Program PWSCF v.5.1.1 starts on 28Aug2015 at 7: 8:42 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: ./Be5Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 65 26 7 2432 605 93 Max 68 27 8 2433 622 98 Sum 3145 1261 361 116749 29603 4573 bravais-lattice index = 14 lattice parameter (alat) = 8.0228 a.u. unit-cell volume = 365.1393 (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)= 8.022773 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 Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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) Pt 10.00 195.08400 Pt( 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= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028409 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028409 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028409 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028409 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028409 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028409 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028409 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028409 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028409 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028409 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028409 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028409 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028409 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028409 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028409 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028409 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028409 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028409 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028409 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028409 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028409 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028409 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028409 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028409 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028409 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028409 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028409 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028409 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028409 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028409 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028409 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028409 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028409 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028409 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028409 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028409 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028409 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028409 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028409 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028409 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028409 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028409 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028409 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028409 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028409 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028409 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028409 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028409 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028409 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028409 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028409 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028409 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028409 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028409 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028409 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028409 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028409 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028409 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028409 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028409 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028409 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028409 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028409 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028409 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028409 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028409 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028409 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028409 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028409 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028409 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028409 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028409 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028409 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028409 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028409 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028409 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028409 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028409 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028409 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028409 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028409 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028409 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028409 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028409 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028409 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028409 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028409 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028409 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028409 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028409 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028409 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028409 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028409 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028409 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028409 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028409 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028409 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028409 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028409 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028409 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028409 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028409 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028409 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028409 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028409 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028409 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028409 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028409 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028409 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028409 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028409 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028409 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028409 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028409 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028409 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028409 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028409 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028409 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028409 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028409 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028409 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028409 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028409 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028409 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028409 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028409 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028409 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028409 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028409 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028409 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028409 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028409 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028409 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028409 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028409 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028409 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028409 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028409 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028409 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028409 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028409 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028409 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028409 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028409 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028409 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028409 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028409 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028409 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028409 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028409 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028409 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028409 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028409 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028409 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028409 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028409 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028409 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028409 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028409 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028409 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028409 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028409 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028409 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028409 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028409 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028409 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028409 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028409 