Program PWSCF v.5.1.1 starts on 28Aug2015 at 4:30:52 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Be5Pd.save/ file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 26 7 2410 601 93 Max 65 27 8 2417 624 98 Sum 3115 1261 361 115921 29363 4573 bravais-lattice index = 14 lattice parameter (alat) = 8.0094 a.u. unit-cell volume = 363.3178 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.009411 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 Be read from file: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 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 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) Pd 10.00 106.42000 Pd( 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: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028329 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028329 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028329 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028329 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028329 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028329 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028329 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028329 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028329 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028329 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028329 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028329 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028329 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028329 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028329 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028329 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028329 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028329 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028329 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028329 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028329 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028329 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028329 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028329 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028329 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028329 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028329 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028329 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028329 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028329 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028329 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028329 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028329 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028329 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028329 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028329 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028329 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028329 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028329 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028329 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028329 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028329 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028329 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028329 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028329 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028329 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028329 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028329 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028329 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028329 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028329 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028329 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028329 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028329 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028329 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028329 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028329 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028329 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028329 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028329 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028329 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028329 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028329 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028329 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028329 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028329 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028329 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028329 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028329 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028329 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028329 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028329 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028329 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028329 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028329 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028329 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028329 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028329 k( 82) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028329 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028329 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028329 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028329 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028329 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028329 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028329 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028329 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028329 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028329 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028329 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028329 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028329 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028329 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028329 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028329 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028329 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028329 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028329 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028329 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028329 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028329 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028329 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028329 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028329 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028329 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028329 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028329 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028329 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028329 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028329 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028329 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028329 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028329 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028329 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028329 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028329 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028329 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028329 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028329 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028329 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028329 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028329 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028329 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028329 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028329 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028329 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028329 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028329 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028329 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028329 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028329 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028329 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028329 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028329 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028329 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028329 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028329 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028329 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028329 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028329 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028329 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028329 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028329 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028329 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028329 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028329 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028329 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028329 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028329 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028329 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028329 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028329 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028329 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028329 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028329 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028329 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028329 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028329 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028329 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028329 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028329 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028329 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028329 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028329 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028329 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028329 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028329 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028329 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028329 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028329 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028329 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028329 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028329 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028329 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028329 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028329 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028329 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028329 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028329 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028329 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028329 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028329 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028329 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028329 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028329 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028329 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028329 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028329 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028329 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028329 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028329 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028329 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028329 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028329 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028329 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028329 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028329 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028329 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 208) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028329 k( 209) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028329 k( 210) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028329 k( 211) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028329 k( 212) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028329 k( 213) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028329 k( 214) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028329 k( 215) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028329 k( 216) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028329 k( 217) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028329 k( 218) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028329 k( 219) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028329 k( 220) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028329 k( 221) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028329 k( 222) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028329 k( 223) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028329 k( 224) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028329 k( 225) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028329 k( 226) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028329 k( 227) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028329 k( 228) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028329 k( 229) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028329 k( 230) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028329 k( 231) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028329 k( 232) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028329 k( 233) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028329 k( 234) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028329 k( 235) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028329 k( 236) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028329 k( 237) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028329 k( 238) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028329 k( 239) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028329 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 242) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028329 k( 243) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028329 k( 244) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028329 k( 245) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028329 k( 246) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028329 k( 247) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028329 k( 248) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028329 k( 249) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028329 k( 250) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028329 k( 251) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028329 k( 252) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028329 k( 253) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028329 k( 254) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028329 k( 255) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028329 k( 256) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028329 k( 257) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028329 k( 258) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028329 k( 259) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028329 k( 260) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028329 k( 261) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028329 k( 262) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028329 k( 263) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028329 k( 264) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028329 k( 265) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028329 k( 266) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028329 k( 267) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028329 k( 268) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028329 k( 269) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028329 k( 270) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028329 k( 271) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028329 k( 272) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028329 k( 273) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028329 k( 274) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028329 k( 275) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028329 k( 276) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028329 k( 277) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028329 k( 278) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028329 k( 279) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028329 k( 280) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028329 k( 281) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028329 k( 282) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028329 k( 283) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028329 k( 284) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028329 k( 285) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028329 k( 286) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028329 k( 287) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028329 k( 288) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028329 k( 289) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028329 k( 290) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028329 k( 291) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028329 k( 292) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028329 k( 293) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028329 k( 294) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028329 k( 295) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028329 k( 296) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028329 k( 297) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028329 k( 298) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028329 k( 299) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 300) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028329 k( 301) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028329 k( 302) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028329 k( 303) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028329 k( 304) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028329 k( 305) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028329 k( 306) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028329 k( 307) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028329 k( 308) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028329 k( 309) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028329 k( 310) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028329 k( 311) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028329 k( 312) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028329 k( 313) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028329 k( 314) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028329 k( 315) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028329 k( 316) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028329 k( 317) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028329 k( 318) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028329 k( 319) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028329 k( 320) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028329 k( 321) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028329 k( 322) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028329 k( 323) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028329 k( 324) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028329 k( 325) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028329 k( 326) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028329 k( 327) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028329 k( 328) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028329 k( 329) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028329 k( 330) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028329 k( 331) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028329 k( 332) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028329 k( 333) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028329 k( 334) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028329 k( 335) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028329 k( 336) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028329 k( 337) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028329 k( 338) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028329 k( 339) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028329 k( 340) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028329 k( 341) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028329 k( 342) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028329 k( 343) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028329 k( 344) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028329 k( 345) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028329 k( 346) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028329 k( 347) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028329 k( 348) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028329 k( 349) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028329 k( 350) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028329 k( 351) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028329 k( 352) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028329 k( 353) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028329 k( 3) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028329 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028329 k( 5) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028329 k( 6) = ( 0.0471698 0.0000000 0.0471698), wk = 0.0028329 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028329 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028329 k( 9) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028329 k( 10) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028329 k( 11) = ( 0.0943396 0.0000000 0.0943396), wk = 0.0028329 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028329 k( 13) = ( 0.1132076 0.0000000 0.1132076), wk = 0.0028329 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028329 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028329 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028329 