 -20.5745 -20.5697 -20.5693 -8.7198 -8.7195 -8.7127 -8.7070 -7.7289 -7.7259 -7.6746 -7.6676 -7.6644 -7.6604 5.2400 5.2438 7.9645 7.9988 10.0980 10.1209 10.7328 10.7727 10.7909 10.8298 11.0028 11.0361 11.2459 11.3496 11.7401 11.8561 11.9787 11.9917 13.0734 13.0826 13.6054 13.6189 13.8004 13.8045 14.6567 14.6659 k = 0.5789-0.1519 0.4082 ( 4272 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2221 -20.5751 -20.5746 -20.5696 -20.5693 -8.7198 -8.7193 -8.7128 -8.7071 -7.7289 -7.7261 -7.6743 -7.6676 -7.6644 -7.6605 5.2436 5.2471 7.9281 7.9588 10.1813 10.1945 10.7379 10.7738 10.7953 10.8403 10.9921 11.0239 11.2286 11.3287 11.7606 11.8711 11.9851 11.9992 13.0642 13.0745 13.6270 13.6404 13.7956 13.8006 14.5982 14.6069 k = 0.5724-0.1633 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2221 -20.5752 -20.5747 -20.5695 -20.5692 -8.7199 -8.7192 -8.7128 -8.7072 -7.7289 -7.7263 -7.6741 -7.6676 -7.6643 -7.6606 5.2464 5.2496 7.8942 7.9215 10.2629 10.2660 10.7405 10.7730 10.8020 10.8527 10.9821 11.0122 11.2106 11.3067 11.7823 11.8861 11.9920 12.0073 13.0554 13.0666 13.6489 13.6621 13.7933 13.7993 14.5417 14.5502 k = 0.5658-0.1747 0.4082 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2222 -20.5752 -20.5748 -20.5694 -20.5691 -8.7199 -8.7191 -8.7127 -8.7074 -7.7288 -7.7264 -7.6738 -7.6677 -7.6642 -7.6607 5.2484 5.2514 7.8629 7.8872 10.3348 10.3424 10.7416 10.7712 10.8098 10.8656 10.9728 11.0009 11.1918 11.2834 11.8050 11.9008 11.9994 12.0162 13.0471 13.0589 13.6710 13.6839 13.7935 13.8004 14.4874 14.4958 k = 0.5592-0.1861 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2227 -21.2222 -20.5753 -20.5748 -20.5693 -20.5691 -8.7199 -8.7190 -8.7126 -8.7076 -7.7288 -7.7266 -7.6735 -7.6678 -7.6641 -7.6609 5.2498 5.2525 7.8345 7.8559 10.4003 10.4191 10.7421 10.7690 10.8179 10.8788 10.9642 10.9902 11.1726 11.2591 11.8279 11.9146 12.0073 12.0258 13.0393 13.0515 13.6932 13.7059 13.7959 13.8036 14.4356 14.4441 k = 0.5526-0.1975 0.4082 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2222 -20.5753 -20.5749 -20.5692 -20.5690 -8.7199 -8.7190 -8.7125 -8.7078 -7.7287 -7.7267 -7.6732 -7.6680 -7.6639 -7.6610 5.2508 5.2532 7.8090 7.8276 10.4620 10.4925 10.7423 10.7667 10.8258 10.8917 10.9564 10.9799 11.1530 11.2337 11.8506 11.9271 12.0157 12.0360 13.0320 13.0443 13.7156 13.7279 13.8005 13.8088 14.3865 14.3950 k = 0.5461-0.2089 0.4082 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2222 -20.5753 -20.5750 -20.5691 -20.5690 -8.7198 -8.7190 -8.7123 -8.7080 -7.7286 -7.7269 -7.6729 -7.6682 -7.6638 -7.6611 5.2514 5.2535 7.7864 7.8025 10.5196 10.5620 10.7427 10.7643 10.8330 10.9045 10.9493 10.9700 11.1331 11.2072 11.8724 11.9379 12.0247 12.0466 13.0255 13.0375 13.7380 13.7498 13.8068 13.8155 14.3404 14.3489 k = 0.5395-0.2203 0.4082 ( 4262 PWs) bands (ev): -44.4814 -44.4814 -21.2226 -21.2223 -20.5754 -20.5751 -20.5691 -20.5689 -8.7198 -8.7190 -8.7121 -8.7083 -7.7285 -7.7270 -7.6726 -7.6685 -7.6636 -7.6613 5.2517 5.2535 7.7669 7.7804 10.5728 10.6269 10.7434 10.7619 10.8395 10.9170 10.9430 10.9606 11.1133 11.1794 11.8926 11.9468 12.0343 12.0572 13.0197 13.0310 13.7603 13.7713 13.8144 13.8233 14.2975 14.3059 k = 0.5329-0.2317 0.4082 ( 4266 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5751 -20.5690 -20.5689 -8.7198 -8.7191 -8.7118 -8.7086 -7.7284 -7.7272 -7.6722 -7.6688 -7.6634 -7.6614 5.2519 5.2534 7.7504 7.7615 10.6212 10.6858 10.7452 10.7597 10.8453 10.9291 10.9376 10.9517 11.0936 11.1502 11.9107 11.9538 12.0444 12.0670 13.0148 13.0251 13.7820 13.7921 13.8229 13.8316 14.2584 14.2665 