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028409 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028409 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028409 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028409 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028409 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028409 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028409 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028409 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028409 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028409 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028409 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028409 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028409 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028409 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028409 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028409 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028409 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028409 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028409 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028409 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028409 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028409 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028409 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028409 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028409 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028409 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028409 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028409 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028409 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 208) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028409 k( 209) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028409 k( 210) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028409 k( 211) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028409 k( 212) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028409 k( 213) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028409 k( 214) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028409 k( 215) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028409 k( 216) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028409 k( 217) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028409 k( 218) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028409 k( 219) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028409 k( 220) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028409 k( 221) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028409 k( 222) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028409 k( 223) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028409 k( 224) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028409 k( 225) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028409 k( 226) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028409 k( 227) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028409 k( 228) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028409 k( 229) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028409 k( 230) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028409 k( 231) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028409 k( 232) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028409 k( 233) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028409 k( 234) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028409 k( 235) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028409 k( 236) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028409 k( 237) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028409 k( 238) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028409 k( 239) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028409 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 242) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028409 k( 243) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028409 k( 244) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028409 k( 245) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028409 k( 246) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028409 k( 247) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028409 k( 248) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028409 k( 249) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028409 k( 250) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028409 k( 251) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028409 k( 252) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028409 k( 253) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028409 k( 254) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028409 k( 255) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028409 k( 256) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028409 k( 257) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028409 k( 258) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028409 k( 259) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028409 k( 260) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028409 k( 261) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028409 k( 262) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028409 k( 263) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028409 k( 264) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028409 k( 265) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028409 k( 266) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028409 k( 267) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028409 k( 268) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028409 k( 269) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028409 k( 270) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028409 k( 271) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028409 k( 272) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028409 k( 273) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028409 k( 274) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028409 k( 275) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028409 k( 276) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028409 k( 277) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028409 k( 278) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028409 k( 279) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028409 k( 280) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028409 k( 281) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028409 k( 282) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028409 k( 283) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028409 k( 284) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028409 k( 285) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028409 k( 286) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028409 k( 287) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028409 k( 288) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028409 k( 289) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028409 k( 290) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028409 k( 291) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028409 k( 292) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028409 k( 293) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028409 k( 294) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028409 k( 295) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028409 k( 296) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028409 k( 297) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028409 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 299) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028409 k( 300) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028409 k( 301) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028409 k( 302) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028409 k( 303) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028409 k( 304) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028409 k( 305) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028409 k( 306) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028409 k( 307) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028409 k( 308) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028409 k( 309) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028409 k( 310) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028409 k( 311) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028409 k( 312) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028409 k( 313) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028409 k( 314) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028409 k( 315) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028409 k( 316) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028409 k( 317) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028409 k( 318) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028409 k( 319) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028409 k( 320) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028409 k( 321) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028409 k( 322) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028409 k( 323) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028409 k( 324) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028409 k( 325) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028409 k( 326) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028409 k( 327) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028409 k( 328) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028409 k( 329) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028409 k( 330) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028409 k( 331) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028409 k( 332) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028409 k( 333) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028409 k( 334) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028409 k( 335) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028409 k( 336) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028409 k( 337) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028409 k( 338) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028409 k( 339) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028409 k( 340) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028409 k( 341) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028409 k( 342) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028409 