k( 17) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028329 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028329 k( 19) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028329 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028329 k( 21) = ( 0.1886792 0.0000000 0.1886792), wk = 0.0028329 k( 22) = ( 0.1981132 0.0000000 0.1981132), wk = 0.0028329 k( 23) = ( 0.2075472 0.0000000 0.2075472), wk = 0.0028329 k( 24) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0028329 k( 25) = ( 0.2264151 -0.0000000 0.2264151), wk = 0.0028329 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028329 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028329 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028329 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028329 k( 30) = ( 0.2735849 0.0000000 0.2735849), wk = 0.0028329 k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028329 k( 32) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028329 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028329 k( 34) = ( 0.3113207 0.0000000 0.3113207), wk = 0.0028329 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028329 k( 36) = ( 0.3301887 0.0000000 0.3301887), wk = 0.0028329 k( 37) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028329 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028329 k( 39) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028329 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028329 k( 41) = ( 0.3773585 0.0000000 0.3773585), wk = 0.0028329 k( 42) = ( 0.3867925 0.0000000 0.3867925), wk = 0.0028329 k( 43) = ( 0.3962264 0.0000000 0.3962264), wk = 0.0028329 k( 44) = ( 0.4056604 0.0000000 0.4056604), wk = 0.0028329 k( 45) = ( 0.4150943 0.0000000 0.4150943), wk = 0.0028329 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028329 k( 47) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0028329 k( 48) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028329 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028329 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028329 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028329 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028329 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028329 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028329 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028329 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028329 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028329 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028329 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028329 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028329 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028329 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028329 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028329 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028329 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028329 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028329 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028329 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028329 k( 71) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028329 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028329 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028329 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028329 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028329 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028329 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028329 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028329 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028329 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028329 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028329 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028329 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028329 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028329 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028329 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028329 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028329 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028329 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028329 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028329 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028329 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028329 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028329 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028329 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028329 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028329 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028329 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028329 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028329 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028329 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028329 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028329 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028329 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028329 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028329 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028329 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028329 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028329 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028329 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028329 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028329 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028329 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028329 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028329 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028329 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028329 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028329 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028329 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028329 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028329 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028329 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028329 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028329 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028329 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028329 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028329 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028329 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028329 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028329 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028329 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028329 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028329 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028329 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028329 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028329 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028329 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028329 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028329 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028329 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028329 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028329 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028329 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028329 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028329 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028329 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028329 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028329 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028329 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028329 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028329 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028329 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028329 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028329 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028329 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028329 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028329 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028329 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028329 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028329 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028329 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028329 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028329 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028329 k( 170) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0028329 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028329 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028329 k( 173) = ( 0.1413043 0.1413044 0.1413043), wk = 0.0028329 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028329 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028329 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028329 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028329 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028329 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028329 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028329 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028329 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028329 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028329 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028329 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028329 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028329 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028329 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028329 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028329 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028329 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028329 k( 193) = ( 0.3586956 0.3586957 0.3586956), wk = 0.0028329 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028329 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028329 k( 196) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0028329 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028329 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028329 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028329 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028329 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028329 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028329 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028329 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028329 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028329 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028329 k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028329 k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028329 k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028329 k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028329 k( 213) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028329 k( 214) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028329 k( 215) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028329 k( 216) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028329 k( 217) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028329 k( 218) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028329 k( 219) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028329 k( 220) = ( 0.5492424 0.4015152 0.5492424), wk = 0.0028329 k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028329 k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028329 k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028329 k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028329 k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028329 k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028329 k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028329 k( 228) = ( 0.5795455 0.3409091 0.5795454), wk = 0.0028329 k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028329 k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028329 k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028329 k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028329 k( 233) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028329 k( 234) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028329 k( 235) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028329 k( 236) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028329 k( 237) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028329 k( 238) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028329 k( 239) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028329 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 242) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028329 k( 243) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028329 k( 244) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028329 k( 245) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028329 k( 246) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028329 k( 247) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028329 k( 248) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028329 k( 249) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028329 k( 250) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028329 k( 251) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028329 k( 252) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028329 k( 253) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028329 k( 254) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028329 k( 255) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028329 k( 256) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028329 k( 257) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028329 k( 258) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028329 k( 259) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028329 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028329 k( 262) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028329 k( 263) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028329 k( 264) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028329 k( 265) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028329 k( 266) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028329 k( 267) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028329 k( 268) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028329 k( 269) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028329 k( 270) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028329 k( 271) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028329 k( 272) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028329 k( 273) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028329 k( 274) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028329 k( 275) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028329 k( 276) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028329 k( 277) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028329 k( 278) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028329 k( 279) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028329 k( 280) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028329 k( 281) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028329 k( 282) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028329 k( 283) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028329 k( 284) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028329 k( 285) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028329 k( 286) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028329 k( 287) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028329 k( 288) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028329 k( 289) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028329 k( 290) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028329 k( 291) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028329 k( 292) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028329 k( 293) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028329 k( 294) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028329 k( 295) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028329 k( 296) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028329 k( 297) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028329 k( 298) = ( 0.5000000 0.4934211 0.5065789), wk = 0.0028329 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 301) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028329 k( 302) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028329 k( 303) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028329 k( 304) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028329 k( 305) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028329 k( 306) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028329 k( 307) = ( 0.4734849 0.4734849 0.5530303), wk = 0.0028329 k( 308) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028329 k( 309) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028329 k( 310) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028329 k( 311) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028329 k( 312) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028329 k( 313) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028329 k( 314) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028329 k( 315) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028329 k( 316) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028329 k( 317) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028329 k( 318) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028329 k( 319) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028329 k( 320) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028329 k( 321) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028329 k( 322) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028329 k( 323) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028329 k( 324) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028329 k( 325) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028329 k( 326) = ( 0.4015151 0.4015152 0.6969697), wk = 0.0028329 k( 327) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028329 k( 328) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028329 k( 329) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028329 k( 330) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028329 k( 331) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028329 k( 332) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028329 k( 333) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028329 k( 334) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028329 k( 335) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028329 k( 336) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028329 k( 337) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028329 k( 338) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028329 k( 339) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028329 k( 340) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028329 k( 341) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028329 k( 342) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028329 k( 343) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028329 k( 344) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028329 k( 345) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028329 k( 346) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028329 k( 347) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028329 k( 348) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028329 k( 349) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028329 k( 350) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028329 k( 351) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028329 k( 352) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028329 k( 353) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028329 Dense grid: 115921 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 29363 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 160, 38) NL pseudopotentials 0.13 Mb ( 80, 104) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2417) G-vector shells 0.00 Mb ( 629) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 160, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.12 Mb ( 104, 2, 38) The potential is recalculated from file : ./Be5Pd.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 43.7 secs Computing kpt #: 3 total cpu time spent up to now is 45.2 secs Computing kpt #: 4 total cpu time spent up to now is 46.6 secs Computing kpt #: 5 total cpu time spent up to now is 48.