k = 0.5263-0.2431 0.4082 ( 4268 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5752 -20.5690 -20.5689 -8.7197 -8.7191 -8.7115 -8.7089 -7.7283 -7.7273 -7.6719 -7.6691 -7.6632 -7.6616 5.2520 5.2532 7.7370 7.7459 10.6647 10.7308 10.7539 10.7575 10.8517 10.9323 10.9418 10.9436 11.0744 11.1197 11.9261 11.9588 12.0547 12.0755 13.0109 13.0197 13.8028 13.8115 13.8316 13.8398 14.2238 14.2313 k = 0.5197-0.2545 0.4082 ( 4252 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2223 -20.5754 -20.5752 -20.5689 -20.5688 -8.7197 -8.7192 -8.7112 -8.7092 -7.7282 -7.7275 -7.6715 -7.6694 -7.6629 -7.6618 5.2520 5.2529 7.7268 7.7334 10.7030 10.7417 10.7556 10.7844 10.8632 10.9284 10.9369 10.9536 11.0559 11.0879 11.9386 11.9620 12.0646 12.0821 13.0081 13.0150 13.8217 13.8284 13.8397 13.8472 14.1946 14.2011 k = 0.5132-0.2659 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2225 -21.2224 -20.5754 -20.5753 -20.5689 -20.5688 -8.7196 -8.7193 -8.7109 -8.7095 -7.7281 -7.7276 -7.6712 -7.6697 -7.6627 -7.6620 5.2520 5.2526 7.7199 7.7242 10.7347 10.7442 10.7549 10.8014 10.8872 10.9253 10.9325 10.9646 11.0388 11.0556 11.9483 11.9633 12.0734 12.0860 13.0064 13.0112 13.8375 13.8413 13.8468 13.8532 14.1723 14.1772 k = 0.5066-0.2773 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5754 -20.5753 -20.5689 -20.5688 -8.7195 -8.7194 -8.7105 -8.7099 -7.7280 -7.7278 -7.6708 -7.6701 -7.6625 -7.6621 5.2521 5.2524 7.7161 7.7183 10.7461 10.7482 10.7668 10.7995 10.9146 10.9231 10.9363 10.9714 11.0239 11.0264 11.9554 11.9627 12.0805 12.0871 13.0058 13.0083 13.8476 13.8488 13.8529 13.8571 14.1585 14.1612 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -44.4814 -44.4814 -21.2224 -21.2224 -20.5754 -20.5754 -20.5688 -20.5688 -8.7194 -8.7194 -8.7102 -8.7102 -7.7279 -7.7279 -7.6704 -7.6704 -7.6623 -7.6623 5.2522 5.2522 7.7156 7.7156 10.7476 10.7476 10.7865 10.7865 10.9215 10.9215 10.9602 10.9602 11.0152 11.0152 11.9602 11.9602 12.0852 12.0852 13.0065 13.0065 13.8508 13.8508 13.8573 13.8573 14.1547 14.1547 Writing output data file TiNiSn.save init_run : 0.98s CPU 0.70s WALL ( 1 calls) electrons : 340.60s CPU 225.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.16s CPU 0.24s WALL ( 1 calls) potinit : 0.07s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 340.59s CPU 225.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.20s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.44s WALL ( 354 calls) cegterg : 311.54s CPU 207.88s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 224.86s CPU 137.82s WALL ( 8752 calls) s_psi : 6.56s CPU 4.42s WALL ( 8752 calls) g_psi : 0.45s CPU 0.32s WALL ( 7865 calls) cdiaghg : 74.23s CPU 56.86s WALL ( 8219 calls) cegterg:over : 11.02s CPU 7.96s WALL ( 7865 calls) cegterg:upda : 8.68s CPU 6.48s WALL ( 7865 calls) cegterg:last : 5.26s CPU 4.06s WALL ( 1890 calls) cdiaghg:chol : 4.33s CPU 3.21s WALL ( 8219 calls) cdiaghg:inve : 2.16s CPU 1.70s WALL ( 8219 calls) cdiaghg:para : 4.22s CPU 3.26s WALL ( 16438 calls) Called by h_psi: h_psi:vloc : 204.72s CPU 124.13s WALL ( 8752 calls) h_psi:vnl : 19.76s CPU 13.39s WALL ( 8752 calls) add_vuspsi : 11.68s CPU 7.61s WALL ( 8752 calls) General routines calbec : 8.04s CPU 5.75s WALL ( 8752 calls) fft : 0.10s CPU 0.05s WALL ( 15 calls) fftw : 195.86s CPU 117.90s WALL ( 946080 calls) davcio : 0.50s CPU 0.84s WALL ( 708 calls) Parallel routines fft_scatter : 72.19s CPU 49.02s WALL ( 946095 calls) PWSCF : 5m57.21s CPU 4m16.60s WALL This run was terminated on: 4:30:43 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=