k( 343) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028409 k( 344) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028409 k( 345) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028409 k( 346) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028409 k( 347) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028409 k( 348) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028409 k( 349) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028409 k( 350) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028409 k( 351) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028409 k( 352) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028409 k( 3) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028409 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028409 k( 5) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028409 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028409 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028409 k( 8) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028409 k( 9) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028409 k( 10) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028409 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028409 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028409 k( 13) = ( 0.1132076 0.0000000 0.1132076), wk = 0.0028409 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028409 k( 15) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028409 k( 16) = ( 0.1415094 0.0000000 0.1415094), wk = 0.0028409 k( 17) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028409 k( 18) = ( 0.1603774 0.0000000 0.1603774), wk = 0.0028409 k( 19) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028409 k( 20) = ( 0.1792453 0.0000000 0.1792453), wk = 0.0028409 k( 21) = ( 0.1886792 -0.0000000 0.1886793), wk = 0.0028409 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028409 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028409 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028409 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028409 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028409 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028409 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028409 k( 29) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028409 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028409 k( 31) = ( 0.2830189 0.0000000 0.2830189), wk = 0.0028409 k( 32) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028409 k( 33) = ( 0.3018868 0.0000000 0.3018868), wk = 0.0028409 k( 34) = ( 0.3113207 0.0000000 0.3113207), wk = 0.0028409 k( 35) = ( 0.3207547 0.0000000 0.3207547), wk = 0.0028409 k( 36) = ( 0.3301887 0.0000000 0.3301887), wk = 0.0028409 k( 37) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028409 k( 38) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028409 k( 39) = ( 0.3584906 0.0000000 0.3584906), wk = 0.0028409 k( 40) = ( 0.3679245 0.0000000 0.3679245), wk = 0.0028409 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028409 k( 42) = ( 0.3867925 -0.0000000 0.3867924), wk = 0.0028409 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028409 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028409 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028409 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028409 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028409 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028409 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028409 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028409 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028409 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028409 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028409 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028409 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028409 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028409 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028409 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028409 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028409 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028409 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028409 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028409 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028409 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028409 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028409 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028409 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028409 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028409 k( 71) = ( 0.5000000 0.1481481 0.6481481), wk = 0.0028409 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028409 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028409 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028409 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028409 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028409 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028409 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028409 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028409 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028409 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028409 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028409 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028409 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028409 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028409 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028409 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028409 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028409 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028409 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028409 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028409 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028409 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028409 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028409 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028409 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028409 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028409 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028409 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028409 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028409 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028409 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028409 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028409 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028409 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028409 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028409 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028409 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028409 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028409 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028409 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028409 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028409 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028409 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028409 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028409 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028409 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028409 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028409 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028409 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028409 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028409 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028409 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028409 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028409 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028409 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028409 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028409 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028409 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028409 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028409 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028409 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028409 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028409 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028409 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028409 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028409 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028409 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028409 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028409 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028409 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028409 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028409 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028409 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028409 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028409 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028409 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028409 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028409 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028409 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028409 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028409 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028409 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028409 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028409 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028409 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028409 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028409 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028409 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028409 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028409 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028409 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028409 k( 170) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0028409 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028409 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028409 k( 173) = ( 0.1413043 0.1413044 0.1413043), wk = 0.0028409 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028409 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028409 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028409 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028409 