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.6 secs Computing kpt #: 7 total cpu time spent up to now is 51.2 secs Computing kpt #: 8 total cpu time spent up to now is 52.8 secs Computing kpt #: 9 total cpu time spent up to now is 54.8 secs Computing kpt #: 10 total cpu time spent up to now is 56.7 secs Computing kpt #: 11 total cpu time spent up to now is 58.5 secs Computing kpt #: 12 total cpu time spent up to now is 60.5 secs Computing kpt #: 13 total cpu time spent up to now is 62.5 secs Computing kpt #: 14 total cpu time spent up to now is 64.4 secs Computing kpt #: 15 total cpu time spent up to now is 66.5 secs Computing kpt #: 16 total cpu time spent up to now is 68.6 secs Computing kpt #: 17 total cpu time spent up to now is 70.6 secs Computing kpt #: 18 total cpu time spent up to now is 73.0 secs Computing kpt #: 19 total cpu time spent up to now is 75.1 secs Computing kpt #: 20 total cpu time spent up to now is 77.6 secs Computing kpt #: 21 total cpu time spent up to now is 79.6 secs Computing kpt #: 22 total cpu time spent up to now is 82.0 secs Computing kpt #: 23 total cpu time spent up to now is 84.8 secs Computing kpt #: 24 total cpu time spent up to now is 87.7 secs Computing kpt #: 25 total cpu time spent up to now is 90.7 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.7 secs Computing kpt #: 27 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.0 secs Computing kpt #: 29 total cpu time spent up to now is 102.1 secs Computing kpt #: 30 total cpu time spent up to now is 104.6 secs Computing kpt #: 31 total cpu time spent up to now is 106.8 secs Computing kpt #: 32 total cpu time spent up to now is 108.8 secs Computing kpt #: 33 total cpu time spent up to now is 110.8 secs Computing kpt #: 34 total cpu time spent up to now is 112.6 secs Computing kpt #: 35 total cpu time spent up to now is 114.1 secs Computing kpt #: 36 total cpu time spent up to now is 115.5 secs Computing kpt #: 37 total cpu time spent up to now is 117.0 secs Computing kpt #: 38 total cpu time spent up to now is 118.5 secs Computing kpt #: 39 total cpu time spent up to now is 119.9 secs Computing kpt #: 40 total cpu time spent up to now is 121.5 secs Computing kpt #: 41 total cpu time spent up to now is 122.9 secs Computing kpt #: 42 total cpu time spent up to now is 124.4 secs Computing kpt #: 43 total cpu time spent up to now is 126.0 secs Computing kpt #: 44 total cpu time spent up to now is 127.8 secs Computing kpt #: 45 total cpu time spent up to now is 129.5 secs Computing kpt #: 46 total cpu time spent up to now is 131.5 secs Computing kpt #: 47 total cpu time spent up to now is 133.0 secs Computing kpt #: 48 total cpu time spent up to now is 134.5 secs Computing kpt #: 49 total cpu time spent up to now is 135.9 secs Computing kpt #: 50 total cpu time spent up to now is 137.4 secs Computing kpt #: 51 total cpu time spent up to now is 138.8 secs Computing kpt #: 52 total cpu time spent up to now is 140.3 secs Computing kpt #: 53 total cpu time spent up to now is 141.7 secs Computing kpt #: 54 total cpu time spent up to now is 143.1 secs Computing kpt #: 55 total cpu time spent up to now is 145.0 secs Computing kpt #: 56 total cpu time spent up to now is 147.0 secs Computing kpt #: 57 total cpu time spent up to now is 148.6 secs Computing kpt #: 58 total cpu time spent up to now is 150.2 secs Computing kpt #: 59 total cpu time spent up to now is 152.2 secs Computing kpt #: 60 total cpu time spent up to now is 153.9 secs Computing kpt #: 61 total cpu time spent up to now is 155.4 secs Computing kpt #: 62 total cpu time spent up to now is 156.9 secs Computing kpt #: 63 total cpu time spent up to now is 158.4 secs Computing kpt #: 64 total cpu time spent up to now is 160.0 secs Computing kpt #: 65 total cpu time spent up to now is 161.5 secs Computing kpt #: 66 total cpu time spent up to now is 163.0 secs Computing kpt #: 67 total cpu time spent up to now is 164.4 secs Computing kpt #: 68 total cpu time spent up to now is 165.9 secs Computing kpt #: 69 total cpu time spent up to now is 167.3 secs Computing kpt #: 70 total cpu time spent up to now is 168.9 secs Computing kpt #: 71 total cpu time spent up to now is 170.3 secs Computing kpt #: 72 total cpu time spent up to now is 171.8 secs Computing kpt #: 73 total cpu time spent up to now is 173.3 secs Computing kpt #: 74 total cpu time spent up to now is 174.8 secs Computing kpt #: 75 total cpu time spent up to now is 176.3 secs Computing kpt #: 76 total cpu time spent up to now is 177.7 secs Computing kpt #: 77 total cpu time spent up to now is 179.3 secs Computing kpt #: 78 total cpu time spent up to now is 180.8 secs Computing kpt #: 79 total cpu time spent up to now is 182.2 secs Computing kpt #: 80 total cpu time spent up to now is 183.6 secs Computing kpt #: 81 total cpu time spent up to now is 185.3 secs Computing kpt #: 82 total cpu time spent up to now is 186.8 secs Computing kpt #: 83 total cpu time spent up to now is 188.3 secs Computing kpt #: 84 total cpu time spent up to now is 189.7 secs Computing kpt #: 85 total cpu time spent up to now is 191.3 secs Computing kpt #: 86 total cpu time spent up to now is 192.9 secs Computing kpt #: 87 total cpu time spent up to now is 194.4 secs Computing kpt #: 88 total cpu time spent up to now is 195.8 secs Computing kpt #: 89 total cpu time spent up to now is 197.4 secs Computing kpt #: 90 total cpu time spent up to now is 199.1 secs Computing kpt #: 91 total cpu time spent up to now is 200.6 secs Computing kpt #: 92 total cpu time spent up to now is 202.1 secs Computing kpt #: 93 total cpu time spent up to now is 203.6 secs Computing kpt #: 94 total cpu time spent up to now is 205.2 secs Computing kpt #: 95 total cpu time spent up to now is 206.7 secs Computing kpt #: 96 total cpu time spent up to now is 208.2 secs Computing kpt #: 97 total cpu time spent up to now is 209.7 secs Computing kpt #: 98 total cpu time spent up to now is 211.3 secs Computing kpt #: 99 total cpu time spent up to now is 212.8 secs Computing kpt #: 100 total cpu time spent up to now is 214.3 secs Computing kpt #: 101 total cpu time spent up to now is 215.9 secs Computing kpt #: 102 total cpu time spent up to now is 217.3 secs Computing kpt #: 103 total cpu time spent up to now is 218.8 secs Computing kpt #: 104 total cpu time spent up to now is 220.3 secs Computing kpt #: 105 total cpu time spent up to now is 221.8 secs Computing kpt #: 106 total cpu time spent up to now is 223.4 secs Computing kpt #: 107 total cpu time spent up to now is 225.1 secs Computing kpt #: 108 total cpu time spent up to now is 226.9 secs Computing kpt #: 109 total cpu time spent up to now is 228.3 secs Computing kpt #: 110 total cpu time spent up to now is 230.0 secs Computing kpt #: 111 total cpu time spent up to now is 231.8 secs Computing kpt #: 112 total cpu time spent up to now is 233.4 secs Computing kpt #: 113 total cpu time spent up to now is 234.9 secs Computing kpt #: 114 total cpu time spent up to now is 236.5 secs Computing kpt #: 115 total cpu time spent up to now is 238.2 secs Computing kpt #: 116 total cpu time spent up to now is 239.7 secs Computing kpt #: 117 total cpu time spent up to now is 241.1 secs Computing kpt #: 118 total cpu time spent up to now is 242.5 secs Computing kpt #: 119 total cpu time spent up to now is 244.0 secs Computing kpt #: 120 total cpu time spent up to now is 245.4 secs Computing kpt #: 121 total cpu time spent up to now is 246.8 secs Computing kpt #: 122 total cpu time spent up to now is 248.2 secs Computing kpt #: 123 total cpu time spent up to now is 249.6 secs Computing kpt #: 124 total cpu time spent up to now is 251.0 secs Computing kpt #: 125 total cpu time spent up to now is 252.4 secs Computing kpt #: 126 total cpu time spent up to now is 253.9 secs Computing kpt #: 127 total cpu time spent up to now is 255.3 secs Computing kpt #: 128 total cpu time spent up to now is 256.8 secs Computing kpt #: 129 total cpu time spent up to now is 258.2 secs Computing kpt #: 130 total cpu time spent up to now is 259.8 secs Computing kpt #: 131 total cpu time spent up to now is 261.2 secs Computing kpt #: 132 total cpu time spent up to now is 262.6 secs Computing kpt #: 133 total cpu time spent up to now is 264.1 secs Computing kpt #: 134 total cpu time spent up to now is 265.6 secs Computing kpt #: 135 total cpu time spent up to now is 267.0 secs Computing kpt #: 136 total cpu time spent up to now is 268.5 secs Computing kpt #: 137 total cpu time spent up to now is 270.1 secs Computing kpt #: 138 total cpu time spent up to now is 271.7 secs Computing kpt #: 139 total cpu time spent up to now is 273.4 secs Computing kpt #: 140 total cpu time spent up to now is 275.7 secs Computing kpt #: 141 total cpu time spent up to now is 278.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.2 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.2 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.3 secs Computing kpt #: 147 total cpu time spent up to now is 295.7 secs Computing kpt #: 148 total cpu time spent up to now is 298.0 secs Computing kpt #: 149 total cpu time spent up to now is 300.0 secs Computing kpt #: 150 total cpu time spent up to now is 301.9 secs Computing kpt #: 151 total cpu time spent up to now is 303.8 secs Computing kpt #: 152 total cpu time spent up to now is 305.5 secs Computing kpt #: 153 total cpu time spent up to now is 307.1 secs Computing kpt #: 154 total cpu time spent up to now is 308.7 secs Computing kpt #: 155 total cpu time spent up to now is 310.1 secs Computing kpt #: 156 total cpu time spent up to now is 311.6 secs Computing kpt #: 157 total cpu time spent up to now is 313.0 secs Computing kpt #: 158 total cpu time spent up to now is 314.4 secs Computing kpt #: 159 total cpu time spent up to now is 315.8 secs Computing kpt #: 160 total cpu time spent up to now is 317.1 secs Computing kpt #: 161 total cpu time spent up to now is 318.6 secs Computing kpt #: 162 total cpu time spent up to now is 320.1 secs Computing kpt #: 163 total cpu time spent up to now is 321.5 secs Computing kpt #: 164 total cpu time spent up to now is 323.0 secs Computing kpt #: 165 total cpu time spent up to now is 324.8 secs Computing kpt #: 166 total cpu time spent up to now is 326.4 secs Computing kpt #: 167 total cpu time spent up to now is 328.1 secs Computing kpt #: 168 total cpu time spent up to now is 329.7 secs Computing kpt #: 169 total cpu time spent up to now is 331.6 secs Computing kpt #: 170 total cpu time spent up to now is 333.4 secs Computing kpt #: 171 total cpu time spent up to now is 335.2 secs Computing kpt #: 172 total cpu time spent up to now is 337.3 secs Computing kpt #: 173 total cpu time spent up to now is 340.1 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.0 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.8 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.8 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.6 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.5 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.2 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.0 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.8 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.5 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.3 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.0 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.8 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.5 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.2 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.9 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.5 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.3 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.0 secs Computing kpt #: 193 total cpu time spent up to now is 395.1 secs Computing kpt #: 194 total cpu time spent up to now is 396.6 secs Computing kpt #: 195 total cpu time spent up to now is 398.1 secs Computing kpt #: 196 total cpu time spent up to now is 400.0 secs Computing kpt #: 197 total cpu time spent up to now is 401.5 secs Computing kpt #: 198 total cpu time spent up to now is 403.1 secs Computing kpt #: 199 total cpu time spent up to now is 404.7 secs Computing kpt #: 200 total cpu time spent up to now is 406.2 secs Computing kpt #: 201 total cpu time spent up to now is 408.0 secs Computing kpt #: 202 total cpu time spent up to now is 409.6 secs Computing kpt #: 203 total cpu time spent up to now is 411.4 secs Computing kpt #: 204 total cpu time spent up to now is 413.1 secs Computing kpt #: 205 total cpu time spent up to now is 414.7 secs Computing kpt #: 206 total cpu time spent up to now is 416.2 secs Computing kpt #: 207 total cpu time spent up to now is 418.0 secs Computing kpt #: 208 total cpu time spent up to now is 419.8 secs Computing kpt #: 209 total cpu time spent up to now is 421.3 secs Computing kpt #: 210 total cpu time spent up to now is 422.8 secs Computing kpt #: 211 total cpu time spent up to now is 424.3 secs Computing kpt #: 212 total cpu time spent up to now is 425.9 secs Computing kpt #: 213 total cpu time spent up to now is 427.7 secs Computing kpt #: 214 total cpu time spent up to now is 429.1 secs Computing kpt #: 215 total cpu time spent up to now is 430.5 secs Computing kpt #: 216 total cpu time spent up to now is 432.0 secs Computing kpt #: 217 total cpu time spent up to now is 433.5 secs Computing kpt #: 218 total cpu time spent up to now is 434.8 secs Computing kpt #: 219 total cpu time spent up to now is 436.2 secs Computing kpt #: 220 total cpu time spent up to now is 437.6 secs Computing kpt #: 221 total cpu time spent up to now is 439.0 secs Computing kpt #: 222 total cpu time spent up to now is 440.9 secs Computing kpt #: 223 total cpu time spent up to now is 442.3 secs Computing kpt #: 224 total cpu time spent up to now is 443.9 secs Computing kpt #: 225 total cpu time spent up to now is 446.2 secs Computing kpt #: 226 total cpu time spent up to now is 448.7 secs Computing kpt #: 227 total cpu time spent up to now is 451.1 secs Computing kpt #: 228 total cpu time spent up to now is 453.4 secs Computing kpt #: 229 total cpu time spent up to now is 456.3 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.5 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.7 secs Computing kpt #: 232 total cpu time spent up to now is 465.3 secs Computing kpt #: 233 total cpu time spent up to now is 467.2 secs Computing kpt #: 234 total cpu time spent up to now is 469.3 secs Computing kpt #: 235 total cpu time spent up to now is 470.7 secs Computing kpt #: 236 total cpu time spent up to now is 472.2 secs Computing kpt #: 237 total cpu time spent up to now is 474.3 secs Computing kpt #: 238 total cpu time spent up to now is 476.1 secs Computing kpt #: 239 total cpu time spent up to now is 477.6 secs Computing kpt #: 240 total cpu time spent up to now is 479.1 secs Computing kpt #: 241 total cpu time spent up to now is 480.6 secs Computing kpt #: 242 total cpu time spent up to now is 482.1 secs Computing kpt #: 243 total cpu time spent up to now is 483.6 secs Computing kpt #: 244 total cpu time spent up to now is 485.2 secs Computing kpt #: 245 total cpu time spent up to now is 486.7 secs Computing kpt #: 246 total cpu time spent up to now is 488.4 secs Computing kpt #: 247 total cpu time spent up to now is 489.9 secs Computing kpt #: 248 total cpu time spent up to now is 491.4 secs Computing kpt #: 249 total cpu time spent up to now is 492.9 secs Computing kpt #: 250 total cpu time spent up to now is 494.6 secs Computing kpt #: 251 total cpu time spent up to now is 496.2 secs Computing kpt #: 252 total cpu time spent up to now is 497.6 secs Computing kpt #: 253 total cpu time spent up to now is 499.2 secs Computing kpt #: 254 total cpu time spent up to now is 500.9 secs Computing kpt #: 255 total cpu time spent up to now is 502.3 secs Computing kpt #: 256 total cpu time spent up to now is 503.7 secs Computing kpt #: 257 total cpu time spent up to now is 505.2 secs Computing kpt #: 258 total cpu time spent up to now is 506.9 secs Computing kpt #: 259 total cpu time spent up to now is 508.7 secs Computing kpt #: 260 total cpu time spent up to now is 510.4 secs Computing kpt #: 261 total cpu time spent up to now is 511.8 secs Computing kpt #: 262 total cpu time spent up to now is 513.4 secs Computing kpt #: 263 total cpu time spent up to now is 514.8 secs Computing kpt #: 264 total cpu time spent up to now is 516.2 secs Computing kpt #: 265 total cpu time spent up to now is 517.7 secs Computing kpt #: 266 total cpu time spent up to now is 519.4 secs Computing kpt #: 267 total cpu time spent up to now is 520.9 secs Computing kpt #: 268 total cpu time spent up to now is 522.3 secs Computing kpt #: 269 total cpu time spent up to now is 523.8 secs Computing kpt #: 270 total cpu time spent up to now is 525.4 secs Computing kpt #: 271 total cpu time spent up to now is 527.0 secs Computing kpt #: 272 total cpu time spent up to now is 528.9 secs Computing kpt #: 273 total cpu time spent up to now is 530.9 secs Computing kpt #: 274 total cpu time spent up to now is 532.5 secs Computing kpt #: 275 total cpu time spent up to now is 534.5 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.6 secs Computing kpt #: 277 total cpu time spent up to now is 540.3 secs Computing kpt #: 278 total cpu time spent up to now is 542.6 secs Computing kpt #: 279 total cpu time spent up to now is 544.9 secs Computing kpt #: 280 total cpu time spent up to now is 546.8 secs Computing kpt #: 281 total cpu time spent up to now is 548.4 secs Computing kpt #: 282 total cpu time spent up to now is 550.0 secs Computing kpt #: 283 total cpu time spent up to now is 551.8 secs Computing kpt #: 284 total cpu time spent up to now is 553.2 secs Computing kpt #: 285 total cpu time spent up to now is 554.6 secs Computing kpt #: 286 total cpu time spent up to now is 556.1 secs Computing kpt #: 287 total cpu time spent up to now is 557.6 secs Computing kpt #: 288 total cpu time spent up to now is 559.0 secs Computing kpt #: 289 total cpu time spent up to now is 560.4 secs Computing kpt #: 290 total cpu time spent up to now is 561.7 secs Computing kpt #: 291 total cpu time spent up to now is 563.3 secs Computing kpt #: 292 total cpu time spent up to now is 564.8 secs Computing kpt #: 293 total cpu time spent up to now is 566.3 secs Computing kpt #: 294 total cpu time spent up to now is 567.7 secs Computing kpt #: 295 total cpu time spent up to now is 569.3 secs Computing kpt #: 296 total cpu time spent up to now is 570.8 secs Computing kpt #: 297 total cpu time spent up to now is 572.4 secs Computing kpt #: 298 total cpu time spent up to now is 574.0 secs Computing kpt #: 299 total cpu time spent up to now is 576.0 secs Computing kpt #: 300 total cpu time spent up to now is 577.6 secs Computing kpt #: 301 total cpu time spent up to now is 579.2 secs Computing kpt #: 302 total cpu time spent up to now is 581.0 secs Computing kpt #: 303 total cpu time spent up to now is 582.6 secs Computing kpt #: 304 total cpu time spent up to now is 584.0 secs Computing kpt #: 305 total cpu time spent up to now is 585.4 secs Computing kpt #: 306 total cpu time spent up to now is 587.1 secs Computing kpt #: 307 total cpu time spent up to now is 588.8 secs Computing kpt #: 308 total cpu time spent up to now is 590.1 secs Computing kpt #: 309 total cpu time spent up to now is 591.5 secs Computing kpt #: 310 total cpu time spent up to now is 593.2 secs Computing kpt #: 311 total cpu time spent up to now is 594.6 secs Computing kpt #: 312 total cpu time spent up to now is 596.0 secs Computing kpt #: 313 total cpu time spent up to now is 597.3 secs Computing kpt #: 314 total cpu time spent up to now is 599.0 secs Computing kpt #: 315 total cpu time spent up to now is 600.4 secs Computing kpt #: 316 total cpu time spent up to now is 601.8 secs Computing kpt #: 317 total cpu time spent up to now is 603.2 secs Computing kpt #: 318 total cpu time spent up to now is 604.7 secs Computing kpt #: 319 total cpu time spent up to now is 606.8 secs Computing kpt #: 320 total cpu time spent up to now is 609.2 secs Computing kpt #: 321 total cpu time spent up to now is 611.5 secs Computing kpt #: 322 total cpu time spent up to now is 614.1 secs Computing kpt #: 323 total cpu time spent up to now is 616.4 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.3 secs Computing kpt #: 325 total cpu time spent up to now is 621.7 secs Computing kpt #: 326 total cpu time spent up to now is 624.0 secs Computing kpt #: 327 total cpu time spent up to now is 625.8 secs Computing kpt #: 328 total cpu time spent up to now is 627.6 secs Computing kpt #: 329 total cpu time spent up to now is 629.3 secs Computing kpt #: 330 total cpu time spent up to now is 631.2 secs Computing kpt #: 331 total cpu time spent up to now is 632.8 secs Computing kpt #: 332 total cpu time spent up to now is 634.4 secs Computing kpt #: 333 total cpu time spent up to now is 635.9 secs Computing kpt #: 334 total cpu time spent up to now is 637.4 secs Computing kpt #: 335 total cpu time spent up to now is 638.9 secs Computing kpt #: 336 total cpu time spent up to now is 640.5 secs Computing kpt #: 337 total cpu time spent up to now is 642.3 secs Computing kpt #: 338 total cpu time spent up to now is 643.8 secs Computing kpt #: 339 total cpu time spent up to now is 645.2 secs Computing kpt #: 340 total cpu time spent up to now is 646.7 secs Computing kpt #: 341 total cpu time spent up to now is 648.3 secs Computing kpt #: 342 total cpu time spent up to now is 649.8 secs Computing kpt #: 343 total cpu time spent up to now is 651.2 secs Computing kpt #: 344 total cpu time spent up to now is 652.8 secs Computing kpt #: 345 total cpu time spent up to now is 654.5 secs Computing kpt #: 346 total cpu time spent up to now is 655.9 secs Computing kpt #: 347 total cpu time spent up to now is 657.4 secs Computing kpt #: 348 total cpu time spent up to now is 658.9 secs Computing kpt #: 349 total cpu time spent up to now is 660.3 secs Computing kpt #: 350 total cpu time spent up to now is 661.9 secs Computing kpt #: 351 total cpu time spent up to now is 663.4 secs Computing kpt #: 352 total cpu time spent up to now is 664.9 secs Computing kpt #: 353 total cpu time spent up to now is 666.3 secs ethr = 3.33E-11, avg # of iterations = 48.6 total cpu time spent up to now is 666.