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028409 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028409 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028409 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028409 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028409 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028409 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028409 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028409 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028409 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028409 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028409 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028409 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028409 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028409 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028409 k( 193) = ( 0.3586956 0.3586957 0.3586956), wk = 0.0028409 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028409 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028409 k( 196) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0028409 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028409 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028409 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028409 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028409 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028409 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028409 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028409 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028409 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028409 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 208) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028409 k( 209) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028409 k( 210) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028409 k( 211) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028409 k( 212) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028409 k( 213) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028409 k( 214) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028409 k( 215) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028409 k( 216) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028409 k( 217) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028409 k( 218) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028409 k( 219) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028409 k( 220) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028409 k( 221) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028409 k( 222) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028409 k( 223) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028409 k( 224) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028409 k( 225) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028409 k( 226) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028409 k( 227) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028409 k( 228) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028409 k( 229) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028409 k( 230) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028409 k( 231) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028409 k( 232) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028409 k( 233) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028409 k( 234) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028409 k( 235) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028409 k( 236) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028409 k( 237) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028409 k( 238) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028409 k( 239) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028409 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 242) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028409 k( 243) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028409 k( 244) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028409 k( 245) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028409 k( 246) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028409 k( 247) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028409 k( 248) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028409 k( 249) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028409 k( 250) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028409 k( 251) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028409 k( 252) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028409 k( 253) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028409 k( 254) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028409 k( 255) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028409 k( 256) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028409 k( 257) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028409 k( 258) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028409 k( 259) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028409 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 261) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028409 k( 262) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028409 k( 263) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028409 k( 264) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028409 k( 265) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028409 k( 266) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028409 k( 267) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028409 k( 268) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028409 k( 269) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028409 k( 270) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028409 k( 271) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028409 k( 272) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028409 k( 273) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028409 k( 274) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028409 k( 275) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028409 k( 276) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028409 k( 277) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028409 k( 278) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028409 k( 279) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028409 k( 280) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028409 k( 281) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028409 k( 282) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028409 k( 283) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028409 k( 284) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028409 k( 285) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028409 k( 286) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028409 k( 287) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028409 k( 288) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028409 k( 289) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028409 k( 290) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028409 k( 291) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028409 k( 292) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028409 k( 293) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028409 k( 294) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028409 k( 295) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028409 k( 296) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028409 k( 297) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028409 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 300) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028409 k( 301) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028409 k( 302) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028409 k( 303) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028409 k( 304) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028409 k( 305) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028409 k( 306) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028409 k( 307) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028409 k( 308) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028409 k( 309) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028409 k( 310) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028409 k( 311) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028409 k( 312) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028409 k( 313) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028409 k( 314) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028409 k( 315) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028409 k( 316) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028409 k( 317) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028409 k( 318) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028409 k( 319) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028409 k( 320) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028409 k( 321) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028409 k( 322) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028409 k( 323) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028409 k( 324) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028409 k( 325) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028409 k( 326) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028409 k( 327) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028409 k( 328) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028409 k( 329) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028409 k( 330) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028409 k( 331) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028409 k( 332) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028409 k( 333) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028409 k( 334) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028409 k( 335) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028409 k( 336) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028409 k( 337) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028409 k( 338) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028409 k( 339) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028409 k( 340) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028409 k( 341) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028409 k( 342) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028409 k( 343) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028409 k( 344) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028409 k( 345) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028409 k( 346) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028409 k( 347) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028409 k( 348) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028409 k( 349) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028409 k( 350) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028409 k( 351) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028409 k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 Dense grid: 116749 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 29603 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 158, 38) NL pseudopotentials 0.13 Mb ( 79, 104) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2433) G-vector shells 0.01 Mb ( 660) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 158, 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 : ./Be5Pt.