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0446 -0.0446 4.8911 4.8911 4.8911 4.8911 5.0881 5.0881 5.6897 5.6897 5.6897 5.6897 6.7285 6.7285 10.1977 10.1977 10.2296 10.2296 10.2296 10.2296 13.4619 13.4619 13.4849 13.4849 13.5502 13.5502 13.5502 13.5502 k = 0.0094-0.0054 0.0077 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0434 -0.0434 4.8882 4.8882 4.8936 4.8936 5.0879 5.0879 5.6861 5.6861 5.6933 5.6933 6.7288 6.7288 10.1930 10.1930 10.2259 10.2259 10.2279 10.2279 13.4596 13.4596 13.4901 13.4901 13.5420 13.5420 13.5579 13.5579 k = 0.0189-0.0109 0.0154 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0396 -0.0396 4.8844 4.8844 4.8962 4.8962 5.0871 5.0871 5.6824 5.6824 5.6969 5.6969 6.7298 6.7298 10.1781 10.1781 10.2158 10.2158 10.2227 10.2227 13.4420 13.4420 13.5041 13.5041 13.5353 13.5353 13.5755 13.5755 k = 0.0283-0.0163 0.0231 ( 3699 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0334 -0.0334 4.8792 4.8792 4.8992 4.8992 5.0861 5.0861 5.6786 5.6786 5.7004 5.7004 6.7317 6.7317 10.1526 10.1526 10.1971 10.1971 10.2172 10.2172 13.3908 13.3908 13.5245 13.5245 13.5503 13.5503 13.6042 13.6042 k = 0.0377-0.0218 0.0308 ( 3699 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0248 -0.0248 4.8722 4.8722 4.9029 4.9029 5.0852 5.0852 5.6744 5.6744 5.7037 5.7037 6.7347 6.7347 10.1175 10.1175 10.1699 10.1699 10.2112 10.2112 13.3096 13.3096 13.5526 13.5526 13.5842 13.5842 13.6434 13.6434 k = 0.0472-0.0272 0.0385 ( 3699 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2016 -89.2016 -89.2014 -89.2014 -89.2014 -89.2014 -0.0136 -0.0136 4.8631 4.8631 4.9073 4.9073 5.0848 5.0848 5.6692 5.6692 5.7070 5.7070 6.7391 6.7391 10.0740 10.0740 10.1345 10.1345 10.2040 10.2040 13.2062 13.2062 13.5894 13.5894 13.6302 13.6302 13.6925 13.6925 k = 0.0566-0.0327 0.0462 ( 3699 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2017 -89.2017 -89.2014 -89.2014 -89.2014 -89.2014 -0.0000 -0.0000 4.8519 4.8519 4.9126 4.9126 5.0853 5.0853 5.6625 5.6625 5.7104 5.7104 6.7452 6.7452 10.0232 10.0232 10.0917 10.0917 10.1955 10.1955 13.0856 13.0856 13.6345 13.6345 13.6860 13.6860 13.7506 13.7506 k = 0.0660-0.0381 0.0539 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2313 -89.2313 -89.2018 -89.2018 -89.2014 -89.2014 -89.2014 -89.2014 0.0160 0.0160 4.8383 4.8383 4.9187 4.9187 5.0869 5.0869 5.6537 5.6537 5.7142 5.7142 6.7533 6.7533 9.9659 9.9659 10.0420 10.0420 10.1853 10.1853 12.9516 12.9516 13.6875 13.6875 13.7505 13.7505 13.8169 13.8169 k = 0.0755-0.0436 0.0616 ( 3691 PWs) bands (ev): -90.5586 -90.5586 -89.2312 -89.2312 -89.2019 -89.2019 -89.2014 -89.2014 -89.2014 -89.2014 0.0346 0.0346 4.8225 4.8225 4.9257 4.9257 5.0900 5.0900 5.6420 5.6420 5.7185 5.7185 6.7639 6.7639 9.9031 9.9031 9.9862 9.9862 10.1731 10.1731 12.8072 12.8072 13.7479 13.7479 13.8227 13.8227 13.8905 13.8905 k = 0.0849-0.0490 0.0693 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2311 -89.2311 -89.2020 -89.2020 -89.2014 -89.2014 -89.2014 -89.2014 0.0556 0.0556 4.8045 4.8045 4.9334 4.9334 5.0945 5.0945 5.6271 5.6271 5.7237 5.7237 6.7771 6.7771 9.8354 9.8354 9.9250 9.9250 10.1586 10.1586 12.6553 12.6553 13.8154 13.8154 13.9018 13.9018 13.9705 13.9705 k = 0.0943-0.0545 0.0770 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2309 -89.2309 -89.2021 -89.2021 -89.2014 -89.2014 -89.2014 -89.2014 0.0790 0.0790 4.7846 4.7846 4.9420 4.9420 5.1007 5.1007 5.6087 5.6087 5.7297 5.7297 6.7932 6.7932 9.7635 9.7635 9.8590 9.8590 10.1415 10.1415 12.4982 12.4982 13.8895 13.8895 13.9869 13.9869 14.0562 14.0562 k = 0.1038-0.0599 0.0847 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2308 -89.2308 -89.2022 -89.2022 -89.2014 -89.2014 -89.2014 -89.2014 0.1048 0.1048 4.7631 4.7631 4.9513 4.9513 5.1084 5.1084 5.5867 5.5867 5.7366 5.7366 6.8122 6.8122 9.6881 9.6881 9.7890 9.7890 10.1214 10.1214 12.3381 12.3381 13.9697 13.9697 14.0775 14.0775 14.1468 14.1468 k = 0.1132-0.0654 0.0924 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2306 -89.2306 -89.2024 -89.2024 -89.2014 -89.2014 -89.2014 -89.2014 0.1331 0.1331 4.7402 4.7402 4.9612 4.9612 5.1176 5.1176 5.5611 5.5611 5.7444 5.7444 6.8343 6.8343 9.6098 9.6098 9.7155 9.7155 10.0976 10.0976 12.1769 12.1769 14.0557 14.0557 14.1727 14.1727 14.2415 14.2415 k = 0.1226-0.0708 0.1001 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2305 -89.2305 -89.2025 -89.2025 -89.2014 -89.2014 -89.2014 -89.2014 0.1638 0.1638 4.7162 4.7162 4.9716 4.9716 5.1283 5.1283 5.5322 5.5322 5.7530 5.7530 6.8594 6.8594 9.5289 9.5289 9.6390 9.6390 10.0695 10.0695 12.0164 12.0164 14.1469 14.1469 14.2717 14.2717 14.3396 14.3396 k = 0.1321-0.0763 0.1078 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2303 -89.2303 -89.2027 -89.2027 -89.2014 -89.2014 -89.2014 -89.2014 0.1969 0.1969 4.6912 4.6912 4.9824 4.9824 5.1404 5.1404 5.5004 5.5004 5.7625 5.7625 6.8874 6.8874 9.4460 9.4460 9.5602 9.5602 10.0362 10.0362 11.8584 11.8584 14.2431 14.2431 14.3741 14.3741 14.4406 14.4406 k = 0.1415-0.0817 0.1155 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2301 -89.2301 -89.2029 -89.2029 -89.2014 -89.2014 -89.2014 -89.2014 0.2324 0.2324 4.6656 4.6656 4.9934 4.9934 5.1538 5.1538 5.4661 5.4661 5.7727 5.7727 6.9181 6.9181 9.3615 9.3615 9.4793 9.4793 9.9967 9.9967 11.7046 11.7046 14.3438 14.3438 14.4790 14.4790 14.5438 14.5438 k = 0.1509-0.0871 0.1232 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2299 -89.2299 -89.2031 -89.2031 -89.2014 -89.2014 -89.2014 -89.2014 0.2702 0.2702 4.6395 4.6395 5.0040 5.0040 5.1686 5.1686 5.4301 5.4301 5.7837 5.7837 6.9513 6.9513 9.2757 9.2757 9.3968 9.3968 9.9498 9.9498 11.5569 11.5569 14.4485 14.4485 14.5860 14.5860 14.6485 14.6485 k = 0.1604-0.0926 0.1309 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2297 -89.2297 -89.2033 -89.2033 -89.2014 -89.2014 -89.2014 -89.2014 0.3104 0.3104 4.6131 4.6131 5.0137 5.0137 5.1845 5.1845 5.3933 5.3933 5.7953 5.7953 6.9869 6.9869 9.1888 9.1888 9.3131 9.3131 9.8943 9.8943 11.4171 11.4171 14.5569 14.5569 14.6943 14.6943 14.7542 14.7542 k = 0.1698-0.0980 0.1387 ( 3659 PWs) bands (ev): -90.5586 -90.5586 -89.2295 -89.2295 -89.2035 -89.2035 -89.2014 -89.2014 -89.2014 -89.2014 0.3530 0.3530 4.5865 4.5865 5.0215 5.0215 5.2017 5.2017 5.3572 5.3572 5.8076 5.8076 7.0246 7.0246 9.1012 9.1012 9.2283 9.2283 9.8289 9.8289 11.2868 11.2868 14.6686 14.6686 14.8033 14.8033 14.8603 14.8603 k = 0.1792-0.1035 0.1464 ( 3659 PWs) bands (ev): -90.5586 -90.5586 -89.2293 -89.2293 -89.2038 -89.2038 -89.2014 -89.2014 -89.2014 -89.2014 0.3978 0.3978 4.5599 4.5599 5.0258 5.0258 5.2199 5.2199 5.3236 5.3236 5.8204 5.8204 7.0642 7.0642 9.0131 9.0131 9.1428 9.1428 9.7524 9.7524 11.1676 11.1676 14.7832 14.7832 14.9124 14.9124 14.9661 14.9661 k = 0.1887-0.1089 0.1541 ( 3651 PWs) bands (ev): -90.5586 -90.5586 -89.2290 -89.2290 -89.2040 -89.2040 -89.2014 -89.2014 -89.2014 -89.2014 0.4449 0.4449 4.5333 4.5333 5.0241 5.0241 5.2391 5.2391 5.2955 5.2955 5.8338 5.8338 7.1056 7.1056 8.9246 8.9246 9.0569 9.0569 9.6644 9.6644 11.0604 11.0604 14.9002 14.9002 15.0211 15.0211 15.0710 15.0710 k = 0.1981-0.1144 0.1618 ( 3651 PWs) bands (ev): -90.5586 -90.5586 -89.2288 -89.2288 -89.2043 -89.2043 -89.2014 -89.2014 -89.2014 -89.2014 0.4943 0.4943 4.5069 4.5069 5.0137 5.0137 5.2572 5.2572 5.2778 5.2778 5.8476 5.8476 7.1484 7.1484 8.8360 8.8360 8.9706 8.9706 9.5648 9.5648 10.9656 10.9656 15.0189 15.0189 15.1284 15.1284 15.1730 15.1730 k = 0.2075-0.1198 0.1695 ( 3647 PWs) bands (ev): -90.5586 -90.5586 -89.2285 -89.2285 -89.2045 -89.2045 -89.2014 -89.2014 -89.2014 -89.2014 0.5460 0.5460 4.4808 4.4808 4.9929 4.9929 5.2611 5.2611 5.2858 5.2858 5.8619 5.8619 7.1925 7.1925 8.7473 8.7473 8.8843 8.8843 9.4542 9.4542 10.8827 10.8827 15.1372 15.1372 15.2258 15.2258 15.2435 15.2435 k = 0.2170-0.1253 0.1772 ( 3647 PWs) bands (ev): -90.5586 -90.5586 -89.2282 -89.2282 -89.2048 -89.2048 -89.2014 -89.2014 -89.2014 -89.2014 0.5999 0.5999 4.4549 4.4549 4.9619 4.9619 5.2627 5.2627 5.3075 5.3075 5.8765 5.8765 7.2377 7.2377 8.6586 8.6586 8.7980 8.7980 9.3340 9.3340 10.8108 10.8108 15.2307 15.2307 15.2823 15.2823 15.3416 15.3416 k = 0.2264-0.1307 0.1849 ( 3635 PWs) bands (ev): -90.5586 -90.5586 -89.2279 -89.2279 -89.2051 -89.2051 -89.2014 -89.2014 -89.2014 -89.2014 0.6559 0.6559 4.4295 4.4295 4.9232 4.9232 5.2713 5.2713 5.3313 5.3313 5.8914 5.8914 7.2839 7.2839 8.5701 8.5701 8.7118 8.7118 9.2058 9.2058 10.7487 10.7487 15.2623 15.2623 15.3930 15.3930 15.4454 15.4454 k = 0.2358-0.1362 0.1926 ( 3647 PWs) bands (ev): -90.5586 -90.5586 -89.2276 -89.2276 -89.2054 -89.2054 -89.2014 -89.2014 -89.2014 -89.2014 0.7140 0.7140 4.4044 4.4044 4.8790 4.8790 5.2857 5.2857 5.3564 5.3564 5.9066 5.9066 7.3307 7.3307 8.4818 8.4818 8.6260 8.6260 9.0713 9.0713 10.6947 10.6947 15.2848 15.2848 15.5073 15.5073 15.5534 15.5534 k = 0.2453-0.1416 0.2003 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2273 -89.2273 -89.2057 -89.2057 -89.2014 -89.2014 -89.2014 -89.2014 0.7743 0.7743 4.3798 4.3798 4.8312 4.8312 5.3043 5.3043 5.3827 5.3827 5.9220 5.9220 7.3780 7.3780 8.3936 8.3936 8.5405 8.5405 8.9325 8.9325 10.6474 10.6474 15.3068 15.3068 15.6096 15.6096 15.6576 15.6580 k = 0.2547-0.1471 0.2080 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2270 -89.2270 -89.2060 -89.2060 -89.2014 -89.2014 -89.2014 -89.2014 0.8366 0.8366 4.3557 4.3557 4.7812 4.7812 5.3260 5.3260 5.4101 5.4101 5.9376 5.9376 7.4255 7.4255 8.3055 8.3055 8.4555 8.4555 8.7912 8.7912 10.6056 10.6056 15.3294 15.3294 15.7011 15.7011 15.7428 15.7428 k = 0.2642-0.1525 0.2157 ( 3643 PWs) bands (ev): -90.5586 -90.5586 -89.2267 -89.2267 -89.2063 -89.2063 -89.2014 -89.2014 -89.2014 -89.2014 0.9009 0.9009 4.3319 4.3319 4.7299 4.7299 5.3502 5.3502 5.4386 5.4386 5.9533 5.9533 7.4729 7.4729 8.2172 8.2172 8.3711 8.3711 8.6490 8.6490 10.5681 10.5681 15.3526 15.3526 15.7855 15.7855 15.8237 15.8237 k = 0.2736-0.1580 0.2234 ( 3643 PWs) bands (ev): -90.5586 -90.5586 -89.2264 -89.2264 -89.2067 -89.2067 -89.2014 -89.2014 -89.2014 -89.2014 0.9671 0.9671 4.3086 4.3086 4.6777 4.6777 5.3764 5.3764 5.4681 5.4681 5.9690 5.9690 7.5199 7.5199 8.1286 8.1286 8.2873 8.2873 8.5079 8.5079 10.5340 10.5340 15.3766 15.3766 15.8643 15.8643 15.8999 15.8999 k = 0.2830-0.1634 0.2311 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2260 -89.2260 -89.2070 -89.2070 -89.2014 -89.2014 -89.2014 -89.2014 1.0353 1.0353 4.2856 4.2856 4.6253 4.6253 5.4044 5.4044 5.4987 5.4987 5.9848 5.9848 7.5657 7.5657 8.0388 8.0388 8.2040 8.2040 8.3700 8.3700 10.5026 10.5026 15.4014 15.4014 15.9378 15.9378 15.9716 15.9716 k = 0.2925-0.1688 0.2388 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2257 -89.2257 -89.2074 -89.2074 -89.2014 -89.2014 -89.2014 -89.2014 1.1052 1.1052 4.2627 4.2627 4.5731 4.5731 5.4339 5.4339 5.5304 5.5304 6.0005 6.0005 7.6093 7.6093 7.9470 7.9470 8.1212 8.1212 8.2386 8.2386 10.4733 10.4733 15.4269 15.4269 16.0064 16.0064 16.0386 16.0386 k = 0.3019-0.1743 0.2465 ( 3651 PWs) bands (ev): -90.5586 -90.5586 -89.2253 -89.2253 -89.2077 -89.2077 -89.2014 -89.2014 -89.2014 -89.2014 1.1769 1.1769 4.2397 4.2397 4.5214 4.5214 5.4649 5.4649 5.5630 5.5630 6.0162 6.0162 7.6483 7.6483 7.8514 7.8514 8.0381 8.0381 8.1188 8.1188 10.4457 10.4457 15.4533 15.4533 16.0704 16.0704 16.1012 16.1012 k = 0.3113-0.1797 0.2542 ( 3651 PWs) bands (ev): -90.5586 -90.5586 -89.2249 -89.2249 -89.2081 -89.2081 -89.2014 -89.2014 -89.2014 -89.2014 1.2503 1.2503 4.2162 4.2162 4.4708 4.4708 5.4972 5.4972 5.5966 5.5966 6.0317 6.0317 7.6761 7.6761 7.7512 7.7512 7.9545 7.9545 8.0190 8.0190 10.4194 10.4194 15.4803 15.4803 16.1301 16.1301 16.1595 16.1595 k = 0.3208-0.1852 0.2619 ( 3659 PWs) bands (ev): -90.5586 -90.5586 -89.2246 -89.2246 -89.2085 -89.2085 -89.2014 -89.2014 -89.2014 -89.2014 1.3252 1.3252 4.1918 4.1918 4.4218 4.4218 5.5308 5.5308 5.6312 5.6312 6.0472 6.0472 7.6346 7.6346 7.6907 7.6907 7.8733 7.8733 7.9506 7.9506 10.3942 10.3942 15.5080 15.5080 16.1857 16.1857 16.2137 16.2137 k = 0.3302-0.1906 0.2696 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2242 -89.2242 -89.2088 -89.2088 -89.2014 -89.2014 -89.2014 -89.2014 1.4016 1.4016 4.1656 4.1656 4.3755 4.3755 5.5655 5.5655 5.6667 5.6667 6.0624 6.0624 7.5215 7.5215 7.6579 7.6579 7.7969 7.7969 7.9262 7.9262 10.3699 10.3699 15.5362 15.5362 16.2376 16.2376 16.2642 16.2642 k = 0.3396-0.1961 0.2773 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2238 -89.2238 -89.2092 -89.2092 -89.2014 -89.2014 -89.2014 -89.2014 1.4793 1.4793 4.1365 4.1365 4.3327 4.3327 5.6014 5.6014 5.7030 5.7030 6.0775 6.0775 7.4027 7.4027 7.5973 7.5973 7.7215 7.7215 7.9391 7.9391 10.3463 10.3463 15.5650 15.5650 16.2859 16.2859 16.3110 16.3110 k = 0.3491-0.2015 0.2850 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2234 -89.2234 -89.2096 -89.2096 -89.2014 -89.2014 -89.2014 -89.2014 1.5583 1.5583 4.1035 4.1035 4.2946 4.2946 5.6385 5.6385 5.7401 5.7401 6.0925 6.0925 7.2831 7.2831 7.5257 7.5257 7.6464 7.6464 7.9693 7.9693 10.3233 10.3233 15.5941 15.5941 16.3308 16.3308 16.3545 16.3545 k = 0.3585-0.2070 0.2927 ( 3663 PWs) bands (ev): -90.5586 -90.5586 -89.2230 -89.2230 -89.2100 -89.2100 -89.2014 -89.2014 -89.2014 -89.2014 1.6383 1.6383 4.0657 4.0657 4.2619 4.2619 5.6765 5.6765 5.7779 5.7779 6.1073 6.1073 7.1649 7.1649 7.4514 7.4514 7.5718 7.5718 8.0059 8.0059 10.3010 10.3010 15.6234 15.6234 16.3726 16.3726 16.3948 16.3948 k = 0.3679-0.2124 0.3004 ( 3663 PWs) bands (ev): -90.5586 -90.5586 -89.2226 -89.2226 -89.2104 -89.2104 -89.2014 -89.2014 -89.2014 -89.2014 1.7191 1.7191 4.0232 4.0232 4.2346 4.2346 5.7156 5.7156 5.8162 5.8162 6.1221 6.1221 7.0500 7.0500 7.3771 7.3771 7.4980 7.4980 8.0447 8.0447 10.2793 10.2793 15.6527 15.6527 16.4114 16.4114 16.4321 16.4321 k = 0.3774-0.2179 0.3081 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2222 -89.2222 -89.2108 -89.2108 -89.2014 -89.2014 -89.2014 -89.2014 1.8006 1.8006 3.9765 3.9765 4.2122 4.2122 5.7556 5.7556 5.8548 5.8548 6.1370 6.1370 6.9394 6.9394 7.3038 7.3038 7.4253 7.4253 8.0839 8.0839 10.2582 10.2582 15.6819 15.6819 16.4473 16.4473 16.4666 16.4666 k = 0.3868-0.2233 0.3158 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2218 -89.2218 -89.2113 -89.2113 -89.2014 -89.2014 -89.2014 -89.2014 1.8826 1.8826 3.9264 3.9264 4.1937 4.1937 5.7964 5.7964 5.8935 5.8935 6.1522 6.1522 6.8341 6.8341 7.2317 7.2317 7.3537 7.3537 8.1224 8.1224 10.2378 10.2378 15.7108 15.7108 16.4804 16.4804 16.4984 16.4984 k = 0.3962-0.2288 0.3235 ( 3655 PWs) bands (ev): -90.5586 -90.5586 -89.2213 -89.2213 -89.2117 -89.2117 -89.2014 -89.2014 -89.2014 -89.2014 1.9646 1.9646 3.8737 3.8737 4.1784 4.1784 5.8380 5.8380 5.9318 5.9318 6.1681 6.1681 6.7351 6.7351 7.1610 7.1610 7.2832 7.2832 8.1596 8.1596 10.2182 10.2182 15.7391 15.7391 16.5107 16.5107 16.5275 16.5275 k = 0.4057-0.2342 0.3312 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2209 -89.2209 -89.2121 -89.2121 -89.2014 -89.2014 -89.2014 -89.2014 2.0464 2.0464 3.8191 3.8191 4.1655 4.1655 5.8800 5.8800 5.9690 5.9690 6.1853 6.1853 6.6430 6.6430 7.0917 7.0917 7.2140 7.2140 8.1950 8.1950 10.1996 10.1996 15.7665 15.7665 16.5384 16.5384 16.5539 16.5539 k = 0.4151-0.2397 0.3389 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2205 -89.2205 -89.2125 -89.2125 -89.2014 -89.2014 -89.2014 -89.2014 2.1276 2.1276 3.7631 3.7631 4.1546 4.1546 5.9222 5.9222 6.0043 6.0043 6.2045 6.2045 6.5587 6.5587 7.0241 7.0241 7.1460 7.1460 8.2283 8.2283 10.1819 10.1819 15.7928 15.7928 16.5635 16.5635 16.5779 16.5779 k = 0.4245-0.2451 0.3466 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2200 -89.2200 -89.2130 -89.2130 -89.2014 -89.2014 -89.2014 -89.2014 2.2075 2.2075 3.7063 3.7063 4.1455 4.1455 5.9641 5.9641 6.0366 6.0366 6.2266 6.2266 6.4832 6.4832 6.9582 6.9582 7.0794 7.0794 8.2591 8.2591 10.1655 10.1655 15.8177 15.8177 16.5860 16.5860 16.5993 16.5993 k = 0.4340-0.2505 0.3543 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2196 -89.2196 -89.2134 -89.2134 -89.2014 -89.2014 -89.2014 -89.2014 2.2855 2.2855 3.6492 3.6492 4.1378 4.1378 6.0047 6.0047 6.0647 6.0647 6.2527 6.2527 6.4178 6.4178 6.8941 6.8941 7.0143 7.0143 8.2872 8.2872 10.1504 10.1504 15.8407 15.8407 16.6058 16.6058 16.6181 16.6181 k = 0.4434-0.2560 0.3620 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2192 -89.2192 -89.2138 -89.2138 -89.2014 -89.2014 -89.2014 -89.2014 2.3606 2.3606 3.5928 3.5928 4.1314 4.1314 6.0423 6.0423 6.0880 6.0880 6.2831 6.2831 6.3647 6.3647 6.8323 6.8323 6.9507 6.9507 8.3122 8.3122 10.1369 10.1369 15.8616 15.8616 16.6231 16.6231 16.6345 16.6345 k = 0.4528-0.2614 0.3697 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 2.4315 2.4315 3.5380 3.5380 4.1262 4.1262 6.0736 6.0736 6.1063 6.1063 6.3135 6.3135 6.3310 6.3310 6.7732 6.7732 6.8889 6.8889 8.3338 8.3338 10.1250 10.1250 15.8799 15.8799 16.6377 16.6377 16.6483 16.6483 k = 0.4623-0.2669 0.3774 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2183 -89.2183 -89.2147 -89.2147 -89.2014 -89.2014 -89.2014 -89.2014 2.4965 2.4965 3.4866 3.4866 4.1221 4.1221 6.0938 6.0938 6.1203 6.1203 6.3061 6.3061 6.3579 6.3579 6.7178 6.7178 6.8291 6.8291 8.3519 8.3519 10.1151 10.1151 15.8955 15.8955 16.6497 16.6497 16.6597 16.6597 k = 0.4717-0.2723 0.3851 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2178 -89.2178 -89.2152 -89.2152 -89.2014 -89.2014 -89.2014 -89.2014 2.5529 2.5529 3.4408 3.4408 4.1190 4.1190 6.1005 6.1005 6.1303 6.1303 6.3100 6.3100 6.3958 6.3958 6.6684 6.6684 6.7718 6.7718 8.3662 8.3662 10.1072 10.1072 15.9080 15.9080 16.6591 16.6591 16.6685 16.6685 k = 0.4811-0.2778 0.3928 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2174 -89.2174 -89.2156 -89.2156 -89.2014 -89.2014 -89.2014 -89.2014 2.5976 2.5976 3.4038 3.4038 4.1167 4.1167 6.0982 6.0982 6.1367 6.1368 6.3291 6.3291 6.4301 6.4301 6.6298 6.6298 6.7183 6.7183 8.3766 8.3766 10.1014 10.1014 15.9171 15.9171 16.6657 16.6657 16.6748 16.6748 k = 0.4906-0.2832 0.4005 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2170 -89.2170 -89.2161 -89.2161 -89.2014 -89.2014 -89.2014 -89.2014 2.6268 2.6268 3.3793 3.3793 4.1154 4.1154 6.0938 6.0938 6.1404 6.1404 6.3514 6.3514 6.4523 6.4523 6.6120 6.6120 6.6715 6.6715 8.3828 8.3828 10.0979 10.0979 15.9226 15.9226 16.6698 16.6698 16.6786 16.6786 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6369 2.6369 3.3707 3.3707 4.1150 4.1150 6.0919 6.0919 6.1416 6.1416 6.3620 6.3620 6.4581 6.4581 6.6157 6.6157 6.6452 6.6452 8.3849 8.3849 10.0967 10.0967 15.9245 15.9245 16.6711 16.6711 16.6799 16.6799 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6369 2.6369 3.3707 3.3707 4.1150 4.1150 6.0919 6.0919 6.1416 6.1416 6.3620 6.3620 6.4581 6.4581 6.6157 6.6157 6.6452 6.6452 8.3849 8.3849 10.0967 10.0967 15.9245 15.9245 16.6711 16.6711 16.6799 16.6799 k = 0.5000-0.2780 0.4158 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6380 2.6381 3.3706 3.3712 4.1141 4.1151 6.0758 6.0866 6.1343 6.1409 6.3371 6.3642 6.4551 6.4784 6.6129 6.6218 6.6445 6.6728 8.3873 8.3910 10.0971 10.0987 15.9106 15.9108 16.6613 16.6614 16.6807 16.6820 k = 0.5000-0.2673 0.4234 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6415 2.6417 3.3710 3.3720 4.1125 4.1143 6.0345 6.0538 6.1279 6.1355 6.3114 6.3530 6.4626 6.4927 6.6215 6.6232 6.6693 6.7244 8.3981 8.4055 10.0997 10.1030 15.8711 15.8713 16.6225 16.6252 16.6933 16.6935 k = 0.5000-0.2566 0.4309 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6472 2.6476 3.3717 3.3732 4.1101 4.1128 5.9716 5.9913 6.1248 6.1331 6.2972 6.3417 6.4715 6.4957 6.6193 6.6279 6.7248 6.7866 8.4176 8.4285 10.1046 10.1096 15.8107 15.8107 16.5607 16.5651 16.7105 16.7116 k = 0.5000-0.2459 0.4385 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6553 2.6557 3.3727 3.3747 4.1069 4.1105 5.8944 5.9107 6.1233 6.1330 6.2910 6.3333 6.4799 6.4953 6.6164 6.6292 6.7915 6.8523 8.4460 8.4600 10.1117 10.1184 15.7341 15.7346 16.4796 16.4850 16.7298 16.7314 k = 0.5000-0.2352 0.4460 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6656 2.6662 3.3741 3.3766 4.1031 4.1075 5.8086 5.8210 6.1227 6.1339 6.2888 6.3277 6.4879 6.4948 6.6130 6.6293 6.8594 6.9174 8.4835 8.5002 10.1209 10.1294 15.6463 15.6474 16.3824 16.3885 16.7490 16.7509 k = 0.5000-0.2245 0.4536 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6782 2.6788 3.3758 3.3789 4.0985 4.1038 5.7177 5.7267 6.1227 6.1353 6.2887 6.3240 6.4950 6.4955 6.6094 6.6288 6.9244 6.9793 8.5303 8.5492 10.1321 10.1425 15.5508 15.5530 16.2724 16.2788 16.7671 16.7691 k = 0.5000-0.2138 0.4612 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6930 2.6938 3.3779 3.3815 4.0934 4.0995 5.6238 5.6303 6.1231 6.1368 6.2895 6.3214 6.4961 6.5030 6.6056 6.6277 6.9849 7.0365 8.5863 8.6068 10.1451 10.1575 15.4505 15.4539 16.1522 16.1586 16.7837 16.7858 k = 0.5000-0.2031 0.4687 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.7099 2.7108 3.3803 3.3843 4.0877 4.0946 5.5286 5.5331 6.1238 6.1383 6.2910 6.3196 6.4982 6.5105 6.6017 6.6262 7.0398 7.0881 8.6512 8.6728 10.1599 10.1745 15.3474 15.3523 16.0242 16.0303 16.7989 16.8009 k = 0.5000-0.1925 0.4763 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.7290 2.7300 3.3829 3.3875 4.0815 4.0892 5.4329 5.4360 6.1249 6.1399 6.2928 6.3183 6.5011 6.5178 6.5979 6.6243 7.0888 7.1338 8.7245 8.7468 10.1763 10.1931 15.2432 15.2498 15.8903 15.8960 16.8130 16.8148 k = 0.5000-0.1818 0.4838 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.7501 2.7512 3.3858 3.3909 4.0749 4.0834 5.3376 5.3396 6.1263 6.1414 6.2949 6.3171 6.5047 6.5249 6.5943 6.6221 7.1320 7.1735 8.8055 8.8279 10.1941 10.2132 15.1391 15.1477 15.7520 15.7572 16.8261 16.8277 k = 0.5000-0.1711 0.4914 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.7732 2.7744 3.3888 3.3945 4.0680 4.0772 5.2433 5.2444 6.1279 6.1428 6.2972 6.3161 6.5090 6.5315 6.5913 6.6196 7.1695 7.2076 8.8932 8.9154 10.2130 10.2347 15.0361 15.0469 15.6110 15.6155 16.8385 16.8399 k = 0.5000-0.1604 0.4990 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.7981 2.7995 3.3921 3.3982 4.0608 4.0707 5.1503 5.1508 6.1297 6.1441 6.2996 6.3152 6.5138 6.5373 6.5892 6.6169 7.2018 7.2365 8.9865 9.0083 10.2330 10.2572 14.9351 14.9483 15.4683 15.4721 16.8503 16.8515 k = 0.5000-0.1497 0.5065 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.8247 2.8262 3.3955 3.4021 4.0535 4.0640 5.0592 5.0592 6.1317 6.1453 6.3020 6.3142 6.5191 6.5419 6.5884 6.6140 7.2293 7.2607 9.0843 9.1055 10.2537 10.2806 14.8369 14.8526 15.3253 15.3281 16.8617 16.8626 k = 0.5000-0.1390 0.5141 ( 3688 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.8530 2.8546 3.3989 3.4061 4.0461 4.0572 4.9699 4.9703 6.1338 6.1464 6.3044 6.3133 6.5246 6.5448 6.5893 6.6111 7.2526 7.2808 9.1853 9.2057 10.2748 10.3045 14.7420 14.7606 15.1831 15.1849 16.8727 16.8733 k = 0.5000-0.1283 0.5217 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.8825 2.8843 3.4024 3.4101 4.0387 4.0504 4.8833 4.8840 6.1360 6.1474 6.3068 6.3123 6.5303 6.5458 6.5922 6.6080 7.2722 7.2974 9.2882 9.3078 10.2962 10.3287 14.6510 14.6726 15.0430 15.0435 16.8833 16.8836 k = 0.5000-0.1176 0.5292 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.9133 2.9152 3.4060 3.4141 4.0314 4.0437 4.7998 4.8007 6.1382 6.1482 6.3092 6.3113 6.5361 6.5453 6.5965 6.6050 7.2886 7.3110 9.3917 9.4105 10.3175 10.3528 14.5644 14.5894 14.9051 14.9060 16.8935 16.8936 k = 0.5000-0.1069 0.5368 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.9448 2.9469 3.4094 3.4180 4.0244 4.0371 4.7197 4.7208 6.1404 6.1489 6.3102 6.3114 6.5419 6.5439 6.6018 6.6021 7.3022 7.3221 9.4945 9.5124 10.3384 10.3765 14.4825 14.5114 14.7708 14.7737 16.9032 16.9033 k = 0.5000-0.0962 0.5443 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.9769 2.9791 3.4128 3.4218 4.0177 4.0308 4.6436 4.6448 6.1426 6.1495 6.3092 6.3134 6.5420 6.5475 6.5992 6.6074 7.3135 7.3310 9.5950 9.6122 10.3586 10.3995 14.4057 14.4391 14.6421 14.6476 16.9122 16.9126 k = 0.5000-0.0855 0.5519 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.0089 3.0113 3.4159 3.4254 4.0113 4.0248 4.5719 4.5731 6.1447 6.1500 6.3083 6.3154 6.5398 6.5528 6.5964 6.6130 7.3227 7.3382 9.6918 9.7082 10.3777 10.4215 14.3340 14.3729 14.5204 14.5295 16.9208 16.9213 k = 0.5000-0.0748 0.5595 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.0405 3.0430 3.4189 3.4287 4.0055 4.0193 4.5052 4.5066 6.1466 6.1503 6.3073 6.3171 6.5377 6.5579 6.5938 6.6184 7.3302 7.3439 9.7833 9.7990 10.3956 10.4419 14.2669 14.3132 14.4072 14.4218 16.9286 16.9293 k = 0.5000-0.0642 0.5670 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.0708 3.0735 3.4216 3.4318 4.0002 4.0142 4.4443 4.4458 6.1484 6.1506 6.3065 6.3186 6.5358 6.5625 6.5914 6.6234 7.3363 7.3483 9.8677 9.8829 10.4118 10.4605 14.2035 14.2599 14.3046 14.3277 16.9357 16.9366 k = 0.5000-0.0535 0.5746 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.0991 3.1019 3.4240 3.4345 3.9956 4.0098 4.3902 4.3917 6.1500 6.1509 6.3057 6.3200 6.5340 6.5666 6.5892 6.6278 7.3410 7.3518 9.9434 9.9580 10.4260 10.4770 14.1422 14.2058 14.2220 14.2507 16.9419 16.9429 k = 0.5000-0.0428 0.5821 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1244 3.1274 3.4260 3.4367 3.9918 4.0060 4.3436 4.3452 6.1510 6.1513 6.3051 6.3211 6.5325 6.5703 6.5872 6.6315 7.3447 7.3544 10.0086 10.0227 10.4381 10.4909 14.0837 14.1322 14.1801 14.1924 16.9472 16.9483 k = 0.5000-0.0321 0.5897 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1456 3.1488 3.4276 3.4385 3.9887 4.0029 4.3058 4.3075 6.1512 6.1523 6.3046 6.3219 6.5313 6.5734 6.5854 6.6344 7.3475 7.3563 10.0615 10.0752 10.4477 10.5021 14.0319 14.0698 14.1501 14.1508 16.9514 16.9526 k = 0.5000-0.0214 0.5973 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1618 3.1651 3.4288 3.4398 3.9865 4.0006 4.2778 4.2796 6.1512 6.1531 6.3042 6.3226 6.5305 6.5761 6.5837 6.6366 7.3493 7.3576 10.1006 10.1140 10.4547 10.5103 13.9916 14.0238 14.1229 14.1288 16.9545 16.9558 k = 0.5000-0.0107 0.6048 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1720 3.1753 3.4295 3.4406 3.9851 3.9992 4.2605 4.2625 6.1513 6.1536 6.3040 6.3229 6.5300 6.5783 6.5821 6.6379 7.3504 7.3583 10.1246 10.1378 10.4590 10.5152 13.9662 13.9956 14.1067 14.1159 16.9564 16.9577 k = 0.5000-0.0000 0.6124 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1754 3.1788 3.4298 3.4409 3.9847 3.9988 4.2547 4.2566 6.1513 6.1537 6.3039 6.3231 6.5298 6.5797 6.5808 6.6383 7.3508 7.3585 10.1327 10.1458 10.4604 10.5169 13.9576 13.9861 14.1014 14.1116 16.9570 16.9583 k = 0.5000-0.0000 0.6124 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1754 3.1788 3.4298 3.4409 3.9847 3.9988 4.2547 4.2566 6.1513 6.1537 6.3039 6.3231 6.5298 6.5797 6.5808 6.6383 7.3508 7.3585 10.1327 10.1458 10.4604 10.5169 13.9576 13.9861 14.1014 14.1116 16.9570 16.9583 k = 0.4934 0.0114 0.6124 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2167 -89.2167 -89.2163 -89.2163 -89.2014 -89.2014 -89.2014 -89.2014 3.1721 3.1754 3.4292 3.4404 3.9784 3.9939 4.2641 4.2699 6.1454 6.1542 6.3041 6.3223 6.5252 6.5793 6.5886 6.6415 7.3517 7.3595 10.1163 10.1274 10.4747 10.5288 13.9605 13.9900 14.1024 14.1157 16.9548 16.9567 k = 0.4868 0.0228 0.6124 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2169 -89.2169 -89.2161 -89.2161 -89.2014 -89.2014 -89.2014 -89.2014 3.1636 3.1669 3.4267 3.4382 3.9616 3.9795 4.2945 4.3038 6.1329 6.1501 6.3043 6.3200 6.5181 6.5761 6.6090 6.6500 7.3545 7.3622 10.0711 10.0781 10.5118 10.5607 13.9679 14.0017 14.1057 14.1285 16.9485 16.9516 k = 0.4803 0.0342 0.6124 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2171 -89.2171 -89.2159 -89.2159 -89.2014 -89.2014 -89.2014 -89.2014 3.1520 3.1553 3.4214 3.4334 3.9391 3.9587 4.3412 4.3521 6.1154 6.1406 6.3025 6.3163 6.5148 6.5733 6.6345 6.6628 7.3590 7.3668 10.0055 10.0093 10.5608 10.6047 13.9774 14.0196 14.1137 14.1498 16.9386 16.9432 k = 0.4737 0.0456 0.6124 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2173 -89.2173 -89.2157 -89.2157 -89.2014 -89.2014 -89.2014 -89.2014 3.1388 3.1420 3.4135 3.4261 3.9145 3.9352 4.3988 4.4101 6.0939 6.1258 6.2965 6.3123 6.5167 6.5732 6.6621 6.6797 7.3653 7.3730 9.9263 9.9292 10.6145 10.6543 13.9880 14.0399 14.1299 14.1794 16.9253 16.9318 k = 0.4671 0.0570 0.6124 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2175 -89.2175 -89.2155 -89.2155 -89.2014 -89.2014 -89.2014 -89.2014 3.1248 3.1279 3.4034 3.4165 3.8902 3.9114 4.4632 4.4744 6.0692 6.1061 6.2862 6.3076 6.5224 6.5770 6.6876 6.7036 7.3735 7.3810 9.8381 9.8419 10.6691 10.7055 13.9990 14.0577 14.1581 14.2168 16.9090 16.9178 k = 0.4605 0.0684 0.6124 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2177 -89.2177 -89.2154 -89.2154 -89.2014 -89.2014 -89.2014 -89.2014 3.1105 3.1135 3.3917 3.4051 3.8671 3.8886 4.5318 4.5426 6.0419 6.0820 6.2737 6.3013 6.5300 6.5848 6.7101 6.7348 7.3836 7.3909 9.7443 9.7492 10.7229 10.7563 14.0105 14.0713 14.1987 14.2613 16.8905 16.9018 k = 0.4539 0.0798 0.6124 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2178 -89.2178 -89.2152 -89.2152 -89.2014 -89.2014 -89.2014 -89.2014 3.0964 3.0992 3.3788 3.3926 3.8458 3.8673 4.6030 4.6131 6.0123 6.0538 6.2605 6.2930 6.5382 6.5958 6.7334 6.7692 7.3957 7.4027 9.6472 9.6530 10.7746 10.8053 14.0223 14.0822 14.2488 14.3116 16.8702 16.8843 k = 0.4474 0.0912 0.6124 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2179 -89.2179 -89.2151 -89.2151 -89.2014 -89.2014 -89.2014 -89.2014 3.0828 3.0855 3.3653 3.3793 3.8266 3.8480 4.6753 4.6848 5.9807 6.0219 6.2477 6.2830 6.5465 6.6084 6.7585 6.8048 7.4102 7.4167 9.5482 9.5546 10.8237 10.8518 14.0345 14.0919 14.3055 14.3665 16.8491 16.8660 k = 0.4408 0.1026 0.6124 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2181 -89.2181 -89.2149 -89.2149 -89.2014 -89.2014 -89.2014 -89.2014 3.0699 3.0723 3.3518 3.3659 3.8094 3.8307 4.7479 4.7567 5.9473 5.9870 6.2357 6.2721 6.5549 6.6210 6.7854 6.8408 7.4271 7.4332 9.4486 9.4555 10.8695 10.8951 14.0469 14.1013 14.3663 14.4246 16.8280 16.8478 k = 0.4342 0.1140 0.6124 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2182 -89.2182 -89.2148 -89.2148 -89.2014 -89.2014 -89.2014 -89.2014 3.0578 3.0600 3.3386 3.3527 3.7942 3.8153 4.8200 4.8282 5.9121 5.9495 6.2248 6.2607 6.5630 6.6329 6.8132 6.8762 7.4467 7.4522 9.3498 9.3570 10.9119 10.9350 14.0595 14.1105 14.4295 14.4845 16.8077 16.8303 k = 0.4276 0.1253 0.6124 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2183 -89.2183 -89.2147 -89.2147 -89.2014 -89.2014 -89.2014 -89.2014 3.0466 3.0487 3.3260 3.3400 3.7810 3.8019 4.8910 4.8984 5.8754 5.9098 6.2152 6.2493 6.5708 6.6435 6.8411 6.9101 7.4691 7.4739 9.2531 9.2604 10.9504 10.9710 14.0719 14.1195 14.4934 14.5444 16.7892 16.8144 k = 0.4211 0.1367 0.6124 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2184 -89.2184 -89.2146 -89.2146 -89.2014 -89.2014 -89.2014 -89.2014 3.0365 3.0384 3.3143 3.3283 3.7696 3.7903 4.9602 4.9669 5.8373 5.8685 6.2067 6.2385 6.5781 6.6528 6.8679 6.9416 7.4941 7.4983 9.1599 9.1672 10.9850 11.0031 14.0841 14.1283 14.5561 14.6029 16.7732 16.8007 k = 0.4145 0.1481 0.6124 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2185 -89.2185 -89.2145 -89.2145 -89.2014 -89.2014 -89.2014 -89.2014 3.0276 3.0294 3.3038 3.3178 3.7600 3.7804 5.0271 5.0330 5.7981 5.8259 6.1995 6.2286 6.5846 6.6607 6.8927 6.9699 7.5215 7.5249 9.0717 9.0790 11.0153 11.0310 14.0956 14.1366 14.6159 14.6581 16.7607 16.7898 k = 0.4079 0.1595 0.6124 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2186 -89.2186 -89.2145 -89.2145 -89.2014 -89.2014 -89.2014 -89.2014 3.0199 3.0215 3.2947 3.3085 3.7520 3.7722 5.0908 5.0960 5.7583 5.7829 6.1936 6.2197 6.5903 6.6673 6.9147 6.9945 7.5502 7.5528 8.9905 8.9976 11.0414 11.0547 14.1061 14.1442 14.6712 14.7083 16.7519 16.7819 k = 0.4013 0.1709 0.6124 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2186 -89.2186 -89.2144 -89.2144 -89.2014 -89.2014 -89.2014 -89.2014 3.0135 3.0150 3.2871 3.3008 3.7455 3.7656 5.1503 5.1548 5.7188 5.7403 6.1889 6.2121 6.5951 6.6726 6.9332 7.0148 7.5788 7.5805 8.9185 8.9254 11.0630 11.0740 14.1153 14.1508 14.7201 14.7519 16.7472 16.7769 k = 0.3947 0.1823 0.6124 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2144 -89.2144 -89.2014 -89.2014 -89.2014 -89.2014 3.0085 3.0099 3.2810 3.2947 3.7406 3.7605 5.2039 5.2076 5.6812 5.6999 6.1854 6.2060 6.5988 6.6767 6.9478 7.0306 7.6052 7.6061 8.8581 8.8648 11.0801 11.0888 14.1229 14.1562 14.7609 14.7871 16.7461 16.7744 k = 0.3882 0.1937 0.6124 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0049 3.0062 3.2767 3.2903 3.7371 3.7569 5.2487 5.2517 5.6481 5.6644 6.1829 6.2015 6.6015 6.6796 6.9583 7.0419 7.6268 7.6271 8.8121 8.8186 11.0926 11.0992 14.1285 14.1602 14.7919 14.8127 16.7474 16.7734 k = 0.3816 0.2051 0.6124 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0027 3.0040 3.2740 3.2876 3.7350 3.7547 5.2802 5.2820 5.6243 5.6388 6.1815 6.1987 6.6032 6.6813 6.9647 7.0486 7.6408 7.6412 8.7832 8.7895 11.1003 11.1053 14.1320 14.1627 14.8116 14.8280 16.7495 16.7732 k = 0.3750 0.2165 0.6124 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.3750 0.2165 0.6124 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.3683 0.2126 0.6014 ( 3665 PWs) bands (ev): -90.5586 -90.5586 -89.2189 -89.2189 -89.2141 -89.2141 -89.2014 -89.2014 -89.2014 -89.2014 3.0141 3.0155 3.2461 3.2591 3.7186 3.7381 5.3068 5.3077 5.5939 5.6087 6.1641 6.1844 6.6189 6.7094 6.9552 7.0508 7.7246 7.7254 8.7500 8.7552 11.2330 11.2364 14.0210 14.0533 14.7304 14.7441 16.7023 16.7273 k = 0.3616 0.2088 0.5905 ( 3661 PWs) bands (ev): -90.5586 -90.5586 -89.2192 -89.2192 -89.2138 -89.2138 -89.2014 -89.2014 -89.2014 -89.2014 3.0014 3.0036 3.2360 3.2476 3.7106 3.7296 5.3242 5.3276 5.5765 5.5913 6.1462 6.1701 6.6327 6.7385 6.9418 7.0520 7.8046 7.8066 8.7218 8.7263 11.3665 11.3691 13.9095 13.9438 14.6464 14.6592 16.6518 16.6791 k = 0.3549 0.2049 0.5796 ( 3665 PWs) bands (ev): -90.5586 -90.5586 -89.2194 -89.2194 -89.2136 -89.2136 -89.2014 -89.2014 -89.2014 -89.2014 2.9594 2.9624 3.2489 3.2589 3.7091 3.7277 5.3424 5.3499 5.5653 5.5784 6.1276 6.1552 6.6446 6.7687 6.9269 7.0553 7.8862 7.8895 8.6894 8.6934 11.5024 11.5041 13.7989 13.8352 14.5667 14.5786 16.5994 16.6287 k = 0.3482 0.2010 0.5686 ( 3665 PWs) bands (ev): -90.5586 -90.5586 -89.2197 -89.2197 -89.2133 -89.2133 -89.2014 -89.2014 -89.2014 -89.2014 2.8964 2.8998 3.2783 3.2873 3.7129 3.7311 5.3577 5.3715 5.5632 5.5722 6.1085 6.1397 6.6535 6.7991 6.9117 7.0617 7.9694 7.9738 8.6534 8.6573 11.6396 11.6405 13.6892 13.7273 14.4914 14.5024 16.5456 16.5769 k = 0.3415 0.1972 0.5577 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2199 -89.2199 -89.2131 -89.2131 -89.2014 -89.2014 -89.2014 -89.2014 2.8213 2.8247 3.3165 3.3252 3.7208 3.7390 5.3662 5.3885 5.5736 5.5761 6.0890 6.1236 6.6587 6.8262 6.8998 7.0721 8.0541 8.0598 8.6142 8.6185 11.7771 11.7772 13.5804 13.6205 14.4205 14.4306 16.4908 16.5238 k = 0.3348 0.1933 0.5468 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2202 -89.2202 -89.2128 -89.2128 -89.2014 -89.2014 -89.2014 -89.2014 2.7392 2.7424 3.3596 3.3683 3.7321 3.7506 5.3666 5.3976 5.5929 5.5976 6.0693 6.1071 6.6597 6.8373 6.9038 7.0869 8.1402 8.1472 8.5725 8.5776 11.9131 11.9138 13.4727 13.5146 14.3543 14.3635 16.4354 16.4700 k = 0.3281 0.1894 0.5358 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2205 -89.2205 -89.2125 -89.2125 -89.2014 -89.2014 -89.2014 -89.2014 2.6529 2.6558 3.4057 3.4147 3.7463 3.7653 5.3600 5.3984 5.6222 5.6334 6.0498 6.0902 6.6563 6.8259 6.9304 7.1067 8.2273 8.2362 8.5287 8.5355 12.0472 12.0487 13.3661 13.4098 14.2929 14.3012 16.3795 16.4157 k = 0.3214 0.1856 0.5249 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2208 -89.2208 -89.2122 -89.2122 -89.2014 -89.2014 -89.2014 -89.2014 2.5640 2.5667 3.4536 3.4631 3.7631 3.7830 5.3491 5.3933 5.6610 5.6780 6.0308 6.0730 6.6486 6.8051 6.9667 7.1312 8.3143 8.3264 8.4834 8.4938 12.1784 12.1807 13.2607 13.3061 14.2365 14.2439 16.3236 16.3611 k = 0.3147 0.1817 0.5140 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2211 -89.2211 -89.2120 -89.2120 -89.2014 -89.2014 -89.2014 -89.2014 2.4736 2.4760 3.5026 3.5128 3.7824 3.8034 5.3358 5.3848 5.7055 5.7291 6.0132 6.0556 6.6369 6.7806 7.0067 7.1603 8.3899 8.4151 8.4400 8.4642 12.3056 12.3088 13.1564 13.2035 14.1853 14.1920 16.2678 16.3066 k = 0.3080 0.1778 0.5030 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2214 -89.2214 -89.2117 -89.2117 -89.2014 -89.2014 -89.2014 -89.2014 2.3824 2.3846 3.5520 3.5631 3.8042 3.8265 5.3214 5.3746 5.7522 5.7850 5.9986 6.0383 6.6218 6.7539 7.0493 7.1937 8.3859 8.3880 8.5131 8.5153 12.4275 12.4317 13.0534 13.1022 14.1398 14.1457 16.2124 16.2523 k = 0.3013 0.1740 0.4921 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2217 -89.2217 -89.2114 -89.2114 -89.2014 -89.2014 -89.2014 -89.2014 2.2910 2.2929 3.6013 3.6134 3.8287 3.8525 5.3065 5.3637 5.7961 5.8443 5.9906 6.0214 6.6039 6.7256 7.0937 7.2308 8.3404 8.3452 8.6046 8.6078 12.5429 12.5482 12.9518 13.0023 14.1003 14.1054 16.1574 16.1984 k = 0.2946 0.1701 0.4811 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2220 -89.2220 -89.2111 -89.2111 -89.2014 -89.2014 -89.2014 -89.2014 2.1997 2.2014 3.6500 3.6628 3.8564 3.8816 5.2915 5.3526 5.8289 5.9047 5.9962 6.0064 6.5838 6.6962 7.1399 7.2714 8.2927 8.3015 8.6991 8.7041 12.6503 12.6570 12.8515 12.9039 14.0673 14.0716 16.1031 16.1451 k = 0.2879 0.1662 0.4702 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2223 -89.2223 -89.2108 -89.2108 -89.2014 -89.2014 -89.2014 -89.2014 2.1089 2.1104 3.6973 3.7106 3.8876 3.9142 5.2768 5.3417 5.8427 5.9537 6.0050 6.0227 6.5625 6.6659 7.1877 7.3150 8.2455 8.2578 8.7959 8.8019 12.7458 12.7495 12.7599 12.8098 14.0413 14.0447 16.0496 16.0924 k = 0.2812 0.1624 0.4593 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2226 -89.2226 -89.2104 -89.2104 -89.2014 -89.2014 -89.2014 -89.2014 2.0188 2.0201 3.7428 3.7560 3.9231 3.9504 5.2625 5.3311 5.8396 5.9559 6.0521 6.0667 6.5408 6.6352 7.2368 7.3614 8.1992 8.2152 8.8944 8.9010 12.6548 12.7075 12.8406 12.8466 14.0227 14.0252 15.9969 16.0406 k = 0.2746 0.1585 0.4483 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2229 -89.2229 -89.2101 -89.2101 -89.2014 -89.2014 -89.2014 -89.2014 1.9296 1.9308 3.7860 3.7983 3.9631 3.9905 5.2486 5.3209 5.8275 5.9415 6.1165 6.1184 6.5206 6.6048 7.2873 7.4102 8.1544 8.1744 8.9945 9.0016 12.5589 12.6141 12.9168 12.9249 14.0118 14.0133 15.9453 15.9897 k = 0.2679 0.1546 0.4374 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2232 -89.2232 -89.2098 -89.2098 -89.2014 -89.2014 -89.2014 -89.2014 1.8416 1.8426 3.8268 3.8374 4.0076 4.0342 5.2353 5.3112 5.8115 5.9249 6.1701 6.1820 6.5044 6.5759 7.3390 7.4613 8.1117 8.1362 9.0961 9.1034 12.4646 12.5214 12.9819 12.9912 14.0087 14.0091 15.8947 15.9397 k = 0.2612 0.1508 0.4265 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2235 -89.2235 -89.2095 -89.2095 -89.2014 -89.2014 -89.2014 -89.2014 1.7548 1.7557 3.8656 3.8737 4.0559 4.0813 5.2225 5.3019 5.7936 5.9080 6.2143 6.2440 6.4974 6.5511 7.3916 7.5143 8.0719 8.1013 9.1991 9.2065 12.3719 12.4302 13.0352 13.0454 14.0119 14.0127 15.8452 15.8909 k = 0.2545 0.1469 0.4155 ( 3663 PWs) bands (ev): -90.5586 -90.5586 -89.2238 -89.2238 -89.2092 -89.2092 -89.2014 -89.2014 -89.2014 -89.2014 1.6694 1.6702 3.9025 3.9080 4.1071 4.1310 5.2103 5.2930 5.7751 5.8911 6.2426 6.2956 6.5066 6.5364 7.4448 7.5689 8.0357 8.0706 9.3034 9.3108 12.2809 12.3408 13.0772 13.0881 14.0206 14.0228 15.7969 15.8432 k = 0.2478 0.1430 0.4046 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2242 -89.2241 -89.2089 -89.2089 -89.2014 -89.2014 -89.2014 -89.2014 1.5855 1.5862 3.9382 3.9409 4.1603 4.1827 5.1986 5.2845 5.7564 5.8744 6.2499 6.3257 6.5358 6.5424 7.4985 7.6246 8.0044 8.0451 9.4089 9.4161 12.1918 12.2531 13.1090 13.1205 14.0339 14.0375 15.7499 15.7967 k = 0.2411 0.1392 0.3937 ( 3661 PWs) bands (ev): -90.5586 -90.5586 -89.2245 -89.2245 -89.2085 -89.2085 -89.2014 -89.2014 -89.2014 -89.2014 1.5031 1.5038 3.9729 3.9730 4.2146 4.2357 5.1876 5.2763 5.7381 5.8579 6.2396 6.3274 6.5749 6.5810 7.5520 7.6804 7.9797 8.0263 9.5156 9.5224 12.1047 12.1675 13.1322 13.1442 14.0497 14.0548 15.7041 15.7514 k = 0.2344 0.1353 0.3827 ( 3663 PWs) bands (ev): -90.5586 -90.5586 -89.2248 -89.2248 -89.2082 -89.2082 -89.2014 -89.2014 -89.2014 -89.2014 1.4225 1.4231 4.0047 4.0072 4.2694 4.2895 5.1772 5.2683 5.7202 5.8418 6.2184 6.3091 6.6248 6.6344 7.6048 7.7345 7.9645 8.0157 9.6232 9.6296 12.0197 12.0840 13.1485 13.1609 14.0663 14.0727 15.6596 15.7074 k = 0.2277 0.1315 0.3718 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2251 -89.2251 -89.2079 -89.2079 -89.2014 -89.2014 -89.2014 -89.2014 1.3435 1.3441 4.0362 4.0411 4.3242 4.3436 5.1674 5.2605 5.7032 5.8262 6.1911 6.2808 6.6809 6.6900 7.6562 7.7832 7.9637 8.0152 9.7316 9.7373 11.9370 12.0028 13.1597 13.1725 14.0819 14.0896 15.6165 15.6647 k = 0.2210 0.1276 0.3609 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2254 -89.2254 -89.2076 -89.2076 -89.2014 -89.2014 -89.2014 -89.2014 1.2664 1.2669 4.0678 4.0750 4.3785 4.3974 5.1583 5.2527 5.6870 5.8109 6.1602 6.2480 6.7366 6.7440 7.7061 7.8215 7.9835 8.0262 9.8407 9.8455 11.8568 11.9243 13.1672 13.1804 14.0953 14.1040 15.5747 15.6233 k = 0.2143 0.1237 0.3499 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2257 -89.2257 -89.2073 -89.2073 -89.2014 -89.2014 -89.2014 -89.2014 1.1912 1.1916 4.0994 4.1089 4.4320 4.4506 5.1498 5.2450 5.6720 5.7962 6.1275 6.2131 6.7884 6.7936 7.7547 7.8496 8.0251 8.0499 9.9500 9.9537 11.7794 11.8488 13.1724 13.1859 14.1054 14.1148 15.5342 15.5833 k = 0.2076 0.1199 0.3390 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2260 -89.2260 -89.2070 -89.2070 -89.2014 -89.2014 -89.2014 -89.2014 1.1178 1.1182 4.1313 4.1429 4.4842 4.5029 5.1421 5.2371 5.6582 5.7819 6.0936 6.1772 6.8337 6.8366 7.8037 7.8751 8.0820 8.0859 10.0593 10.0615 11.7053 11.7768 13.1762 13.1902 14.1116 14.1215 15.4952 15.5446 k = 0.2009 0.1160 0.3281 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2263 -89.2263 -89.2067 -89.2067 -89.2014 -89.2014 -89.2014 -89.2014 1.0464 1.0467 4.1634 4.1770 4.5348 4.5539 5.1351 5.2291 5.6457 5.7681 6.0594 6.1413 6.8711 6.8717 7.8553 7.9056 8.1327 8.1478 10.1679 10.1682 11.6350 11.7089 13.1796 13.1939 14.1136 14.1235 15.4575 15.5074 k = 0.1942 0.1121 0.3171 ( 3689 PWs) bands (ev): -90.5586 -90.5586 -89.2266 -89.2266 -89.2064 -89.2064 -89.2014 -89.2014 -89.2014 -89.2014 0.9770 0.9773 4.1958 4.2114 4.5833 4.6032 5.1291 5.2208 5.6347 5.7547 6.0251 6.1056 6.8981 6.8999 7.9121 7.9448 8.1883 8.2190 10.2728 10.2749 11.5695 11.6462 13.1831 13.1979 14.1112 14.1209 15.4211 15.4715 k = 0.1875 0.1083 0.3062 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2269 -89.2269 -89.2061 -89.2061 -89.2014 -89.2014 -89.2014 -89.2014 0.9097 0.9099 4.2283 4.2459 4.6294 4.6506 5.1240 5.2123 5.6253 5.7419 5.9912 6.0708 6.9158 6.9201 7.9755 7.9939 8.2506 8.2941 10.3741 10.3790 11.5101 11.5899 13.1872 13.2024 14.1046 14.1136 15.3862 15.4370 k = 0.1808 0.1044 0.2953 ( 3687 PWs) bands (ev): -90.5586 -90.5586 -89.2272 -89.2272 -89.2058 -89.2058 -89.2014 -89.2014 -89.2014 -89.2014 0.8444 0.8447 4.2610 4.2806 4.6726 4.6958 5.1201 5.2034 5.6175 5.7296 5.9581 6.0372 6.9257 6.9323 8.0461 8.0527 8.3183 8.3722 10.4697 10.4781 11.4589 11.5423 13.1924 13.2080 14.0939 14.1020 15.3526 15.4039 k = 0.1741 0.1005 0.2843 ( 3687 PWs) bands (ev): -90.5586 -90.5586 -89.2275 -89.2275 -89.2055 -89.2055 -89.2014 -89.2014 -89.2014 -89.2014 0.7813 0.7815 4.2939 4.3154 4.7124 4.7384 5.1173 5.1942 5.6113 5.7179 5.9259 6.0050 6.9289 6.9377 8.1202 8.1237 8.3901 8.4528 10.5569 10.5689 11.4191 11.5063 13.1988 13.2148 14.0795 14.0863 15.3205 15.3723 k = 0.1674 0.0967 0.2734 ( 3665 PWs) bands (ev): -90.5586 -90.5586 -89.2278 -89.2278 -89.2052 -89.2052 -89.2014 -89.2014 -89.2014 -89.2014 0.7203 0.7205 4.3270 4.3502 4.7484 4.7781 5.1160 5.1846 5.6067 5.7067 5.8950 5.9745 6.9266 6.9375 8.1953 8.2075 8.4654 8.5358 10.6313 10.6464 11.3958 11.4861 13.2067 13.2231 14.0617 14.0670 15.2896 15.3420 k = 0.1607 0.0928 0.2624 ( 3665 PWs) bands (ev): -90.5586 -90.5586 -89.2281 -89.2281 -89.2050 -89.2050 -89.2014 -89.2014 -89.2014 -89.2014 0.6615 0.6617 4.3600 4.3851 4.7802 4.8147 5.1161 5.1748 5.6036 5.6961 5.8656 5.9461 6.9201 6.9328 8.2766 8.2966 8.5437 8.6207 10.6881 10.7045 11.3949 11.4864 13.2161 13.2329 14.0411 14.0445 15.2602 15.3131 k = 0.1540 0.0889 0.2515 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2283 -89.2283 -89.2047 -89.2047 -89.2014 -89.2014 -89.2014 -89.2014 0.6049 0.6051 4.3931 4.4199 4.8075 4.8479 5.1175 5.1648 5.6021 5.6864 5.8380 5.9198 6.9106 6.9248 8.3629 8.3901 8.6244 8.7075 10.7237 10.7383 11.4216 11.5110 13.2272 13.2444 14.0179 14.0193 15.2321 15.2856 k = 0.1473 0.0851 0.2406 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2286 -89.2286 -89.2044 -89.2044 -89.2014 -89.2014 -89.2014 -89.2014 0.5506 0.5507 4.4261 4.4546 4.8301 4.8775 5.1202 5.1547 5.6019 5.6776 5.8125 5.8959 6.8990 6.9143 8.4531 8.4870 8.7074 8.7959 10.7376 10.7474 11.4759 11.5603 13.2400 13.2575 13.9918 13.9927 15.2055 15.2594 k = 0.1406 0.0812 0.2296 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2288 -89.2288 -89.2042 -89.2042 -89.2014 -89.2014 -89.2014 -89.2014 0.4985 0.4985 4.4589 4.4890 4.8482 4.9032 5.1237 5.1446 5.6030 5.6699 5.7891 5.8742 6.8861 6.9022 8.5465 8.5864 8.7922 8.8855 10.7328 10.7367 11.5530 11.6311 13.2544 13.2723 13.9625 13.9658 15.1801 15.2346 k = 0.1339 0.0773 0.2187 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2291 -89.2291 -89.2039 -89.2039 -89.2014 -89.2014 -89.2014 -89.2014 0.4486 0.4487 4.4916 4.5231 4.8621 4.9249 5.1275 5.1348 5.6051 5.6636 5.7681 5.8549 6.8724 6.8890 8.6423 8.6878 8.8787 8.9761 10.7127 10.7144 11.6463 11.7184 13.2703 13.2885 13.9319 13.9377 15.1562 15.2109 k = 0.1272 0.0735 0.2078 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2293 -89.2293 -89.2037 -89.2037 -89.2014 -89.2014 -89.2014 -89.2014 0.4011 0.4012 4.5238 4.5567 4.8723 4.9425 5.1252 5.1309 5.6080 5.6589 5.7496 5.8378 6.8586 6.8752 8.7398 8.7903 8.9666 9.0674 10.6807 10.6870 11.7505 11.8173 13.2876 13.3061 13.9003 13.9088 15.1336 15.1882 k = 0.1205 0.0696 0.1968 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2295 -89.2295 -89.2035 -89.2035 -89.2014 -89.2014 -89.2014 -89.2014 0.3559 0.3560 4.5557 4.5898 4.8794 4.9560 5.1163 5.1334 5.6116 5.6559 5.7337 5.8227 6.8449 6.8612 8.8387 8.8936 9.0555 9.1590 10.6444 10.6542 11.8615 11.9241 13.3060 13.3248 13.8682 13.8794 15.1124 15.1655 k = 0.1138 0.0657 0.1859 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2297 -89.2297 -89.2033 -89.2033 -89.2014 -89.2014 -89.2014 -89.2014 0.3130 0.3131 4.5870 4.6220 4.8840 4.9656 5.1080 5.1344 5.6157 5.6546 5.7203 5.8095 6.8316 6.8473 8.9385 8.9971 9.1451 9.2504 10.6060 10.6184 11.9771 12.0363 13.3254 13.3444 13.8359 13.8499 15.0926 15.1396 k = 0.1071 0.0619 0.1750 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2299 -89.2299 -89.2031 -89.2031 -89.2014 -89.2014 -89.2014 -89.2014 0.2725 0.2726 4.6177 4.6534 4.8868 4.9714 5.1006 5.1338 5.6200 5.6550 5.7094 5.7978 6.8189 6.8337 9.0387 9.1003 9.2350 9.3412 10.5672 10.5813 12.0956 12.1520 13.3452 13.3646 13.8038 13.8206 15.0741 15.0878 k = 0.1004 0.0580 0.1640 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2301 -89.2301 -89.2029 -89.2029 -89.2014 -89.2014 -89.2014 -89.2014 0.2344 0.2344 4.6475 4.6836 4.8882 4.9738 5.0942 5.1315 5.6244 5.6569 5.7008 5.7875 6.8070 6.8207 9.1391 9.2029 9.3248 9.4309 10.5288 10.5440 12.2155 12.2698 13.3653 13.3849 13.7721 13.7918 14.9761 15.0487 k = 0.0938 0.0541 0.1531 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2303 -89.2303 -89.2027 -89.2027 -89.2014 -89.2014 -89.2014 -89.2014 0.1987 0.1987 4.6764 4.7125 4.8885 4.9733 5.0887 5.1278 5.6287 5.6600 5.6942 5.7782 6.7960 6.8083 9.2392 9.3043 9.4139 9.5188 10.4915 10.5072 12.3361 12.3885 13.3850 13.4051 13.7412 13.7638 14.8391 14.9125 k = 0.0871 0.0503 0.1422 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2305 -89.2305 -89.2025 -89.2025 -89.2014 -89.2014 -89.2014 -89.2014 0.1653 0.1653 4.7042 4.7399 4.8882 4.9703 5.0842 5.1228 5.6331 5.6638 5.6894 5.7699 6.7859 6.7967 9.3386 9.4042 9.5018 9.6045 10.4558 10.4717 12.4565 12.5071 13.4041 13.4246 13.7112 13.7368 14.6953 14.7664 k = 0.0804 0.0464 0.1312 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2307 -89.2307 -89.2024 -89.2024 -89.2014 -89.2014 -89.2014 -89.2014 0.1344 0.1344 4.7307 4.7654 4.8874 4.9656 5.0805 5.1171 5.6373 5.6681 5.6860 5.7623 6.7767 6.7860 9.4369 9.5022 9.5878 9.6874 10.4219 10.4377 12.5758 12.6248 13.4219 13.4430 13.6826 13.7109 14.5509 14.6189 k = 0.0737 0.0425 0.1203 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2308 -89.2308 -89.2022 -89.2022 -89.2014 -89.2014 -89.2014 -89.2014 0.1059 0.1059 4.7557 4.7889 4.8864 4.9596 5.0779 5.1111 5.6415 5.6726 5.6838 5.7551 6.7684 6.7762 9.5335 9.5975 9.6714 9.7667 10.3903 10.4055 12.6932 12.7405 13.4381 13.4598 13.6553 13.6863 14.4090 14.4735 k = 0.0670 0.0387 0.1094 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2309 -89.2309 -89.2021 -89.2021 -89.2014 -89.2014 -89.2014 -89.2014 0.0799 0.0799 4.7789 4.8101 4.8854 4.9527 5.0761 5.1051 5.6457 5.6770 5.6825 5.7484 6.7611 6.7673 9.6277 9.6896 9.7518 9.8418 10.3610 10.3755 12.8078 12.8531 13.4523 13.4747 13.6298 13.6633 14.2720 14.3327 k = 0.0603 0.0348 0.0984 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2311 -89.2311 -89.2020 -89.2020 -89.2014 -89.2014 -89.2014 -89.2014 0.0563 0.0563 4.8002 4.8289 4.8843 4.9454 5.0754 5.0996 5.6499 5.6810 5.6817 5.7419 6.7546 6.7594 9.7187 9.7777 9.8284 9.9121 10.3343 10.3479 12.9186 12.9616 13.4643 13.4873 13.6061 13.6418 14.1416 14.1982 k = 0.0536 0.0309 0.0875 ( 3689 PWs) bands (ev): -90.5586 -90.5586 -89.2312 -89.2312 -89.2019 -89.2019 -89.2014 -89.2014 -89.2014 -89.2014 0.0352 0.0352 4.8194 4.8449 4.8835 4.9379 5.0756 5.0949 5.6541 5.6815 5.6845 5.7356 6.7489 6.7525 9.8058 9.8607 9.9006 9.9769 10.3102 10.3227 13.0244 13.0645 13.4741 13.4974 13.5844 13.6219 14.0194 14.0715 k = 0.0469 0.0271 0.0765 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2313 -89.2313 -89.2018 -89.2018 -89.2014 -89.2014 -89.2014 -89.2014 0.0165 0.0165 4.8363 4.8583 4.8829 4.9305 5.0767 5.0911 5.6584 5.6816 5.6873 5.7294 6.7440 6.7466 9.8878 9.9372 9.9679 10.0354 10.2889 10.3001 13.1240 13.1601 13.4819 13.5049 13.5650 13.6038 13.9070 13.9542 k = 0.0402 0.0232 0.0656 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2017 -89.2017 -89.2014 -89.2014 -89.2014 -89.2014 0.0003 0.0003 4.8507 4.8691 4.8827 4.9233 5.0785 5.0885 5.6627 5.6821 5.6895 5.7234 6.7398 6.7415 9.9635 10.0057 10.0300 10.0871 10.2704 10.2804 13.2157 13.2466 13.4882 13.5097 13.5482 13.5873 13.8061 13.8477 k = 0.0335 0.0193 0.0547 ( 3701 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2016 -89.2016 -89.2014 -89.2014 -89.2014 -89.2014 -0.0134 -0.0134 4.8626 4.8774 4.8829 4.9165 5.0807 5.0870 5.6670 5.6829 5.6910 5.7174 6.7364 6.7374 10.0315 10.0644 10.0867 10.1313 10.2550 10.2635 13.2977 13.3214 13.4939 13.5115 13.5346 13.5726 13.7187 13.7540 k = 0.0268 0.0155 0.0437 ( 3701 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0246 -0.0246 4.8721 4.8836 4.8836 4.9102 5.0831 5.0865 5.6713 5.6840 5.6919 5.7115 6.7335 6.7341 10.0904 10.1126 10.1365 10.1675 10.2426 10.2497 13.3676 13.3816 13.5000 13.5097 13.5255 13.5597 13.6469 13.6751 k = 0.0201 0.0116 0.0328 ( 3697 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0334 -0.0334 4.8792 4.8850 4.8878 4.9045 5.0852 5.0867 5.6757 5.6853 5.6921 5.7057 6.7313 6.7316 10.1383 10.1504 10.1770 10.1952 10.2337 10.2392 13.4213 13.4239 13.5048 13.5059 13.5215 13.5496 13.5940 13.6144 k = 0.0134 0.0077 0.0219 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0396 -0.0396 4.8842 4.8871 4.8903 4.8994 5.0868 5.0873 5.6802 5.6868 5.6917 5.7001 6.7298 6.7298 10.1730 10.1775 10.2065 10.2145 10.2286 10.2327 13.4480 13.4522 13.4977 13.5033 13.5254 13.5471 13.5632 13.5758 k = 0.0067 0.0039 0.0109 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0433 -0.0433 4.8877 4.8895 4.8914 4.8949 5.0878 5.0879 5.6848 5.6883 5.6909 5.6948 6.7288 6.7288 10.1924 10.1930 10.2239 10.2258 10.2279 10.2304 13.4592 13.4608 13.4891 13.4908 13.5391 13.5510 13.5514 13.5577 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0446 -0.0446 4.8911 4.8911 4.8911 4.8911 5.0881 5.0881 5.6897 5.6897 5.6897 5.6897 6.7285 6.7285 10.1977 10.1977 10.2296 10.2296 10.2296 10.2296 13.4619 13.4619 13.4849 13.4849 13.5502 13.5502 13.5502 13.5502 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0446 -0.0446 4.8911 4.8911 4.8911 4.8911 5.0881 5.0881 5.6897 5.6897 5.6897 5.6897 6.7285 6.7285 10.1977 10.1977 10.2296 10.2296 10.2296 10.2296 13.4619 13.4619 13.4849 13.4849 13.5502 13.5502 13.5502 13.5502 k = 0.0109 0.0063 0.0044 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -89.2014 -0.0434 -0.0434 4.8877 4.8904 4.8904 4.8951 5.0879 5.0879 5.6847 5.6896 5.6896 5.6950 6.7288 6.7288 10.1926 10.1926 10.2251 10.2251 10.2276 10.2306 13.4601 13.4601 13.4899 13.4899 13.5390 13.5530 13.5530 13.5538 k = 0.0217 0.0126 0.0089 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2316 -89.2316 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0397 -0.0397 4.8849 4.8882 4.8882 4.8997 5.0871 5.0871 5.6800 5.6892 5.6892 5.7005 6.7298 6.7298 10.1725 10.1725 10.2170 10.2170 10.2245 10.2305 13.4533 13.4533 13.4999 13.4999 13.5206 13.5497 13.5678 13.5678 k = 0.0326 0.0188 0.0133 ( 3701 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0335 -0.0335 4.8828 4.8844 4.8844 4.9049 5.0860 5.0860 5.6757 5.6885 5.6885 5.7063 6.7313 6.7313 10.1329 10.1329 10.2106 10.2106 10.2202 10.2293 13.4399 13.4399 13.4955 13.5044 13.5044 13.5379 13.6057 13.6057 k = 0.0435 0.0251 0.0177 ( 3701 PWs) bands (ev): -90.5586 -90.5586 -89.2315 -89.2315 -89.2015 -89.2015 -89.2014 -89.2014 -89.2014 -89.2014 -0.0249 -0.0249 4.8788 4.8788 4.8813 4.9106 5.0847 5.0847 5.6717 5.6877 5.6877 5.7124 6.7334 6.7334 10.0764 10.0764 10.2048 10.2048 10.2148 10.2269 13.4191 13.4191 13.4641 13.5037 13.5037 13.5185 13.6664 13.6664 k = 0.0543 0.0314 0.0222 ( 3698 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2016 -89.2016 -89.2014 -89.2014 -89.2014 -89.2014 -0.0138 -0.0138 4.8710 4.8710 4.8803 4.9169 5.0837 5.0837 5.6681 5.6867 5.6867 5.7188 6.7360 6.7360 10.0061 10.0061 10.1983 10.1983 10.2082 10.2232 13.3912 13.3912 13.4273 13.4919 13.5015 13.5015 13.7447 13.7447 k = 0.0652 0.0377 0.0266 ( 3695 PWs) bands (ev): -90.5586 -90.5586 -89.2314 -89.2314 -89.2017 -89.2017 -89.2014 -89.2014 -89.2014 -89.2014 -0.0002 -0.0002 4.8607 4.8607 4.8799 4.9236 5.0832 5.0832 5.6650 5.6855 5.6855 5.7255 6.7389 6.7389 9.9244 9.9244 10.1907 10.1907 10.2003 10.2183 13.3569 13.3569 13.3857 13.4588 13.4993 13.4993 13.8372 13.8372 k = 0.0761 0.0439 0.0311 ( 3689 PWs) bands (ev): -90.5586 -90.5586 -89.2313 -89.2313 -89.2018 -89.2018 -89.2014 -89.2014 -89.2014 -89.2014 0.0158 0.0158 4.8477 4.8477 4.8800 4.9308 5.0835 5.0835 5.6624 5.6844 5.6844 5.7326 6.7421 6.7421 9.8333 9.8333 10.1817 10.1817 10.1910 10.2119 13.3175 13.3175 13.3399 13.4198 13.4974 13.4974 13.9412 13.9412 k = 0.0870 0.0502 0.0355 ( 3689 PWs) bands (ev): -90.5586 -90.5586 -89.2312 -89.2312 -89.2019 -89.2019 -89.2014 -89.2014 -89.2014 -89.2014 0.0342 0.0342 4.8316 4.8316 4.8806 4.9382 5.0848 5.0848 5.6604 5.6832 5.6832 5.7401 6.7454 6.7454 9.7348 9.7348 10.1710 10.1710 10.1802 10.2041 13.2739 13.2739 13.2909 13.3757 13.4960 13.4960 14.0546 14.0546 k = 0.0978 0.0565 0.0399 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2311 -89.2311 -89.2020 -89.2020 -89.2014 -89.2014 -89.2014 -89.2014 0.0551 0.0551 4.8125 4.8125 4.8817 4.9460 5.0872 5.0872 5.6591 5.6822 5.6822 5.7481 6.7487 6.7487 9.6306 9.6306 10.1586 10.1586 10.1678 10.1946 13.2273 13.2273 13.2394 13.3275 13.4950 13.4950 14.1753 14.1753 k = 0.1087 0.0628 0.0444 ( 3686 PWs) bands (ev): -90.5586 -90.5586 -89.2309 -89.2309 -89.2021 -89.2021 -89.2014 -89.2014 -89.2014 -89.2014 0.0784 0.0784 4.7902 4.7902 4.8832 4.9538 5.0907 5.0907 5.6586 5.6814 5.6814 5.7566 6.7519 6.7519 9.5222 9.5222 10.1443 10.1443 10.1536 10.1833 13.1786 13.1786 13.1860 13.2761 13.4947 13.4947 14.3016 14.3016 k = 0.1196 0.0690 0.0488 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2308 -89.2308 -89.2022 -89.2022 -89.2014 -89.2014 -89.2014 -89.2014 0.1041 0.1041 4.7647 4.7647 4.8850 4.9618 5.0953 5.0953 5.6591 5.6809 5.6809 5.7656 6.7547 6.7547 9.4109 9.4109 10.1278 10.1278 10.1376 10.1701 13.1287 13.1287 13.1316 13.2225 13.4950 13.4950 14.4316 14.4316 k = 0.1304 0.0753 0.0532 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2307 -89.2307 -89.2024 -89.2024 -89.2014 -89.2014 -89.2014 -89.2014 0.1322 0.1322 4.7362 4.7362 4.8871 4.9697 5.1009 5.1009 5.6605 5.6809 5.6809 5.7753 6.7570 6.7570 9.2980 9.2980 10.1092 10.1092 10.1197 10.1549 13.0767 13.0784 13.0784 13.1674 13.4961 13.4961 14.5638 14.5638 k = 0.1413 0.0816 0.0577 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2305 -89.2305 -89.2025 -89.2025 -89.2014 -89.2014 -89.2014 -89.2014 0.1628 0.1628 4.7046 4.7046 4.8895 4.9775 5.1072 5.1072 5.6632 5.6814 5.6814 5.7856 6.7586 6.7586 9.1843 9.1843 10.0883 10.0883 10.0996 10.1376 13.0220 13.0282 13.0282 13.1117 13.4981 13.4981 14.6965 14.6965 k = 0.1522 0.0879 0.0621 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2303 -89.2303 -89.2027 -89.2027 -89.2014 -89.2014 -89.2014 -89.2014 0.1957 0.1957 4.6702 4.6702 4.8920 4.9850 5.1141 5.1141 5.6670 5.6826 5.6826 5.7966 6.7592 6.7592 9.0710 9.0710 10.0649 10.0649 10.0773 10.1180 12.9680 12.9789 12.9789 13.0560 13.5010 13.5010 14.8278 14.8278 k = 0.1630 0.0941 0.0666 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2302 -89.2302 -89.2029 -89.2029 -89.2014 -89.2014 -89.2014 -89.2014 0.2310 0.2310 4.6329 4.6329 4.8947 4.9921 5.1215 5.1215 5.6723 5.6847 5.6847 5.8083 6.7587 6.7587 8.9588 8.9588 10.0390 10.0390 10.0528 10.0961 12.9151 12.9309 12.9309 13.0010 13.5050 13.5050 14.9558 14.9558 k = 0.1739 0.1004 0.0710 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2300 -89.2300 -89.2030 -89.2030 -89.2014 -89.2014 -89.2014 -89.2014 0.2686 0.2686 4.5928 4.5928 4.8975 4.9987 5.1290 5.1290 5.6791 5.6876 5.6876 5.8209 6.7569 6.7569 8.8486 8.8486 10.0105 10.0105 10.0259 10.0717 12.8639 12.8847 12.8847 12.9472 13.5102 13.5102 15.0774 15.0776 k = 0.1848 0.1067 0.0754 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2298 -89.2298 -89.2032 -89.2032 -89.2014 -89.2014 -89.2014 -89.2014 0.3086 0.3086 4.5501 4.5501 4.9004 5.0047 5.1367 5.1367 5.6874 5.6917 5.6917 5.8342 6.7535 6.7535 8.7410 8.7410 9.9795 9.9795 9.9967 10.0449 12.8146 12.8407 12.8407 12.8951 13.5165 13.5165 15.1647 15.1863 k = 0.1957 0.1130 0.0799 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2296 -89.2296 -89.2034 -89.2034 -89.2014 -89.2014 -89.2014 -89.2014 0.3509 0.3509 4.5047 4.5047 4.9032 5.0101 5.1441 5.1441 5.6970 5.6970 5.6974 5.8485 6.7482 6.7482 8.6367 8.6367 9.9458 9.9458 9.9651 10.0155 12.7676 12.7990 12.7990 12.8449 13.5241 13.5241 15.2042 15.2652 k = 0.2065 0.1192 0.0843 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2294 -89.2294 -89.2037 -89.2037 -89.2014 -89.2014 -89.2014 -89.2014 0.3954 0.3954 4.4568 4.4568 4.9060 5.0147 5.1513 5.1513 5.7036 5.7036 5.7091 5.8636 6.7410 6.7410 8.5363 8.5363 9.9097 9.9097 9.9311 9.9836 12.7230 12.7599 12.7599 12.7971 13.5329 13.5329 15.2468 15.3173 k = 0.2174 0.1255 0.0887 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2291 -89.2291 -89.2039 -89.2039 -89.2014 -89.2014 -89.2014 -89.2014 0.4423 0.4423 4.4062 4.4062 4.9088 5.0185 5.1580 5.1580 5.7117 5.7117 5.7225 5.8796 6.7314 6.7314 8.4405 8.4405 9.8711 9.8711 9.8949 9.9493 12.6810 12.7235 12.7235 12.7518 13.5431 13.5431 15.2926 15.3637 k = 0.2283 0.1318 0.0932 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2289 -89.2289 -89.2041 -89.2041 -89.2014 -89.2014 -89.2014 -89.2014 0.4914 0.4914 4.3531 4.3531 4.9114 5.0214 5.1642 5.1642 5.7212 5.7212 5.7377 5.8965 6.7194 6.7194 8.3497 8.3497 9.8302 9.8302 9.8564 9.9127 12.6418 12.6899 12.6899 12.7092 13.5545 13.5545 15.3415 15.4106 k = 0.2391 0.1381 0.0976 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2287 -89.2287 -89.2043 -89.2043 -89.2014 -89.2014 -89.2014 -89.2014 0.5427 0.5427 4.2974 4.2974 4.9139 5.0236 5.1697 5.1697 5.7322 5.7322 5.7547 5.9143 6.7048 6.7048 8.2645 8.2645 9.7871 9.7871 9.8159 9.8738 12.6054 12.6591 12.6591 12.6694 13.5671 13.5671 15.3933 15.4597 k = 0.2500 0.1443 0.1021 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2284 -89.2284 -89.2046 -89.2046 -89.2014 -89.2014 -89.2014 -89.2014 0.5962 0.5962 4.2393 4.2393 4.9163 5.0249 5.1744 5.1744 5.7447 5.7447 5.7733 5.9328 6.6876 6.6876 8.1851 8.1851 9.7421 9.7421 9.7736 9.8328 12.5717 12.6311 12.6311 12.6323 13.5810 13.5810 15.4480 15.5109 k = 0.2609 0.1506 0.1065 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2282 -89.2282 -89.2048 -89.2048 -89.2014 -89.2014 -89.2014 -89.2014 0.6519 0.6519 4.1786 4.1786 4.9185 5.0254 5.1784 5.1784 5.7586 5.7586 5.7934 5.9522 6.6676 6.6676 8.1119 8.1119 9.6954 9.6954 9.7296 9.7899 12.5408 12.5981 12.6057 12.6057 13.5959 13.5959 15.5055 15.5646 k = 0.2717 0.1569 0.1109 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2279 -89.2279 -89.2051 -89.2051 -89.2014 -89.2014 -89.2014 -89.2014 0.7096 0.7096 4.1155 4.1155 4.9205 5.0252 5.1816 5.1816 5.7739 5.7739 5.8151 5.9722 6.6449 6.6449 8.0450 8.0450 9.6473 9.6473 9.6842 9.7454 12.5127 12.5666 12.5829 12.5829 13.6120 13.6120 15.5656 15.6208 k = 0.2826 0.1632 0.1154 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2277 -89.2277 -89.2053 -89.2053 -89.2014 -89.2014 -89.2014 -89.2014 0.7695 0.7695 4.0499 4.0499 4.9224 5.0242 5.1840 5.1840 5.7904 5.7904 5.8382 5.9929 6.6199 6.6199 7.9845 7.9845 9.5980 9.5980 9.6376 9.6994 12.4871 12.5377 12.5626 12.5626 13.6290 13.6290 15.6283 15.6792 k = 0.2935 0.1694 0.1198 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2274 -89.2274 -89.2056 -89.2056 -89.2014 -89.2014 -89.2014 -89.2014 0.8314 0.8314 3.9820 3.9820 4.9242 5.0227 5.1857 5.1857 5.8080 5.8080 5.8624 6.0142 6.5927 6.5927 7.9303 7.9303 9.5478 9.5478 9.5902 9.6523 12.4639 12.5114 12.5445 12.5445 13.6468 13.6468 15.6934 15.7398 k = 0.3043 0.1757 0.1242 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2272 -89.2272 -89.2059 -89.2059 -89.2014 -89.2014 -89.2014 -89.2014 0.8953 0.8953 3.9117 3.9117 4.9258 5.0205 5.1867 5.1867 5.8264 5.8264 5.8878 6.0358 6.5637 6.5637 7.8822 7.8822 9.4972 9.4972 9.5423 9.6044 12.4432 12.4876 12.5286 12.5286 13.6654 13.6654 15.7607 15.8023 k = 0.3152 0.1820 0.1287 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2269 -89.2269 -89.2061 -89.2061 -89.2014 -89.2014 -89.2014 -89.2014 0.9611 0.9611 3.8391 3.8391 4.9273 5.0179 5.1871 5.1871 5.8454 5.8454 5.9140 6.0577 6.5336 6.5336 7.8399 7.8399 9.4463 9.4463 9.4942 9.5560 12.4246 12.4660 12.5146 12.5146 13.6846 13.6846 15.8302 15.8659 k = 0.3261 0.1883 0.1331 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2267 -89.2267 -89.2064 -89.2064 -89.2014 -89.2014 -89.2014 -89.2014 1.0288 1.0288 3.7644 3.7644 4.9286 5.0149 5.1870 5.1870 5.8648 5.8648 5.9409 6.0797 6.5027 6.5027 7.8029 7.8029 9.3956 9.3956 9.4462 9.5073 12.4081 12.4466 12.5025 12.5025 13.7041 13.7041 15.9014 15.9286 k = 0.3370 0.1945 0.1376 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2264 -89.2264 -89.2066 -89.2066 -89.2014 -89.2014 -89.2014 -89.2014 1.0983 1.0983 3.6877 3.6877 4.9299 5.0115 5.1865 5.1865 5.8842 5.8842 5.9683 6.1017 6.4719 6.4719 7.7708 7.7708 9.3454 9.3454 9.3988 9.4589 12.3935 12.4291 12.4919 12.4919 13.7239 13.7239 15.9743 15.9835 k = 0.3478 0.2008 0.1420 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2261 -89.2261 -89.2069 -89.2069 -89.2014 -89.2014 -89.2014 -89.2014 1.1696 1.1696 3.6091 3.6091 4.9312 5.0079 5.1855 5.1855 5.9032 5.9032 5.9960 6.1235 6.4417 6.4417 7.7431 7.7431 9.2961 9.2961 9.3522 9.4109 12.3806 12.4135 12.4828 12.4828 13.7438 13.7438 16.0186 16.0186 k = 0.3587 0.2071 0.1464 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2259 -89.2259 -89.2071 -89.2071 -89.2014 -89.2014 -89.2014 -89.2014 1.2425 1.2425 3.5287 3.5287 4.9323 5.0040 5.1843 5.1843 5.9216 5.9216 6.0238 6.1448 6.4127 6.4127 7.7194 7.7194 9.2479 9.2479 9.3069 9.3639 12.3693 12.3995 12.4749 12.4749 13.7635 13.7635 16.0395 16.0395 k = 0.3696 0.2134 0.1509 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2257 -89.2257 -89.2074 -89.2074 -89.2014 -89.2014 -89.2014 -89.2014 1.3170 1.3170 3.4467 3.4467 4.9335 5.0000 5.1829 5.1829 5.9388 5.9388 6.0514 6.1655 6.3856 6.3856 7.6991 7.6991 9.2014 9.2014 9.2632 9.3180 12.3595 12.3871 12.4682 12.4682 13.7828 13.7828 16.0550 16.0550 k = 0.3804 0.2196 0.1553 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2254 -89.2254 -89.2076 -89.2076 -89.2014 -89.2014 -89.2014 -89.2014 1.3929 1.3929 3.3634 3.3634 4.9347 4.9959 5.1813 5.1813 5.9545 5.9545 6.0786 6.1853 6.3610 6.3610 7.6820 7.6820 9.1569 9.1569 9.2215 9.2738 12.3511 12.3761 12.4626 12.4626 13.8016 13.8016 16.0674 16.0674 k = 0.3913 0.2259 0.1597 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2252 -89.2252 -89.2078 -89.2078 -89.2014 -89.2014 -89.2014 -89.2014 1.4701 1.4701 3.2790 3.2790 4.9360 4.9917 5.1797 5.1797 5.9682 5.9682 6.1052 6.2040 6.3395 6.3395 7.6674 7.6674 9.1146 9.1146 9.1821 9.2315 12.3438 12.3664 12.4578 12.4578 13.8197 13.8197 16.0779 16.0779 k = 0.4022 0.2322 0.1642 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2250 -89.2250 -89.2080 -89.2080 -89.2014 -89.2014 -89.2014 -89.2014 1.5485 1.5485 3.1938 3.1938 4.9373 4.9875 5.1780 5.1780 5.9795 5.9795 6.1308 6.2213 6.3213 6.3213 7.6553 7.6553 9.0751 9.0751 9.1455 9.1915 12.3377 12.3578 12.4538 12.4538 13.8368 13.8368 16.0868 16.0868 k = 0.4130 0.2385 0.1686 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2248 -89.2248 -89.2082 -89.2082 -89.2014 -89.2014 -89.2014 -89.2014 1.6278 1.6278 3.1080 3.1080 4.9387 4.9834 5.1764 5.1764 5.9883 5.9883 6.1553 6.2371 6.3068 6.3068 7.6451 7.6451 9.0385 9.0385 9.1120 9.1542 12.3326 12.3503 12.4505 12.4505 13.8528 13.8528 16.0943 16.0943 k = 0.4239 0.2447 0.1731 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2247 -89.2247 -89.2084 -89.2084 -89.2014 -89.2014 -89.2014 -89.2014 1.7077 1.7077 3.0221 3.0221 4.9402 4.9794 5.1749 5.1749 5.9944 5.9944 6.1783 6.2510 6.2960 6.2960 7.6367 7.6367 9.0054 9.0054 9.0819 9.1199 12.3284 12.3438 12.4478 12.4478 13.8674 13.8674 16.1006 16.1006 k = 0.4348 0.2510 0.1775 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2245 -89.2245 -89.2085 -89.2085 -89.2014 -89.2014 -89.2014 -89.2014 1.7878 1.7878 2.9366 2.9366 4.9418 4.9754 5.1734 5.1734 5.9981 5.9981 6.1997 6.2628 6.2886 6.2886 7.6298 7.6298 8.9759 8.9759 9.0556 9.0890 12.3250 12.3382 12.4455 12.4455 13.8804 13.8804 16.1059 16.1059 k = 0.4457 0.2573 0.1819 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2244 -89.2244 -89.2087 -89.2087 -89.2014 -89.2014 -89.2014 -89.2014 1.8673 1.8673 2.8524 2.8524 4.9436 4.9716 5.1722 5.1722 5.9998 5.9998 6.2192 6.2724 6.2840 6.2840 7.6243 7.6243 8.9504 8.9504 9.0333 9.0617 12.3225 12.3334 12.4438 12.4438 13.8918 13.8918 16.1102 16.1102 k = 0.4565 0.2636 0.1864 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2243 -89.2243 -89.2088 -89.2088 -89.2014 -89.2014 -89.2014 -89.2014 1.9451 1.9451 2.7705 2.7705 4.9455 4.9680 5.1711 5.1711 6.0001 6.0001 6.2364 6.2794 6.2815 6.2815 7.6199 7.6199 8.9291 8.9291 9.0152 9.0384 12.3206 12.3293 12.4424 12.4424 13.9013 13.9013 16.1136 16.1136 k = 0.4674 0.2698 0.1908 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2242 -89.2242 -89.2089 -89.2089 -89.2014 -89.2014 -89.2014 -89.2014 2.0192 2.0192 2.6933 2.6933 4.9476 4.9645 5.1702 5.1702 5.9995 5.9995 6.2514 6.2805 6.2805 6.2838 7.6167 7.6167 8.9123 8.9123 9.0016 9.0193 12.3195 12.3260 12.4414 12.4414 13.9088 13.9088 16.1163 16.1163 k = 0.4783 0.2761 0.1952 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2241 -89.2241 -89.2089 -89.2089 -89.2014 -89.2014 -89.2014 -89.2014 2.0852 2.0852 2.6250 2.6250 4.9500 4.9612 5.1696 5.1696 5.9987 5.9987 6.2637 6.2802 6.2802 6.2855 7.6144 7.6144 8.9001 8.9001 8.9927 9.0046 12.3190 12.3233 12.4407 12.4407 13.9143 13.9143 16.1181 16.1181 k = 0.4891 0.2824 0.1997 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2241 -89.2241 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1346 2.1346 2.5742 2.5742 4.9525 4.9581 5.1692 5.1692 5.9981 5.9981 6.2734 6.2803 6.2803 6.2844 7.6131 7.6131 8.8928 8.8928 8.9885 8.9945 12.3191 12.3213 12.4402 12.4402 13.9176 13.9176 16.1192 16.1192 k = 0.5000 0.2887 0.2041 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1539 2.1539 2.5544 2.5544 4.9552 4.9552 5.1691 5.1691 5.9978 5.9978 6.2803 6.2803 6.2804 6.2804 7.6127 7.6127 8.8903 8.8903 8.9891 8.9891 12.3199 12.3199 12.4401 12.4401 13.9187 13.9187 16.1196 16.1196 k = 0.5000 0.2887 0.2041 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1539 2.1539 2.5544 2.5544 4.9552 4.9552 5.1691 5.1691 5.9978 5.9978 6.2803 6.2803 6.2804 6.2804 7.6127 7.6127 8.8903 8.8903 8.9891 8.9891 12.3199 12.3199 12.4401 12.4401 13.9187 13.9187 16.1196 16.1196 k = 0.5038 0.2777 0.2103 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1551 2.1553 2.5550 2.5552 4.9543 4.9543 5.1674 5.1687 5.9900 6.0054 6.2704 6.2786 6.2824 6.2902 7.6135 7.6152 8.8836 8.8893 8.9854 8.9855 12.3229 12.3230 12.4429 12.4430 13.9208 13.9225 16.0940 16.1060 k = 0.5076 0.2668 0.2165 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1589 2.1593 2.5568 2.5572 4.9515 4.9516 5.1638 5.1662 5.9822 6.0125 6.2604 6.2772 6.2850 6.2999 7.6178 7.6212 8.8685 8.8805 8.9743 8.9751 12.3318 12.3320 12.4512 12.4515 13.9288 13.9322 16.0372 16.0577 k = 0.5114 0.2559 0.2227 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1653 2.1658 2.5600 2.5606 4.9464 4.9467 5.1589 5.1620 5.9744 6.0189 6.2503 6.2759 6.2882 6.3094 7.6254 7.6306 8.8445 8.8635 8.9570 8.9595 12.3461 12.3466 12.4648 12.4651 13.9427 13.9478 15.9617 15.9869 k = 0.5152 0.2449 0.2289 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1742 2.1749 2.5646 2.5654 4.9383 4.9391 5.1536 5.1570 5.9667 6.0242 6.2400 6.2744 6.2921 6.3188 7.6361 7.6431 8.8110 8.8376 8.9351 8.9398 12.3651 12.3663 12.4827 12.4831 13.9626 13.9694 15.8772 15.9045 k = 0.5189 0.2340 0.2351 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1856 2.1865 2.5704 2.5714 4.9266 4.9280 5.1489 5.1520 5.9590 6.0282 6.2296 6.2727 6.2968 6.3280 7.6499 7.6586 8.7685 8.8022 8.9103 8.9171 12.3883 12.3900 12.5041 12.5047 13.9882 13.9966 15.7903 15.8184 k = 0.5227 0.2231 0.2412 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2238 -89.2238 -89.2092 -89.2092 -89.2014 -89.2014 -89.2014 -89.2014 2.1996 2.2007 2.5776 2.5788 4.9105 4.9127 5.1457 5.1482 5.9513 6.0305 6.2192 6.2706 6.3021 6.3370 7.6663 7.6767 8.7180 8.7581 8.8834 8.8917 12.4146 12.4166 12.5277 12.5292 14.0195 14.0293 15.7055 15.7336 k = 0.5265 0.2121 0.2474 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2237 -89.2237 -89.2093 -89.2093 -89.2014 -89.2014 -89.2014 -89.2014 2.2160 2.2173 2.5861 2.5875 4.8898 4.8928 5.1448 5.1462 5.9434 6.0307 6.2087 6.2680 6.3082 6.3459 7.6849 7.6971 8.6610 8.7067 8.8546 8.8638 12.4430 12.4445 12.5528 12.5561 14.0557 14.0668 15.6262 15.6539 k = 0.5303 0.2012 0.2536 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2236 -89.2236 -89.2094 -89.2094 -89.2014 -89.2014 -89.2014 -89.2014 2.2349 2.2365 2.5960 2.5976 4.8643 4.8680 5.1465 5.1466 5.9350 6.0286 6.1985 6.2646 6.3150 6.3547 7.7052 7.7190 8.5994 8.6499 8.8237 8.8333 12.4713 12.4715 12.5793 12.5857 14.0960 14.1079 15.5554 15.5827 k = 0.5341 0.1903 0.2598 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2235 -89.2235 -89.2095 -89.2095 -89.2014 -89.2014 -89.2014 -89.2014 2.2563 2.2580 2.6072 2.6091 4.8344 4.8386 5.1497 5.1509 5.9259 6.0237 6.1886 6.2604 6.3224 6.3636 7.7263 7.7416 8.5353 8.5900 8.7906 8.8003 12.4938 12.4971 12.6082 12.6192 14.1386 14.1510 15.4963 15.5234 k = 0.5379 0.1793 0.2660 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2234 -89.2234 -89.2096 -89.2096 -89.2014 -89.2014 -89.2014 -89.2014 2.2799 2.2820 2.6197 2.6219 4.8005 4.8049 5.1552 5.1577 5.9158 6.0155 6.1794 6.2554 6.3305 6.3728 7.7471 7.7636 8.4708 8.5291 8.7552 8.7648 12.5092 12.5158 12.6418 12.6578 14.1817 14.1938 15.4521 15.4793 k = 0.5417 0.1684 0.2722 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2233 -89.2233 -89.2097 -89.2097 -89.2014 -89.2014 -89.2014 -89.2014 2.3059 2.3082 2.6337 2.6361 4.7630 4.7674 5.1631 5.1668 5.9045 6.0038 6.1711 6.2495 6.3392 6.3822 7.7660 7.7830 8.4088 8.4697 8.7177 8.7269 12.5154 12.5247 12.6816 12.7020 14.2225 14.2339 15.4259 15.4538 k = 0.5455 0.1575 0.2784 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2231 -89.2231 -89.2099 -89.2099 -89.2014 -89.2014 -89.2014 -89.2014 2.3341 2.3367 2.6490 2.6517 4.7224 4.7266 5.1730 5.1779 5.8917 5.9883 6.1639 6.2428 6.3486 6.3921 7.7809 7.7970 8.3528 8.4147 8.6780 8.6869 12.5117 12.5228 12.7276 12.7513 14.2588 14.2686 15.4206 15.4497 k = 0.5492 0.1465 0.2845 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2230 -89.2230 -89.2100 -89.2100 -89.2014 -89.2014 -89.2014 -89.2014 2.3644 2.3673 2.6658 2.6688 4.6791 4.6829 5.1847 5.1907 5.8771 5.9691 6.1578 6.2355 6.3587 6.4027 7.7889 7.8020 8.3071 8.3677 8.6365 8.6448 12.4982 12.5101 12.7788 12.8050 14.2885 14.2963 15.4382 15.4689 k = 0.5530 0.1356 0.2907 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2228 -89.2228 -89.2102 -89.2102 -89.2014 -89.2014 -89.2014 -89.2014 2.3967 2.4000 2.6841 2.6874 4.6334 4.6367 5.1980 5.2051 5.8604 5.9461 6.1527 6.2277 6.3694 6.4139 7.7869 7.7938 8.2762 8.3322 8.5931 8.6008 12.4749 12.4873 12.8341 12.8624 14.3110 14.3164 15.4789 15.5116 k = 0.5568 0.1247 0.2969 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2227 -89.2226 -89.2104 -89.2104 -89.2014 -89.2014 -89.2014 -89.2014 2.4308 2.4345 2.7039 2.7075 4.5856 4.5883 5.2127 5.2207 5.8416 5.9199 6.1485 6.2198 6.3810 6.4260 7.7701 7.7723 8.2627 8.3111 8.5483 8.5552 12.4423 12.4546 12.8929 12.9228 14.3272 14.3301 15.5416 15.5763 k = 0.5606 0.1137 0.3031 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2225 -89.2225 -89.2106 -89.2106 -89.2014 -89.2014 -89.2014 -89.2014 2.4667 2.4708 2.7254 2.7293 4.5360 4.5379 5.2285 5.2375 5.8203 5.8906 6.1451 6.2118 6.3933 6.4389 7.7319 7.7446 8.2658 8.3050 8.5021 8.5082 12.4007 12.4129 12.9545 12.9858 14.3386 14.3392 15.6235 15.6602 k = 0.5644 0.1028 0.3093 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2223 -89.2223 -89.2107 -89.2107 -89.2014 -89.2014 -89.2014 -89.2014 2.5041 2.5086 2.7485 2.7528 4.4848 4.4859 5.2453 5.2553 5.7968 5.8587 6.1422 6.2040 6.4063 6.4527 7.6829 7.7055 8.2822 8.3122 8.4550 8.4599 12.3509 12.3626 13.0186 13.0511 14.3461 14.3477 15.7213 15.7599 k = 0.5682 0.0919 0.3155 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2221 -89.2221 -89.2109 -89.2109 -89.2014 -89.2014 -89.2014 -89.2014 2.5426 2.5477 2.7736 2.7781 4.4320 4.4322 5.2629 5.2738 5.7710 5.8246 6.1399 6.1967 6.4202 6.4675 7.6269 7.6582 8.3074 8.3287 8.4081 8.4109 12.2936 12.3046 13.0847 13.1182 14.3529 14.3563 15.8318 15.8721 k = 0.5720 0.0809 0.3217 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2219 -89.2219 -89.2112 -89.2112 -89.2014 -89.2014 -89.2014 -89.2014 2.5822 2.5877 2.8006 2.8054 4.3772 4.3778 5.2810 5.2928 5.7433 5.7890 6.1379 6.1900 6.4349 6.4832 7.5672 7.6057 8.3347 8.3380 8.3650 8.3750 12.2297 12.2398 13.1526 13.1869 14.3611 14.3661 15.9519 15.9936 k = 0.5758 0.0700 0.3278 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2216 -89.2216 -89.2114 -89.2114 -89.2014 -89.2014 -89.2014 -89.2014 2.6223 2.6282 2.8298 2.8349 4.3209 4.3224 5.2994 5.3120 5.7139 5.7524 6.1364 6.1841 6.4504 6.4998 7.5061 7.5504 8.2994 8.3053 8.3787 8.3941 12.1600 12.1692 13.2219 13.2569 14.3720 14.3783 16.0787 16.1218 k = 0.5795 0.0590 0.3340 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2214 -89.2214 -89.2116 -89.2116 -89.2014 -89.2014 -89.2014 -89.2014 2.6626 2.6689 2.8615 2.8666 4.2635 4.2660 5.3176 5.3310 5.6837 5.7155 6.1354 6.1790 6.4665 6.5174 7.4450 7.4942 8.2499 8.2544 8.4155 8.4266 12.0855 12.0936 13.2923 13.3278 14.3861 14.3935 16.2096 16.2540 k = 0.5833 0.0481 0.3402 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2212 -89.2212 -89.2118 -89.2118 -89.2014 -89.2014 -89.2014 -89.2014 2.7026 2.7092 2.8957 2.9007 4.2051 4.2086 5.3353 5.3493 5.6533 5.6792 6.1348 6.1748 6.4832 6.5359 7.3848 7.4383 8.1987 8.2022 8.4541 8.4620 12.0072 12.0141 13.3637 13.3995 14.4039 14.4123 16.3421 16.3878 k = 0.5871 0.0372 0.3464 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2209 -89.2209 -89.2121 -89.2121 -89.2014 -89.2014 -89.2014 -89.2014 2.7421 2.7487 2.9326 2.9372 4.1461 4.1506 5.3514 5.3660 5.6239 5.6448 6.1347 6.1716 6.5004 6.5552 7.3263 7.3836 8.1470 8.1495 8.4930 8.4984 11.9259 11.9315 13.4356 13.4716 14.4255 14.4347 16.4733 16.5203 k = 0.5909 0.0262 0.3526 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2207 -89.2207 -89.2123 -89.2123 -89.2014 -89.2014 -89.2014 -89.2014 2.7806 2.7871 2.9720 2.9759 4.0868 4.0924 5.3651 5.3797 5.5970 5.6139 6.1353 6.1694 6.5179 6.5751 7.2698 7.3308 8.0949 8.0966 8.5315 8.5348 11.8424 11.8468 13.5079 13.5440 14.4509 14.4607 16.5894 16.6320 k = 0.5947 0.0153 0.3588 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2205 -89.2204 -89.2126 -89.2126 -89.2014 -89.2014 -89.2014 -89.2014 2.8180 2.8241 3.0136 3.0164 4.0275 4.0343 5.3744 5.3885 5.5748 5.5889 6.1366 6.1682 6.5354 6.5955 7.2158 7.2806 8.0427 8.0438 8.5690 8.5706 11.7576 11.7608 13.5803 13.6162 14.4799 14.4904 16.6142 16.6466 k = 0.5985 0.0044 0.3649 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2202 -89.2202 -89.2128 -89.2128 -89.2014 -89.2014 -89.2014 -89.2014 2.8539 2.8595 3.0566 3.0580 3.9690 3.9771 5.3773 5.3899 5.5598 5.5726 6.1387 6.1681 6.5525 6.6161 7.1647 7.2333 7.9906 7.9911 8.6048 8.6050 11.6722 11.6742 13.6525 13.6882 14.5125 14.5235 16.6230 16.6541 k = 0.6023-0.0066 0.3711 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2200 -89.2200 -89.2131 -89.2131 -89.2014 -89.2014 -89.2014 -89.2014 2.8882 2.8931 3.0997 3.1001 3.9122 3.9219 5.3725 5.3827 5.5536 5.5665 6.1416 6.1692 6.5688 6.6364 7.1168 7.1897 7.9388 7.9388 8.6376 8.6387 11.5868 11.5876 13.7242 13.7596 14.5483 14.5599 16.6335 16.6635 k = 0.6061-0.0175 0.3773 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2197 -89.2197 -89.2133 -89.2133 -89.2014 -89.2014 -89.2014 -89.2014 2.9205 2.9247 3.1400 3.1427 3.8587 3.8701 5.3611 5.3686 5.5557 5.5693 6.1456 6.1713 6.5836 6.6558 7.0729 7.1504 7.8872 7.8875 8.6680 8.6702 11.5018 11.5021 13.7953 13.8302 14.5872 14.5993 16.6466 16.6755 k = 0.6098-0.0284 0.3835 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2195 -89.2195 -89.2135 -89.2135 -89.2014 -89.2014 -89.2014 -89.2014 2.9501 2.9535 3.1774 3.1826 3.8106 3.8240 5.3458 5.3508 5.5638 5.5780 6.1506 6.1746 6.5961 6.6731 7.0340 7.1162 7.8363 7.8369 8.6958 8.6989 11.4174 11.4186 13.8655 13.8997 14.6289 14.6415 16.6623 16.6901 k = 0.6136-0.0394 0.3897 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2193 -89.2192 -89.2138 -89.2138 -89.2014 -89.2014 -89.2014 -89.2014 2.9758 2.9784 3.2098 3.2179 3.7709 3.7865 5.3294 5.3323 5.5753 5.5899 6.1567 6.1790 6.6053 6.6865 7.0018 7.0882 7.7865 7.7871 8.7205 8.7245 11.3347 11.3369 13.9346 13.9680 14.6732 14.6863 16.6806 16.7072 k = 0.6174-0.0503 0.3959 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2190 -89.2190 -89.2140 -89.2140 -89.2014 -89.2014 -89.2014 -89.2014 2.9954 2.9973 3.2358 3.2466 3.7432 3.7609 5.3141 5.3155 5.5884 5.6031 6.1639 6.1844 6.6101 6.6938 6.9786 7.0675 7.7380 7.7385 8.7419 8.7467 11.2545 11.2575 14.0024 14.0349 14.7197 14.7333 16.7016 16.7269 k = 0.6212-0.0612 0.4021 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2189 -89.2189 -89.2142 -89.2142 -89.2014 -89.2014 -89.2014 -89.2014 3.0055 3.0069 3.2559 3.2687 3.7307 3.7499 5.3016 5.3018 5.6020 5.6164 6.1721 6.1907 6.6097 6.6926 6.9666 7.0549 7.6912 7.6913 8.7595 8.7652 11.1771 11.1808 14.0686 14.1001 14.7682 14.7823 16.7250 16.7490 k = 0.6250-0.0722 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.6250-0.0722 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.6184-0.0684 0.4190 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0027 3.0040 3.2740 3.2876 3.7350 3.7547 5.2802 5.2820 5.6243 5.6388 6.1815 6.1987 6.6032 6.6813 6.9647 7.0486 7.6408 7.6412 8.7832 8.7895 11.1003 11.1053 14.1320 14.1627 14.8116 14.8280 16.7495 16.7732 k = 0.6118-0.0646 0.4297 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0049 3.0062 3.2767 3.2903 3.7371 3.7569 5.2487 5.2517 5.6481 5.6644 6.1829 6.2015 6.6015 6.6796 6.9583 7.0419 7.6268 7.6271 8.8121 8.8186 11.0926 11.0992 14.1285 14.1602 14.7919 14.8127 16.7474 16.7734 k = 0.6053-0.0608 0.4405 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2144 -89.2144 -89.2014 -89.2014 -89.2014 -89.2014 3.0085 3.0099 3.2810 3.2947 3.7406 3.7605 5.2039 5.2076 5.6812 5.6999 6.1854 6.2060 6.5988 6.6767 6.9478 7.0306 7.6052 7.6061 8.8581 8.8648 11.0801 11.0888 14.1229 14.1562 14.7609 14.7871 16.7461 16.7744 k = 0.5987-0.0570 0.4512 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2186 -89.2186 -89.2144 -89.2144 -89.2014 -89.2014 -89.2014 -89.2014 3.0135 3.0150 3.2871 3.3008 3.7455 3.7656 5.1503 5.1548 5.7188 5.7403 6.1889 6.2121 6.5951 6.6726 6.9332 7.0148 7.5788 7.5805 8.9185 8.9254 11.0630 11.0740 14.1153 14.1508 14.7201 14.7519 16.7472 16.7769 k = 0.5921-0.0532 0.4620 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2186 -89.2186 -89.2145 -89.2145 -89.2014 -89.2014 -89.2014 -89.2014 3.0199 3.0215 3.2947 3.3085 3.7520 3.7722 5.0908 5.0960 5.7583 5.7829 6.1936 6.2197 6.5903 6.6673 6.9147 6.9945 7.5502 7.5528 8.9905 8.9976 11.0414 11.0547 14.1061 14.1442 14.6712 14.7084 16.7519 16.7819 k = 0.5855-0.0494 0.4727 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2185 -89.2185 -89.2145 -89.2145 -89.2014 -89.2014 -89.2014 -89.2014 3.0276 3.0294 3.3038 3.3178 3.7600 3.7804 5.0271 5.0330 5.7981 5.8259 6.1995 6.2286 6.5846 6.6607 6.8927 6.9699 7.5215 7.5249 9.0717 9.0790 11.0153 11.0310 14.0956 14.1366 14.6159 14.6581 16.7607 16.7898 k = 0.5789-0.0456 0.4835 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2184 -89.2184 -89.2146 -89.2146 -89.2014 -89.2014 -89.2014 -89.2014 3.0365 3.0384 3.3143 3.3283 3.7696 3.7903 4.9602 4.9669 5.8373 5.8685 6.2067 6.2385 6.5781 6.6528 6.8679 6.9416 7.4941 7.4983 9.1599 9.1672 10.9850 11.0031 14.0841 14.1283 14.5561 14.6029 16.7732 16.8007 k = 0.5724-0.0418 0.4942 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2183 -89.2183 -89.2147 -89.2147 -89.2014 -89.2014 -89.2014 -89.2014 3.0466 3.0487 3.3260 3.3400 3.7810 3.8019 4.8910 4.8984 5.8754 5.9098 6.2152 6.2493 6.5708 6.6435 6.8411 6.9101 7.4691 7.4739 9.2531 9.2604 10.9504 10.9710 14.0719 14.1195 14.4934 14.5444 16.7892 16.8144 k = 0.5658-0.0380 0.5049 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2182 -89.2182 -89.2148 -89.2148 -89.2014 -89.2014 -89.2014 -89.2014 3.0578 3.0600 3.3386 3.3527 3.7942 3.8153 4.8200 4.8282 5.9121 5.9495 6.2248 6.2607 6.5630 6.6329 6.8132 6.8762 7.4467 7.4522 9.3498 9.3570 10.9119 10.9350 14.0595 14.1105 14.4295 14.4845 16.8077 16.8303 k = 0.5592-0.0342 0.5157 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2181 -89.2181 -89.2149 -89.2149 -89.2014 -89.2014 -89.2014 -89.2014 3.0699 3.0723 3.3518 3.3659 3.8094 3.8307 4.7479 4.7567 5.9473 5.9870 6.2357 6.2721 6.5549 6.6210 6.7854 6.8408 7.4271 7.4332 9.4486 9.4555 10.8695 10.8951 14.0469 14.1013 14.3663 14.4246 16.8280 16.8478 k = 0.5526-0.0304 0.5264 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2179 -89.2179 -89.2151 -89.2151 -89.2014 -89.2014 -89.2014 -89.2014 3.0828 3.0855 3.3653 3.3793 3.8266 3.8480 4.6753 4.6848 5.9807 6.0219 6.2477 6.2830 6.5465 6.6084 6.7585 6.8048 7.4102 7.4167 9.5482 9.5546 10.8237 10.8518 14.0345 14.0919 14.3055 14.3665 16.8491 16.8660 k = 0.5461-0.0266 0.5372 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2178 -89.2178 -89.2152 -89.2152 -89.2014 -89.2014 -89.2014 -89.2014 3.0964 3.0992 3.3788 3.3926 3.8458 3.8673 4.6030 4.6131 6.0123 6.0538 6.2605 6.2930 6.5382 6.5958 6.7334 6.7692 7.3957 7.4027 9.6472 9.6530 10.7746 10.8053 14.0223 14.0822 14.2488 14.3116 16.8702 16.8843 k = 0.5395-0.0228 0.5479 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2177 -89.2177 -89.2154 -89.2154 -89.2014 -89.2014 -89.2014 -89.2014 3.1105 3.1135 3.3917 3.4051 3.8671 3.8886 4.5318 4.5426 6.0419 6.0820 6.2737 6.3013 6.5300 6.5848 6.7101 6.7348 7.3836 7.3909 9.7443 9.7492 10.7229 10.7563 14.0105 14.0713 14.1987 14.2613 16.8905 16.9018 k = 0.5329-0.0190 0.5587 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2175 -89.2175 -89.2155 -89.2155 -89.2014 -89.2014 -89.2014 -89.2014 3.1248 3.1279 3.4034 3.4165 3.8902 3.9114 4.4632 4.4744 6.0692 6.1061 6.2862 6.3076 6.5224 6.5770 6.6876 6.7036 7.3735 7.3810 9.8381 9.8419 10.6691 10.7055 13.9990 14.0577 14.1581 14.2168 16.9090 16.9178 k = 0.5263-0.0152 0.5694 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2173 -89.2173 -89.2157 -89.2157 -89.2014 -89.2014 -89.2014 -89.2014 3.1388 3.1420 3.4135 3.4261 3.9145 3.9352 4.3988 4.4101 6.0939 6.1258 6.2965 6.3123 6.5167 6.5732 6.6621 6.6797 7.3653 7.3730 9.9263 9.9292 10.6145 10.6543 13.9880 14.0399 14.1299 14.1794 16.9253 16.9318 k = 0.5197-0.0114 0.5801 ( 3685 PWs) bands (ev): -90.5586 -90.5586 -89.2171 -89.2171 -89.2159 -89.2159 -89.2014 -89.2014 -89.2014 -89.2014 3.1520 3.1553 3.4214 3.4334 3.9391 3.9587 4.3412 4.3521 6.1154 6.1406 6.3025 6.3163 6.5148 6.5733 6.6345 6.6628 7.3590 7.3668 10.0055 10.0093 10.5608 10.6047 13.9774 14.0196 14.1137 14.1498 16.9386 16.9432 k = 0.5132-0.0076 0.5909 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2169 -89.2169 -89.2161 -89.2161 -89.2014 -89.2014 -89.2014 -89.2014 3.1636 3.1669 3.4267 3.4382 3.9616 3.9795 4.2945 4.3038 6.1329 6.1501 6.3043 6.3200 6.5181 6.5761 6.6090 6.6500 7.3545 7.3622 10.0711 10.0781 10.5118 10.5607 13.9679 14.0017 14.1057 14.1285 16.9485 16.9516 k = 0.5066-0.0038 0.6016 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2167 -89.2167 -89.2163 -89.2163 -89.2014 -89.2014 -89.2014 -89.2014 3.1721 3.1754 3.4292 3.4404 3.9784 3.9939 4.2641 4.2699 6.1454 6.1542 6.3041 6.3223 6.5252 6.5793 6.5886 6.6415 7.3517 7.3595 10.1163 10.1274 10.4747 10.5288 13.9605 13.9900 14.1024 14.1157 16.9548 16.9567 k = 0.5000-0.0000 0.6124 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1754 3.1788 3.4298 3.4409 3.9847 3.9988 4.2547 4.2566 6.1513 6.1537 6.3039 6.3231 6.5298 6.5797 6.5808 6.6383 7.3508 7.3585 10.1327 10.1458 10.4604 10.5169 13.9576 13.9861 14.1014 14.1116 16.9570 16.9583 k = 0.5000-0.0000 0.6124 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 3.1754 3.1788 3.4298 3.4409 3.9847 3.9988 4.2547 4.2566 6.1513 6.1537 6.3039 6.3231 6.5298 6.5797 6.5808 6.6383 7.3508 7.3585 10.1327 10.1458 10.4604 10.5169 13.9576 13.9861 14.1014 14.1116 16.9570 16.9583 k = 0.5000 0.0076 0.6016 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2168 -89.2168 -89.2162 -89.2162 -89.2014 -89.2014 -89.2014 -89.2014 3.1713 3.1746 3.4295 3.4408 3.9731 3.9896 4.2677 4.2755 6.1415 6.1532 6.3042 6.3217 6.5212 6.5782 6.5961 6.6449 7.3530 7.3607 10.1091 10.1191 10.4885 10.5411 13.9554 13.9843 14.0993 14.1139 16.9533 16.9556 k = 0.5000 0.0152 0.5909 ( 3686 PWs) bands (ev): -90.5586 -90.5586 -89.2171 -89.2171 -89.2159 -89.2159 -89.2014 -89.2014 -89.2014 -89.2014 3.1593 3.1627 3.4277 3.4394 3.9474 3.9674 4.3067 4.3188 6.1221 6.1432 6.3048 6.3184 6.5084 6.5722 6.6309 6.6628 7.3597 7.3671 10.0499 10.0573 10.5550 10.6014 13.9488 13.9788 14.0955 14.1185 16.9429 16.9471 k = 0.5000 0.0228 0.5801 ( 3688 PWs) bands (ev): -90.5586 -90.5586 -89.2174 -89.2174 -89.2156 -89.2156 -89.2014 -89.2014 -89.2014 -89.2014 3.1410 3.1445 3.4219 3.4338 3.9210 3.9430 4.3612 4.3754 6.0963 6.1239 6.3044 6.3146 6.4981 6.5648 6.6740 6.6899 7.3707 7.3777 9.9730 9.9815 10.6383 10.6806 13.9378 13.9694 14.0918 14.1237 16.9265 16.9332 k = 0.5000 0.0304 0.5694 ( 3682 PWs) bands (ev): -90.5586 -90.5586 -89.2178 -89.2177 -89.2153 -89.2153 -89.2014 -89.2014 -89.2014 -89.2014 3.1178 3.1214 3.4092 3.4206 3.9019 3.9246 4.4239 4.4390 6.0664 6.0975 6.3015 6.3124 6.4896 6.5568 6.7209 6.7260 7.3858 7.3923 9.8893 9.8997 10.7292 10.7689 13.9221 13.9558 14.0889 14.1294 16.9047 16.9144 k = 0.5000 0.0380 0.5587 ( 3682 PWs) bands (ev): -90.5586 -90.5586 -89.2181 -89.2181 -89.2150 -89.2150 -89.2014 -89.2014 -89.2014 -89.2014 3.0912 3.0949 3.3876 3.3979 3.8943 3.9165 4.4908 4.5064 6.0342 6.0663 6.2963 6.3117 6.4816 6.5485 6.7640 6.7763 7.4046 7.4107 9.8033 9.8153 10.8237 10.8621 13.9018 13.9379 14.0871 14.1355 16.8786 16.8916 k = 0.5000 0.0456 0.5479 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2184 -89.2184 -89.2147 -89.2147 -89.2014 -89.2014 -89.2014 -89.2014 3.0620 3.0660 3.3570 3.3654 3.8988 3.9196 4.5598 4.5757 6.0009 6.0323 6.2902 6.3114 6.4731 6.5399 6.8102 6.8320 7.4268 7.4325 9.7170 9.7301 10.9204 10.9581 13.8770 13.9154 14.0865 14.1421 16.8492 16.8658 k = 0.5000 0.0532 0.5372 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2144 -89.2144 -89.2014 -89.2014 -89.2014 -89.2014 3.0311 3.0353 3.3186 3.3249 3.9140 3.9332 4.6293 4.6457 5.9676 5.9969 6.2835 6.3110 6.4641 6.5311 6.8606 6.8904 7.4520 7.4577 9.6312 9.6452 11.0183 11.0557 13.8477 13.8885 14.0872 14.1492 16.8173 16.8377 k = 0.5000 0.0608 0.5264 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2190 -89.2190 -89.2141 -89.2141 -89.2014 -89.2014 -89.2014 -89.2014 2.9989 3.0034 3.2747 3.2788 3.9378 3.9553 4.6985 4.7154 5.9351 5.9615 6.2764 6.3104 6.4544 6.5223 6.9146 6.9511 7.4798 7.4857 9.5465 9.5611 11.1168 11.1542 13.8140 13.8570 14.0892 14.1569 16.7840 16.8082 k = 0.5000 0.0684 0.5157 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2192 -89.2192 -89.2138 -89.2138 -89.2014 -89.2014 -89.2014 -89.2014 2.9657 2.9705 3.2272 3.2293 3.9680 3.9840 4.7664 4.7841 5.9041 5.9268 6.2689 6.3097 6.4441 6.5134 6.9718 7.0139 7.5098 7.5163 9.4633 9.4784 11.2155 11.2531 13.7760 13.8212 14.0924 14.1652 16.7499 16.7777 k = 0.5000 0.0760 0.5049 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2195 -89.2195 -89.2135 -89.2135 -89.2014 -89.2014 -89.2014 -89.2014 2.9315 2.9368 3.1779 3.1784 4.0029 4.0177 4.8320 4.8508 5.8750 5.8938 6.2611 6.3088 6.4335 6.5048 7.0317 7.0785 7.5417 7.5490 9.3820 9.3975 11.3139 11.3518 13.7340 13.7813 14.0967 14.1742 16.7154 16.7465 k = 0.5000 0.0836 0.4942 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2198 -89.2198 -89.2132 -89.2132 -89.2014 -89.2014 -89.2014 -89.2014 2.8964 2.9022 3.1273 3.1286 4.0413 4.0552 4.8946 4.9148 5.8484 5.8634 6.2529 6.3078 6.4227 6.4963 7.0941 7.1448 7.5750 7.5835 9.3030 9.3187 11.4118 11.4499 13.6881 13.7373 14.1023 14.1838 16.6804 16.7141 k = 0.5000 0.0912 0.4835 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2201 -89.2201 -89.2129 -89.2129 -89.2014 -89.2014 -89.2014 -89.2014 2.8605 2.8666 3.0773 3.0799 4.0824 4.0955 4.9532 4.9753 5.8243 5.8368 6.2445 6.3066 6.4119 6.4880 7.1588 7.2128 7.6095 7.6191 9.2265 9.2424 11.5086 11.5469 13.6386 13.6896 14.1092 14.1943 16.6440 16.6788 k = 0.5000 0.0988 0.4727 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2204 -89.2204 -89.2127 -89.2126 -89.2014 -89.2014 -89.2014 -89.2014 2.8235 2.8300 3.0293 3.0330 4.1255 4.1381 5.0068 5.0312 5.8027 5.8157 6.2359 6.3053 6.4012 6.4801 7.2258 7.2823 7.6445 7.6555 9.1530 9.1690 11.6041 11.6424 13.5858 13.6383 14.1174 14.2055 16.6035 16.6366 k = 0.5000 0.1064 0.4620 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2206 -89.2206 -89.2124 -89.2124 -89.2014 -89.2014 -89.2014 -89.2014 2.7855 2.7923 2.9839 2.9884 4.1701 4.1823 5.0545 5.0815 5.7839 5.8013 6.2273 6.3039 6.3908 6.4723 7.2947 7.3533 7.6796 7.6921 9.0828 9.0990 11.6978 11.7358 13.5298 13.5839 14.1270 14.2176 16.5535 16.5790 k = 0.5000 0.1140 0.4512 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2209 -89.2209 -89.2121 -89.2121 -89.2014 -89.2014 -89.2014 -89.2014 2.7465 2.7533 2.9415 2.9466 4.2158 4.2279 5.0952 5.1252 5.7694 5.7937 6.2188 6.3024 6.3808 6.4649 7.3656 7.4256 7.7142 7.7287 9.0166 9.0330 11.7891 11.8265 13.4712 13.5266 14.1381 14.2306 16.4831 16.4966 k = 0.5000 0.1215 0.4405 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2211 -89.2211 -89.2119 -89.2119 -89.2014 -89.2014 -89.2014 -89.2014 2.7066 2.7134 2.9024 2.9077 4.2624 4.2744 5.1283 5.1613 5.7604 5.7929 6.2105 6.3008 6.3713 6.4577 7.4381 7.4989 7.7473 7.7647 8.9548 8.9716 11.8775 11.9139 13.4103 13.4668 14.1506 14.2443 16.3782 16.3955 k = 0.5000 0.1291 0.4297 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2214 -89.2214 -89.2116 -89.2116 -89.2014 -89.2014 -89.2014 -89.2014 2.6662 2.6727 2.8665 2.8718 4.3096 4.3216 5.1534 5.1891 5.7577 5.7987 6.2025 6.2992 6.3624 6.4506 7.5118 7.5728 7.7782 7.8003 8.8982 8.9156 11.9625 11.9974 13.3474 13.4048 14.1647 14.2587 16.2507 16.2785 k = 0.5000 0.1367 0.4190 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2216 -89.2216 -89.2114 -89.2114 -89.2014 -89.2014 -89.2014 -89.2014 2.6256 2.6316 2.8336 2.8388 4.3571 4.3692 5.1709 5.2084 5.7612 5.8108 6.1950 6.2976 6.3540 6.4437 7.5857 7.6466 7.8058 7.8360 8.8475 8.8659 12.0433 12.0763 13.2829 13.3411 14.1801 14.2736 16.1168 16.1511 k = 0.5000 0.1443 0.4082 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2218 -89.2218 -89.2112 -89.2112 -89.2014 -89.2014 -89.2014 -89.2014 2.5851 2.5907 2.8035 2.8084 4.4048 4.4170 5.1813 5.2198 5.7703 5.8281 6.1881 6.2961 6.3463 6.4369 7.6577 7.7192 7.8291 7.8736 8.8037 8.8235 12.1194 12.1497 13.2174 13.2762 14.1964 14.2884 15.9842 16.0217 k = 0.5000 0.1519 0.3975 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2221 -89.2220 -89.2110 -89.2110 -89.2014 -89.2014 -89.2014 -89.2014 2.5452 2.5503 2.7758 2.7804 4.4523 4.4648 5.1859 5.2243 5.7839 5.8495 6.1818 6.2946 6.3393 6.4302 7.7224 7.7898 7.8479 7.9172 8.7677 8.7893 12.1899 12.2171 13.1512 13.2104 14.2129 14.3023 15.8575 15.8961 k = 0.5000 0.1595 0.3868 ( 3664 PWs) bands (ev): -90.5586 -90.5586 -89.2223 -89.2223 -89.2108 -89.2108 -89.2014 -89.2014 -89.2014 -89.2014 2.5063 2.5109 2.7503 2.7546 4.4996 4.5122 5.1859 5.2233 5.8004 5.8734 6.1765 6.2933 6.3329 6.4235 7.7711 7.8466 7.8757 7.9715 8.7402 8.7639 12.2541 12.2777 13.0848 13.1442 14.2285 14.3141 15.7403 15.7790 k = 0.5000 0.1671 0.3760 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2225 -89.2225 -89.2106 -89.2106 -89.2014 -89.2014 -89.2014 -89.2014 2.4687 2.4728 2.7267 2.7307 4.5463 4.5591 5.1825 5.2183 5.8186 5.8985 6.1721 6.2922 6.3270 6.4167 7.7997 7.8574 7.9465 8.0373 8.7218 8.7477 12.3112 12.3310 13.0187 13.0781 14.2418 14.3222 15.6363 15.6743 k = 0.5000 0.1747 0.3653 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2226 -89.2226 -89.2104 -89.2104 -89.2014 -89.2014 -89.2014 -89.2014 2.4325 2.4363 2.7050 2.7087 4.5922 4.6052 5.1769 5.2105 5.8371 5.9235 6.1690 6.2912 6.3217 6.4099 7.8116 7.8554 8.0264 8.1108 8.7126 8.7406 12.3603 12.3766 12.9535 13.0127 14.2505 14.3245 15.5491 15.5857 k = 0.5000 0.1823 0.3545 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2228 -89.2228 -89.2102 -89.2102 -89.2014 -89.2014 -89.2014 -89.2014 2.3981 2.4014 2.6850 2.6883 4.6370 4.6501 5.1700 5.2012 5.8551 5.9474 6.1673 6.2903 6.3169 6.4029 7.8115 7.8465 8.1088 8.1883 8.7121 8.7418 12.4004 12.4146 12.8896 12.9484 14.2525 14.3186 15.4820 15.5170 k = 0.5000 0.1899 0.3438 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2230 -89.2230 -89.2100 -89.2100 -89.2014 -89.2014 -89.2014 -89.2014 2.3656 2.3686 2.6665 2.6695 4.6804 4.6934 5.1626 5.1911 5.8720 5.9692 6.1674 6.2895 6.3126 6.3957 7.8030 7.8320 8.1919 8.2674 8.7193 8.7502 12.4306 12.4451 12.8277 12.8857 14.2456 14.3029 15.4380 15.4713 k = 0.5000 0.1975 0.3330 ( 3682 PWs) bands (ev): -90.5586 -90.5586 -89.2231 -89.2231 -89.2099 -89.2099 -89.2014 -89.2014 -89.2014 -89.2014 2.3351 2.3377 2.6496 2.6523 4.7220 4.7348 5.1554 5.1810 5.8873 5.9881 6.1693 6.2887 6.3087 6.3883 7.7884 7.8132 8.2747 8.3466 8.7330 8.7645 12.4508 12.4679 12.7685 12.8253 14.2288 14.2770 15.4182 15.4500 k = 0.5000 0.2051 0.3223 ( 3686 PWs) bands (ev): -90.5586 -90.5586 -89.2233 -89.2233 -89.2097 -89.2097 -89.2014 -89.2014 -89.2014 -89.2014 2.3068 2.3091 2.6341 2.6366 4.7615 4.7738 5.1490 5.1716 5.9011 6.0037 6.1733 6.2877 6.3054 6.3807 7.7699 7.7914 8.3564 8.4246 8.7518 8.7831 12.4614 12.4822 12.7128 12.7677 14.2028 14.2421 15.4223 15.4530 k = 0.5000 0.2127 0.3116 ( 3684 PWs) bands (ev): -90.5586 -90.5586 -89.2234 -89.2234 -89.2096 -89.2096 -89.2014 -89.2014 -89.2014 -89.2014 2.2806 2.2827 2.6201 2.6223 4.7983 4.8099 5.1438 5.1633 5.9134 6.0156 6.1795 6.2864 6.3025 6.3727 7.7491 7.7679 8.4360 8.5003 8.7743 8.8047 12.4634 12.4872 12.6617 12.7135 14.1694 14.2007 15.4481 15.4782 k = 0.5000 0.2203 0.3008 ( 3682 PWs) bands (ev): -90.5586 -90.5586 -89.2235 -89.2235 -89.2095 -89.2095 -89.2014 -89.2014 -89.2014 -89.2014 2.2568 2.2586 2.6075 2.6094 4.8320 4.8424 5.1404 5.1567 5.9242 6.0239 6.1874 6.2848 6.3000 6.3645 7.7274 7.7439 8.5125 8.5727 8.7993 8.8281 12.4575 12.4825 12.6166 12.6634 14.1316 14.1562 15.4926 15.5222 k = 0.5000 0.2279 0.2901 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2236 -89.2236 -89.2094 -89.2094 -89.2014 -89.2014 -89.2014 -89.2014 2.2354 2.2369 2.5962 2.5979 4.8620 4.8709 5.1390 5.1522 5.9339 6.0289 6.1968 6.2830 6.2979 6.3560 7.7059 7.7203 8.5850 8.6404 8.8257 8.8522 12.4451 12.4680 12.5787 12.6180 14.0923 14.1115 15.5521 15.5815 k = 0.5000 0.2355 0.2793 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2237 -89.2237 -89.2093 -89.2093 -89.2014 -89.2014 -89.2014 -89.2014 2.2164 2.2177 2.5863 2.5877 4.8878 4.8948 5.1399 5.1500 5.9427 6.0310 6.2071 6.2811 6.2959 6.3472 7.6853 7.6978 8.6522 8.7021 8.8529 8.8762 12.4275 12.4455 12.5479 12.5774 14.0541 14.0691 15.6235 15.6527 k = 0.5000 0.2431 0.2686 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2238 -89.2238 -89.2092 -89.2092 -89.2014 -89.2014 -89.2014 -89.2014 2.1998 2.2009 2.5777 2.5789 4.9090 4.9140 5.1430 5.1504 5.9509 6.0306 6.2178 6.2794 6.2939 6.3381 7.6666 7.6772 8.7129 8.7564 8.8802 8.8994 12.4067 12.4187 12.5224 12.5420 14.0190 14.0307 15.7034 15.7324 k = 0.5000 0.2507 0.2578 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1858 2.1867 2.5705 2.5715 4.9255 4.9288 5.1476 5.1530 5.9588 6.0283 6.2287 6.2780 6.2917 6.3288 7.6501 7.6588 8.7659 8.8018 8.9072 8.9215 12.3848 12.3918 12.5002 12.5116 13.9882 13.9974 15.7888 15.8174 k = 0.5000 0.2583 0.2471 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1743 2.1750 2.5646 2.5654 4.9377 4.9395 5.1531 5.1573 5.9666 6.0243 6.2394 6.2772 6.2894 6.3193 7.6363 7.6432 8.8098 8.8375 8.9329 8.9420 12.3638 12.3673 12.4806 12.4864 13.9627 13.9697 15.8761 15.9037 k = 0.5000 0.2659 0.2364 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1653 2.1658 2.5601 2.5607 4.9461 4.9469 5.1588 5.1621 5.9743 6.0189 6.2499 6.2771 6.2870 6.3097 7.6254 7.6307 8.8440 8.8635 8.9559 8.9604 12.3457 12.3471 12.4639 12.4663 13.9428 13.9480 15.9610 15.9862 k = 0.5000 0.2735 0.2256 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1589 2.1593 2.5569 2.5573 4.9514 4.9516 5.1638 5.1662 5.9821 6.0126 6.2603 6.2776 6.2846 6.3000 7.6178 7.6213 8.8684 8.8805 8.9739 8.9754 12.3317 12.3322 12.4511 12.4518 13.9288 13.9323 16.0368 16.0574 k = 0.5000 0.2811 0.2149 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1551 2.1553 2.5550 2.5552 4.9543 4.9543 5.1674 5.1687 5.9900 6.0054 6.2704 6.2787 6.2824 6.2902 7.6135 7.6153 8.8835 8.8893 8.9853 8.9855 12.3229 12.3230 12.4429 12.4431 13.9208 13.9225 16.0939 16.1059 k = 0.5000 0.2887 0.2041 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1539 2.1539 2.5544 2.5544 4.9552 4.9552 5.1691 5.1691 5.9978 5.9978 6.2803 6.2803 6.2804 6.2804 7.6127 7.6127 8.8903 8.8903 8.9891 8.9891 12.3199 12.3199 12.4401 12.4401 13.9187 13.9187 16.1196 16.1196 k = 0.5000 0.2887 0.2041 ( 3648 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1539 2.1539 2.5544 2.5544 4.9552 4.9552 5.1691 5.1691 5.9978 5.9978 6.2803 6.2803 6.2804 6.2804 7.6127 7.6127 8.8903 8.8903 8.9891 8.9891 12.3199 12.3199 12.4401 12.4401 13.9187 13.9187 16.1196 16.1196 k = 0.4962 0.2865 0.2165 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1551 2.1553 2.5550 2.5552 4.9543 4.9543 5.1674 5.1687 5.9900 6.0054 6.2704 6.2786 6.2824 6.2902 7.6135 7.6152 8.8836 8.8893 8.9854 8.9855 12.3229 12.3230 12.4429 12.4430 13.9208 13.9225 16.0940 16.1060 k = 0.4924 0.2843 0.2289 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1589 2.1593 2.5568 2.5572 4.9515 4.9516 5.1638 5.1662 5.9822 6.0125 6.2604 6.2772 6.2850 6.2999 7.6178 7.6212 8.8685 8.8805 8.9743 8.9751 12.3318 12.3320 12.4512 12.4515 13.9288 13.9322 16.0372 16.0577 k = 0.4886 0.2821 0.2412 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2240 -89.2240 -89.2090 -89.2090 -89.2014 -89.2014 -89.2014 -89.2014 2.1653 2.1658 2.5600 2.5606 4.9464 4.9467 5.1589 5.1620 5.9744 6.0189 6.2503 6.2759 6.2882 6.3094 7.6254 7.6306 8.8445 8.8635 8.9570 8.9595 12.3461 12.3466 12.4648 12.4651 13.9427 13.9478 15.9617 15.9869 k = 0.4848 0.2799 0.2536 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1742 2.1749 2.5646 2.5654 4.9383 4.9391 5.1536 5.1570 5.9667 6.0242 6.2400 6.2744 6.2921 6.3188 7.6361 7.6431 8.8110 8.8376 8.9351 8.9398 12.3651 12.3663 12.4827 12.4831 13.9626 13.9694 15.8772 15.9045 k = 0.4811 0.2777 0.2660 ( 3681 PWs) bands (ev): -90.5586 -90.5586 -89.2239 -89.2239 -89.2091 -89.2091 -89.2014 -89.2014 -89.2014 -89.2014 2.1856 2.1865 2.5704 2.5714 4.9266 4.9280 5.1489 5.1520 5.9590 6.0282 6.2296 6.2727 6.2968 6.3280 7.6499 7.6586 8.7685 8.8022 8.9103 8.9171 12.3883 12.3900 12.5041 12.5047 13.9882 13.9966 15.7903 15.8184 k = 0.4773 0.2756 0.2784 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2238 -89.2238 -89.2092 -89.2092 -89.2014 -89.2014 -89.2014 -89.2014 2.1996 2.2007 2.5776 2.5788 4.9105 4.9127 5.1457 5.1482 5.9513 6.0305 6.2192 6.2706 6.3021 6.3370 7.6663 7.6767 8.7180 8.7581 8.8834 8.8917 12.4146 12.4166 12.5277 12.5292 14.0195 14.0293 15.7055 15.7336 k = 0.4735 0.2734 0.2907 ( 3679 PWs) bands (ev): -90.5586 -90.5586 -89.2237 -89.2237 -89.2093 -89.2093 -89.2014 -89.2014 -89.2014 -89.2014 2.2160 2.2173 2.5861 2.5875 4.8898 4.8928 5.1448 5.1462 5.9434 6.0307 6.2087 6.2680 6.3082 6.3459 7.6849 7.6971 8.6610 8.7067 8.8546 8.8638 12.4430 12.4445 12.5528 12.5561 14.0557 14.0668 15.6262 15.6539 k = 0.4697 0.2712 0.3031 ( 3683 PWs) bands (ev): -90.5586 -90.5586 -89.2236 -89.2236 -89.2094 -89.2094 -89.2014 -89.2014 -89.2014 -89.2014 2.2349 2.2365 2.5960 2.5976 4.8643 4.8680 5.1465 5.1466 5.9350 6.0286 6.1985 6.2646 6.3150 6.3547 7.7052 7.7190 8.5994 8.6499 8.8237 8.8333 12.4713 12.4715 12.5793 12.5857 14.0960 14.1079 15.5554 15.5827 k = 0.4659 0.2690 0.3155 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2235 -89.2235 -89.2095 -89.2095 -89.2014 -89.2014 -89.2014 -89.2014 2.2563 2.2580 2.6072 2.6091 4.8344 4.8386 5.1497 5.1509 5.9259 6.0237 6.1886 6.2604 6.3224 6.3636 7.7263 7.7416 8.5353 8.5900 8.7906 8.8003 12.4938 12.4971 12.6082 12.6192 14.1386 14.1510 15.4963 15.5234 k = 0.4621 0.2668 0.3278 ( 3677 PWs) bands (ev): -90.5586 -90.5586 -89.2234 -89.2234 -89.2096 -89.2096 -89.2014 -89.2014 -89.2014 -89.2014 2.2799 2.2820 2.6197 2.6219 4.8005 4.8049 5.1552 5.1577 5.9158 6.0155 6.1794 6.2554 6.3305 6.3728 7.7471 7.7636 8.4708 8.5291 8.7552 8.7648 12.5092 12.5158 12.6418 12.6578 14.1817 14.1938 15.4521 15.4793 k = 0.4583 0.2646 0.3402 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2233 -89.2233 -89.2097 -89.2097 -89.2014 -89.2014 -89.2014 -89.2014 2.3059 2.3082 2.6337 2.6361 4.7630 4.7674 5.1631 5.1668 5.9045 6.0038 6.1711 6.2495 6.3392 6.3822 7.7660 7.7830 8.4088 8.4697 8.7177 8.7269 12.5154 12.5247 12.6816 12.7020 14.2225 14.2339 15.4259 15.4538 k = 0.4545 0.2624 0.3526 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2231 -89.2231 -89.2099 -89.2099 -89.2014 -89.2014 -89.2014 -89.2014 2.3341 2.3367 2.6490 2.6517 4.7224 4.7266 5.1730 5.1779 5.8917 5.9883 6.1639 6.2428 6.3486 6.3921 7.7809 7.7970 8.3528 8.4147 8.6780 8.6869 12.5117 12.5228 12.7276 12.7513 14.2588 14.2686 15.4206 15.4497 k = 0.4508 0.2602 0.3649 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2230 -89.2230 -89.2100 -89.2100 -89.2014 -89.2014 -89.2014 -89.2014 2.3644 2.3673 2.6658 2.6688 4.6791 4.6829 5.1847 5.1907 5.8771 5.9691 6.1578 6.2355 6.3587 6.4027 7.7889 7.8020 8.3071 8.3677 8.6365 8.6448 12.4982 12.5101 12.7788 12.8050 14.2885 14.2963 15.4382 15.4689 k = 0.4470 0.2581 0.3773 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2228 -89.2228 -89.2102 -89.2102 -89.2014 -89.2014 -89.2014 -89.2014 2.3967 2.4000 2.6841 2.6874 4.6334 4.6367 5.1980 5.2051 5.8604 5.9461 6.1527 6.2277 6.3694 6.4139 7.7869 7.7938 8.2762 8.3322 8.5931 8.6008 12.4749 12.4873 12.8341 12.8624 14.3110 14.3164 15.4789 15.5116 k = 0.4432 0.2559 0.3897 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2227 -89.2226 -89.2104 -89.2104 -89.2014 -89.2014 -89.2014 -89.2014 2.4308 2.4345 2.7039 2.7075 4.5856 4.5883 5.2127 5.2207 5.8416 5.9199 6.1485 6.2198 6.3810 6.4260 7.7701 7.7723 8.2627 8.3111 8.5483 8.5552 12.4423 12.4546 12.8929 12.9228 14.3272 14.3301 15.5416 15.5763 k = 0.4394 0.2537 0.4021 ( 3675 PWs) bands (ev): -90.5586 -90.5586 -89.2225 -89.2225 -89.2106 -89.2106 -89.2014 -89.2014 -89.2014 -89.2014 2.4667 2.4708 2.7254 2.7293 4.5360 4.5379 5.2285 5.2375 5.8203 5.8906 6.1451 6.2118 6.3933 6.4389 7.7319 7.7446 8.2658 8.3050 8.5021 8.5082 12.4007 12.4129 12.9545 12.9858 14.3386 14.3392 15.6235 15.6602 k = 0.4356 0.2515 0.4144 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2223 -89.2223 -89.2107 -89.2107 -89.2014 -89.2014 -89.2014 -89.2014 2.5041 2.5086 2.7485 2.7528 4.4848 4.4859 5.2453 5.2553 5.7968 5.8587 6.1422 6.2040 6.4063 6.4527 7.6829 7.7055 8.2822 8.3122 8.4550 8.4599 12.3509 12.3626 13.0186 13.0511 14.3461 14.3477 15.7213 15.7599 k = 0.4318 0.2493 0.4268 ( 3669 PWs) bands (ev): -90.5586 -90.5586 -89.2221 -89.2221 -89.2109 -89.2109 -89.2014 -89.2014 -89.2014 -89.2014 2.5426 2.5477 2.7736 2.7781 4.4320 4.4322 5.2629 5.2738 5.7710 5.8246 6.1399 6.1967 6.4202 6.4674 7.6269 7.6582 8.3074 8.3287 8.4081 8.4109 12.2936 12.3046 13.0847 13.1182 14.3529 14.3563 15.8318 15.8721 k = 0.4280 0.2471 0.4392 ( 3671 PWs) bands (ev): -90.5586 -90.5586 -89.2219 -89.2219 -89.2112 -89.2112 -89.2014 -89.2014 -89.2014 -89.2014 2.5822 2.5877 2.8006 2.8054 4.3772 4.3778 5.2810 5.2928 5.7433 5.7890 6.1379 6.1900 6.4349 6.4832 7.5672 7.6057 8.3347 8.3380 8.3650 8.3750 12.2297 12.2398 13.1526 13.1869 14.3611 14.3661 15.9519 15.9936 k = 0.4242 0.2449 0.4515 ( 3673 PWs) bands (ev): -90.5586 -90.5586 -89.2216 -89.2216 -89.2114 -89.2114 -89.2014 -89.2014 -89.2014 -89.2014 2.6223 2.6282 2.8298 2.8349 4.3209 4.3224 5.2994 5.3120 5.7140 5.7524 6.1364 6.1841 6.4504 6.4998 7.5061 7.5504 8.2994 8.3053 8.3787 8.3941 12.1600 12.1692 13.2219 13.2569 14.3720 14.3783 16.0787 16.1218 k = 0.4205 0.2427 0.4639 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2214 -89.2214 -89.2116 -89.2116 -89.2014 -89.2014 -89.2014 -89.2014 2.6626 2.6689 2.8615 2.8666 4.2635 4.2660 5.3176 5.3310 5.6837 5.7155 6.1354 6.1790 6.4665 6.5174 7.4450 7.4942 8.2499 8.2544 8.4155 8.4266 12.0855 12.0936 13.2923 13.3278 14.3861 14.3935 16.2096 16.2540 k = 0.4167 0.2406 0.4763 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2212 -89.2212 -89.2118 -89.2118 -89.2014 -89.2014 -89.2014 -89.2014 2.7026 2.7092 2.8957 2.9007 4.2051 4.2086 5.3353 5.3493 5.6533 5.6792 6.1348 6.1748 6.4832 6.5359 7.3848 7.4383 8.1987 8.2022 8.4541 8.4620 12.0072 12.0141 13.3637 13.3995 14.4039 14.4123 16.3421 16.3878 k = 0.4129 0.2384 0.4887 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2209 -89.2209 -89.2121 -89.2121 -89.2014 -89.2014 -89.2014 -89.2014 2.7421 2.7487 2.9326 2.9372 4.1461 4.1506 5.3514 5.3660 5.6239 5.6448 6.1347 6.1716 6.5004 6.5552 7.3263 7.3836 8.1470 8.1495 8.4930 8.4984 11.9259 11.9315 13.4356 13.4716 14.4255 14.4347 16.4733 16.5203 k = 0.4091 0.2362 0.5010 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2207 -89.2207 -89.2123 -89.2123 -89.2014 -89.2014 -89.2014 -89.2014 2.7806 2.7871 2.9720 2.9759 4.0868 4.0924 5.3651 5.3797 5.5970 5.6139 6.1353 6.1694 6.5179 6.5751 7.2698 7.3308 8.0949 8.0966 8.5315 8.5348 11.8424 11.8468 13.5079 13.5440 14.4509 14.4607 16.5892 16.6319 k = 0.4053 0.2340 0.5134 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2205 -89.2204 -89.2126 -89.2126 -89.2014 -89.2014 -89.2014 -89.2014 2.8180 2.8241 3.0136 3.0164 4.0275 4.0343 5.3744 5.3885 5.5748 5.5889 6.1366 6.1682 6.5354 6.5955 7.2158 7.2806 8.0427 8.0438 8.5690 8.5706 11.7576 11.7608 13.5803 13.6162 14.4799 14.4904 16.6142 16.6466 k = 0.4015 0.2318 0.5258 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2202 -89.2202 -89.2128 -89.2128 -89.2014 -89.2014 -89.2014 -89.2014 2.8539 2.8595 3.0566 3.0580 3.9690 3.9771 5.3773 5.3899 5.5598 5.5726 6.1387 6.1681 6.5525 6.6161 7.1647 7.2333 7.9906 7.9911 8.6048 8.6050 11.6722 11.6742 13.6525 13.6882 14.5125 14.5235 16.6230 16.6541 k = 0.3977 0.2296 0.5381 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2200 -89.2200 -89.2131 -89.2131 -89.2014 -89.2014 -89.2014 -89.2014 2.8882 2.8931 3.0997 3.1001 3.9122 3.9219 5.3725 5.3827 5.5536 5.5665 6.1416 6.1692 6.5688 6.6364 7.1168 7.1897 7.9388 7.9388 8.6376 8.6387 11.5868 11.5876 13.7242 13.7596 14.5483 14.5599 16.6335 16.6635 k = 0.3939 0.2274 0.5505 ( 3674 PWs) bands (ev): -90.5586 -90.5586 -89.2197 -89.2197 -89.2133 -89.2133 -89.2014 -89.2014 -89.2014 -89.2014 2.9205 2.9247 3.1400 3.1427 3.8587 3.8701 5.3611 5.3686 5.5557 5.5693 6.1456 6.1713 6.5836 6.6558 7.0729 7.1504 7.8872 7.8875 8.6680 8.6702 11.5018 11.5021 13.7953 13.8302 14.5872 14.5993 16.6466 16.6755 k = 0.3902 0.2253 0.5629 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2195 -89.2195 -89.2135 -89.2135 -89.2014 -89.2014 -89.2014 -89.2014 2.9501 2.9535 3.1774 3.1826 3.8106 3.8240 5.3458 5.3508 5.5638 5.5780 6.1506 6.1746 6.5961 6.6730 7.0340 7.1162 7.8363 7.8369 8.6958 8.6989 11.4174 11.4186 13.8655 13.8997 14.6289 14.6415 16.6623 16.6901 k = 0.3864 0.2231 0.5753 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2193 -89.2192 -89.2138 -89.2138 -89.2014 -89.2014 -89.2014 -89.2014 2.9758 2.9784 3.2098 3.2179 3.7709 3.7865 5.3294 5.3323 5.5753 5.5899 6.1567 6.1790 6.6053 6.6865 7.0018 7.0882 7.7865 7.7871 8.7205 8.7245 11.3347 11.3369 13.9346 13.9680 14.6732 14.6863 16.6806 16.7072 k = 0.3826 0.2209 0.5876 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2190 -89.2190 -89.2140 -89.2140 -89.2014 -89.2014 -89.2014 -89.2014 2.9954 2.9973 3.2358 3.2466 3.7432 3.7609 5.3141 5.3155 5.5884 5.6031 6.1639 6.1844 6.6101 6.6938 6.9786 7.0675 7.7380 7.7385 8.7419 8.7467 11.2545 11.2575 14.0024 14.0349 14.7197 14.7333 16.7016 16.7269 k = 0.3788 0.2187 0.6000 ( 3667 PWs) bands (ev): -90.5586 -90.5586 -89.2189 -89.2189 -89.2142 -89.2142 -89.2014 -89.2014 -89.2014 -89.2014 3.0055 3.0069 3.2559 3.2687 3.7307 3.7499 5.3016 5.3018 5.6020 5.6164 6.1721 6.1907 6.6097 6.6926 6.9666 7.0549 7.6912 7.6913 8.7595 8.7652 11.1771 11.1808 14.0686 14.1001 14.7682 14.7823 16.7250 16.7490 k = 0.3750 0.2165 0.6124 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.6250-0.0722 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2187 -89.2187 -89.2143 -89.2143 -89.2014 -89.2014 -89.2014 -89.2014 3.0020 3.0032 3.2731 3.2867 3.7343 3.7540 5.2921 5.2928 5.6153 5.6291 6.1811 6.1978 6.6038 6.6819 6.9668 7.0509 7.6457 7.6463 8.7733 8.7796 11.1029 11.1073 14.1332 14.1635 14.8184 14.8330 16.7505 16.7731 k = 0.6184-0.0836 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2185 -89.2185 -89.2145 -89.2145 -89.2014 -89.2014 -89.2014 -89.2014 2.9776 2.9789 3.3034 3.3168 3.7579 3.7775 5.2824 5.2842 5.6392 5.6514 6.1968 6.2101 6.5884 6.6565 6.9760 7.0513 7.5690 7.5710 8.7908 8.7984 10.9796 10.9849 14.2440 14.2724 14.9089 14.9244 16.7950 16.8151 k = 0.6118-0.0950 0.4082 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2183 -89.2183 -89.2147 -89.2147 -89.2014 -89.2014 -89.2014 -89.2014 2.9482 2.9496 3.3297 3.3425 3.7889 3.8079 5.2796 5.2820 5.6652 5.6756 6.2113 6.2216 6.5733 6.6328 6.9830 7.0514 7.4938 7.4973 8.8022 8.8114 10.8619 10.8682 14.3554 14.3818 15.0032 15.0194 16.8360 16.8534 k = 0.6053-0.1064 0.4082 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2181 -89.2181 -89.2149 -89.2149 -89.2014 -89.2014 -89.2014 -89.2014 2.9173 2.9187 3.3497 3.3616 3.8256 3.8436 5.2844 5.2874 5.6930 5.7013 6.2246 6.2322 6.5589 6.6109 6.9874 7.0506 7.4203 7.4254 8.8071 8.8180 10.7508 10.7581 14.4673 14.4916 15.1011 15.1181 16.8728 16.8875 k = 0.5987-0.1177 0.4082 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2179 -89.2179 -89.2151 -89.2151 -89.2014 -89.2014 -89.2014 -89.2014 2.8864 2.8878 3.3637 3.3744 3.8652 3.8820 5.2978 5.3011 5.7222 5.7284 6.2363 6.2418 6.5456 6.5908 6.9889 7.0482 7.3485 7.3553 8.8047 8.8175 10.6475 10.6559 14.5793 14.6017 15.2025 15.2202 16.9049 16.9167 k = 0.5921-0.1291 0.4082 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2177 -89.2177 -89.2153 -89.2153 -89.2014 -89.2014 -89.2014 -89.2014 2.8563 2.8577 3.3726 3.3822 3.9051 3.9205 5.3203 5.3238 5.7526 5.7567 6.2465 6.2504 6.5339 6.5725 6.9874 7.0436 7.2784 7.2870 8.7949 8.8095 10.5531 10.5624 14.6915 14.7118 15.3073 15.3256 16.9314 16.9402 k = 0.5855-0.1405 0.4082 ( 3676 PWs) bands (ev): -90.5586 -90.5586 -89.2176 -89.2176 -89.2154 -89.2154 -89.2014 -89.2014 -89.2014 -89.2014 2.8276 2.8289 3.3779 3.3864 3.9430 3.9570 5.3523 5.3558 5.7842 5.7861 6.2548 6.2581 6.5241 6.5560 6.9825 7.0362 7.2102 7.2206 8.7773 8.7937 10.4682 10.4784 14.8036 14.8218 15.4151 15.4340 16.9515 16.9574 k = 0.5789-0.1519 0.4082 ( 3678 PWs) bands (ev): -90.5586 -90.5586 -89.2174 -89.2174 -89.2156 -89.2156 -89.2014 -89.2014 -89.2014 -89.2014 2.8004 2.8017 3.3806 3.3880 3.9773 3.9900 5.3937 5.3970 5.8165 5.8168 6.2613 6.2648 6.5164 6.5411 6.9738 7.0250 7.1445 7.1561 8.7524 8.7704 10.3936 10.4044 14.9153 14.9315 15.5258 15.5451 16.9646 16.9675 k = 0.5724-0.1633 0.4082 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2173 -89.2173 -89.2157 -89.2157 -89.2014 -89.2014 -89.2014 -89.2014 2.7750 2.7762 3.3814 3.3880 4.0073 4.0187 5.4441 5.4470 5.8478 5.8502 6.2659 6.2708 6.5109 6.5280 6.9610 7.0082 7.0825 7.0938 8.7208 8.7401 10.3292 10.3405 15.0264 15.0406 15.6389 15.6586 16.9699 16.9702 k = 0.5658-0.1747 0.4082 ( 3668 PWs) bands (ev): -90.5586 -90.5586 -89.2171 -89.2171 -89.2159 -89.2159 -89.2014 -89.2014 -89.2014 -89.2014 2.7516 2.7526 3.3811 3.3869 4.0326 4.0428 5.5026 5.5050 5.8798 5.8842 6.2688 6.2761 6.5076 6.5163 6.9437 6.9805 7.0291 7.0336 8.6836 8.7038 10.2750 10.2863 15.1365 15.1487 15.7541 15.7739 16.9648 16.9671 k = 0.5592-0.1861 0.4082 ( 3670 PWs) bands (ev): -90.5586 -90.5586 -89.2170 -89.2170 -89.2160 -89.2160 -89.2014 -89.2014 -89.2014 -89.2014 2.7301 2.7311 3.3801 3.3851 4.0533 4.0623 5.5682 5.5698 5.9123 5.9187 6.2702 6.2811 6.5060 6.5064 6.9216 6.9349 6.9760 6.9911 8.6424 8.6629 10.2302 10.2414 15.2451 15.2553 15.8706 15.8904 16.9514 16.9559 k = 0.5526-0.1975 0.4082 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2169 -89.2169 -89.2161 -89.2161 -89.2014 -89.2014 -89.2014 -89.2014 2.7108 2.7116 3.3786 3.3830 4.0699 4.0778 5.6395 5.6399 5.9452 5.9533 6.2705 6.2860 6.4970 6.5072 6.8801 6.8943 6.9209 6.9593 8.5990 8.6194 10.1941 10.2047 15.3516 15.3599 15.9878 16.0074 16.9301 16.9363 k = 0.5461-0.2089 0.4082 ( 3666 PWs) bands (ev): -90.5586 -90.5586 -89.2168 -89.2168 -89.2162 -89.2162 -89.2014 -89.2014 -89.2014 -89.2014 2.6936 2.6944 3.3770 3.3808 4.0828 4.0896 5.7137 5.7147 5.9781 5.9876 6.2704 6.2912 6.4891 6.5094 6.8243 6.8615 6.8690 6.9257 8.5555 8.5751 10.1654 10.1753 15.4552 15.4617 16.1046 16.1237 16.9014 16.9088 k = 0.5395-0.2203 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2167 -89.2167 -89.2163 -89.2163 -89.2014 -89.2014 -89.2014 -89.2014 2.6786 2.6793 3.3754 3.3786 4.0928 4.0985 5.7891 5.7921 6.0105 6.0212 6.2706 6.2973 6.4822 6.5127 6.7701 6.8197 6.8243 6.8879 8.5139 8.5321 10.1432 10.1520 15.5548 15.5596 16.2195 16.2378 16.8663 16.8745 k = 0.5329-0.2317 0.4082 ( 3660 PWs) bands (ev): -90.5586 -90.5586 -89.2167 -89.2167 -89.2163 -89.2163 -89.2014 -89.2014 -89.2014 -89.2014 2.6659 2.6664 3.3739 3.3765 4.1002 4.1050 5.8635 5.8690 6.0419 6.0534 6.2722 6.3049 6.4764 6.5162 6.7188 6.7749 6.7819 6.8460 8.4758 8.4921 10.1264 10.1340 15.6489 15.6521 16.3305 16.3476 16.8265 16.8349 k = 0.5263-0.2431 0.4082 ( 3656 PWs) bands (ev): -90.5586 -90.5586 -89.2166 -89.2166 -89.2164 -89.2164 -89.2014 -89.2014 -89.2014 -89.2014 2.6555 2.6559 3.3726 3.3747 4.1057 4.1095 5.9337 5.9423 6.0713 6.0831 6.2770 6.3149 6.4717 6.5187 6.6723 6.7339 6.7368 6.8006 8.4431 8.4569 10.1140 10.1203 15.7353 15.7371 16.4347 16.4500 16.7843 16.7923 k = 0.5197-0.2545 0.4082 ( 3672 PWs) bands (ev): -90.5586 -90.5586 -89.2166 -89.2166 -89.2164 -89.2164 -89.2014 -89.2014 -89.2014 -89.2014 2.6473 2.6477 3.3716 3.3732 4.1097 4.1125 5.9957 6.0072 6.0972 6.1091 6.2880 6.3282 6.4678 6.5164 6.6345 6.6903 6.6992 6.7534 8.4168 8.4276 10.1054 10.1102 15.8108 15.8116 16.5277 16.5406 16.7431 16.7501 k = 0.5132-0.2659 0.4082 ( 3680 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6415 2.6417 3.3710 3.3720 4.1124 4.1143 6.0447 6.0573 6.1180 6.1293 6.3083 6.3454 6.4630 6.5035 6.6124 6.6510 6.6694 6.7078 8.3980 8.4054 10.0999 10.1031 15.8711 15.8712 16.6037 16.6131 16.7077 16.7129 k = 0.5066-0.2773 0.4082 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6380 2.6382 3.3706 3.3712 4.1141 4.1151 6.0773 6.0863 6.1329 6.1408 6.3371 6.3624 6.4559 6.4796 6.6086 6.6267 6.6480 6.6688 8.3873 8.3911 10.0971 10.0987 15.9105 15.9107 16.6549 16.6598 16.6838 16.6869 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -90.5586 -90.5586 -89.2165 -89.2165 -89.2165 -89.2165 -89.2014 -89.2014 -89.2014 -89.2014 2.6369 2.6369 3.3707 3.3707 4.1150 4.1150 6.0919 6.0919 6.1416 6.1416 6.3620 6.3620 6.4581 6.4581 6.6157 6.6157 6.6452 6.6452 8.3849 8.3849 10.0967 10.0967 15.9245 15.9245 16.6711 16.6711 16.6799 16.6799 Writing output data file Be5Pd.save init_run : 4.26s CPU 13.46s WALL ( 1 calls) electrons : 621.41s CPU 628.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.36s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 621.39s CPU 628.08s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.10s CPU 0.54s WALL ( 1 calls) newd : 0.32s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 353 calls) cegterg : 570.51s CPU 574.82s WALL ( 986 calls) Called by sum_band: Called by *egterg: h_psi : 295.55s CPU 304.96s WALL ( 18508 calls) s_psi : 20.26s CPU 20.85s WALL ( 18508 calls) g_psi : 0.67s CPU 0.77s WALL ( 17169 calls) cdiaghg : 179.45s CPU 175.87s WALL ( 17522 calls) cegterg:over : 49.26s CPU 45.17s WALL ( 17169 calls) cegterg:upda : 7.31s CPU 11.57s WALL ( 17169 calls) cegterg:last : 7.65s CPU 9.02s WALL ( 3340 calls) Called by h_psi: h_psi:vloc : 246.35s CPU 255.01s WALL ( 18508 calls) h_psi:vnl : 48.98s CPU 49.16s WALL ( 18508 calls) add_vuspsi : 12.25s CPU 17.21s WALL ( 18508 calls) General routines calbec : 36.67s CPU 31.79s WALL ( 18508 calls) fft : 0.32s CPU 1.12s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 226.15s CPU 232.12s WALL ( 1541560 calls) interpolate : 0.12s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 0.85s WALL ( 706 calls) Parallel routines fft_scatter : 144.75s CPU 145.16s WALL ( 1541583 calls) PWSCF : 11m 8.05s CPU 12m42.82s WALL This run was terminated on: 4:43:34 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=