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 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 46.6 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 50.3 secs Computing kpt #: 6 total cpu time spent up to now is 52.2 secs Computing kpt #: 7 total cpu time spent up to now is 54.1 secs Computing kpt #: 8 total cpu time spent up to now is 56.3 secs Computing kpt #: 9 total cpu time spent up to now is 58.3 secs Computing kpt #: 10 total cpu time spent up to now is 60.3 secs Computing kpt #: 11 total cpu time spent up to now is 62.4 secs Computing kpt #: 12 total cpu time spent up to now is 64.5 secs Computing kpt #: 13 total cpu time spent up to now is 66.7 secs Computing kpt #: 14 total cpu time spent up to now is 69.0 secs Computing kpt #: 15 total cpu time spent up to now is 71.1 secs Computing kpt #: 16 total cpu time spent up to now is 73.3 secs Computing kpt #: 17 total cpu time spent up to now is 75.5 secs Computing kpt #: 18 total cpu time spent up to now is 77.9 secs Computing kpt #: 19 total cpu time spent up to now is 80.1 secs Computing kpt #: 20 total cpu time spent up to now is 82.4 secs Computing kpt #: 21 total cpu time spent up to now is 85.1 secs Computing kpt #: 22 total cpu time spent up to now is 87.7 secs Computing kpt #: 23 total cpu time spent up to now is 90.5 secs Computing kpt #: 24 total cpu time spent up to now is 93.1 secs Computing kpt #: 25 total cpu time spent up to now is 95.8 secs Computing kpt #: 26 total cpu time spent up to now is 98.5 secs Computing kpt #: 27 total cpu time spent up to now is 101.0 secs Computing kpt #: 28 total cpu time spent up to now is 103.6 secs Computing kpt #: 29 total cpu time spent up to now is 106.3 secs Computing kpt #: 30 total cpu time spent up to now is 108.9 secs Computing kpt #: 31 total cpu time spent up to now is 111.9 secs Computing kpt #: 32 total cpu time spent up to now is 114.5 secs Computing kpt #: 33 total cpu time spent up to now is 116.7 secs Computing kpt #: 34 total cpu time spent up to now is 119.0 secs Computing kpt #: 35 total cpu time spent up to now is 121.0 secs Computing kpt #: 36 total cpu time spent up to now is 122.7 secs Computing kpt #: 37 total cpu time spent up to now is 124.3 secs Computing kpt #: 38 total cpu time spent up to now is 126.0 secs Computing kpt #: 39 total cpu time spent up to now is 127.7 secs Computing kpt #: 40 total cpu time spent up to now is 129.4 secs Computing kpt #: 41 total cpu time spent up to now is 131.0 secs Computing kpt #: 42 total cpu time spent up to now is 132.7 secs Computing kpt #: 43 total cpu time spent up to now is 134.7 secs Computing kpt #: 44 total cpu time spent up to now is 136.7 secs Computing kpt #: 45 total cpu time spent up to now is 138.7 secs Computing kpt #: 46 total cpu time spent up to now is 140.7 secs Computing kpt #: 47 total cpu time spent up to now is 142.3 secs Computing kpt #: 48 total cpu time spent up to now is 144.1 secs Computing kpt #: 49 total cpu time spent up to now is 145.6 secs Computing kpt #: 50 total cpu time spent up to now is 147.4 secs Computing kpt #: 51 total cpu time spent up to now is 148.9 secs Computing kpt #: 52 total cpu time spent up to now is 150.6 secs Computing kpt #: 53 total cpu time spent up to now is 152.3 secs Computing kpt #: 54 total cpu time spent up to now is 154.0 secs Computing kpt #: 55 total cpu time spent up to now is 155.5 secs Computing kpt #: 56 total cpu time spent up to now is 157.0 secs Computing kpt #: 57 total cpu time spent up to now is 158.5 secs Computing kpt #: 58 total cpu time spent up to now is 160.2 secs Computing kpt #: 59 total cpu time spent up to now is 162.4 secs Computing kpt #: 60 total cpu time spent up to now is 164.0 secs Computing kpt #: 61 total cpu time spent up to now is 165.6 secs Computing kpt #: 62 total cpu time spent up to now is 167.3 secs Computing kpt #: 63 total cpu time spent up to now is 168.8 secs Computing kpt #: 64 total cpu time spent up to now is 170.3 secs Computing kpt #: 65 total cpu time spent up to now is 171.9 secs Computing kpt #: 66 total cpu time spent up to now is 173.8 secs Computing kpt #: 67 total cpu time spent up to now is 175.3 secs Computing kpt #: 68 total cpu time spent up to now is 176.9 secs Computing kpt #: 69 total cpu time spent up to now is 178.4 secs Computing kpt #: 70 total cpu time spent up to now is 179.9 secs Computing kpt #: 71 total cpu time spent up to now is 181.6 secs Computing kpt #: 72 total cpu time spent up to now is 183.3 secs Computing kpt #: 73 total cpu time spent up to now is 185.2 secs Computing kpt #: 74 total cpu time spent up to now is 186.9 secs Computing kpt #: 75 total cpu time spent up to now is 188.4 secs Computing kpt #: 76 total cpu time spent up to now is 190.1 secs Computing kpt #: 77 total cpu time spent up to now is 191.5 secs Computing kpt #: 78 total cpu time spent up to now is 193.0 secs Computing kpt #: 79 total cpu time spent up to now is 194.6 secs Computing kpt #: 80 total cpu time spent up to now is 196.1 secs Computing kpt #: 81 total cpu time spent up to now is 197.8 secs Computing kpt #: 82 total cpu time spent up to now is 199.3 secs Computing kpt #: 83 total cpu time spent up to now is 200.8 secs Computing kpt #: 84 total cpu time spent up to now is 202.3 secs Computing kpt #: 85 total cpu time spent up to now is 204.1 secs Computing kpt #: 86 total cpu time spent up to now is 205.7 secs Computing kpt #: 87 total cpu time spent up to now is 207.3 secs Computing kpt #: 88 total cpu time spent up to now is 209.2 secs Computing kpt #: 89 total cpu time spent up to now is 210.7 secs Computing kpt #: 90 total cpu time spent up to now is 212.2 secs Computing kpt #: 91 total cpu time spent up to now is 213.7 secs Computing kpt #: 92 total cpu time spent up to now is 215.4 secs Computing kpt #: 93 total cpu time spent up to now is 217.0 secs Computing kpt #: 94 total cpu time spent up to now is 218.8 secs Computing kpt #: 95 total cpu time spent up to now is 220.5 secs Computing kpt #: 96 total cpu time spent up to now is 222.8 secs Computing kpt #: 97 total cpu time spent up to now is 224.9 secs Computing kpt #: 98 total cpu time spent up to now is 227.3 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.0 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.1 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.0 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.1 secs Computing kpt #: 113 total cpu time spent up to now is 271.2 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.3 secs Computing kpt #: 115 total cpu time spent up to now is 277.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.3 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.3 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.2 secs Computing kpt #: 120 total cpu time spent up to now is 292.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.7 secs Computing kpt #: 122 total cpu time spent up to now is 298.3 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.3 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.2 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.1 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.9 secs Computing kpt #: 127 total cpu time spent up to now is 312.7 secs Computing kpt #: 128 total cpu time spent up to now is 315.6 secs Computing kpt #: 129 total cpu time spent up to now is 318.5 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.0 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.9 secs Computing kpt #: 132 total cpu time spent up to now is 327.5 secs Computing kpt #: 133 total cpu time spent up to now is 330.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.2 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.3 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.4 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.3 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.3 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.2 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.4 secs Computing kpt #: 145 total cpu time spent up to now is 366.2 secs Computing kpt #: 146 total cpu time spent up to now is 368.4 secs Computing kpt #: 147 total cpu time spent up to now is 370.9 secs Computing kpt #: 148 total cpu time spent up to now is 373.2 secs Computing kpt #: 149 total cpu time spent up to now is 375.3 secs Computing kpt #: 150 total cpu time spent up to now is 377.2 secs Computing kpt #: 151 total cpu time spent up to now is 379.2 secs Computing kpt #: 152 total cpu time spent up to now is 381.5 secs Computing kpt #: 153 total cpu time spent up to now is 383.3 secs Computing kpt #: 154 total cpu time spent up to now is 385.2 secs Computing kpt #: 155 total cpu time spent up to now is 387.1 secs Computing kpt #: 156 total cpu time spent up to now is 388.9 secs Computing kpt #: 157 total cpu time spent up to now is 391.1 secs Computing kpt #: 158 total cpu time spent up to now is 392.9 secs Computing kpt #: 159 total cpu time spent up to now is 394.7 secs Computing kpt #: 160 total cpu time spent up to now is 396.5 secs Computing kpt #: 161 total cpu time spent up to now is 398.1 secs Computing kpt #: 162 total cpu time spent up to now is 399.9 secs Computing kpt #: 163 total cpu time spent up to now is 402.1 secs Computing kpt #: 164 total cpu time spent up to now is 404.4 secs Computing kpt #: 165 total cpu time spent up to now is 406.2 secs Computing kpt #: 166 total cpu time spent up to now is 408.1 secs Computing kpt #: 167 total cpu time spent up to now is 410.0 secs Computing kpt #: 168 total cpu time spent up to now is 411.9 secs Computing kpt #: 169 total cpu time spent up to now is 413.7 secs Computing kpt #: 170 total cpu time spent up to now is 415.7 secs Computing kpt #: 171 total cpu time spent up to now is 417.9 secs Computing kpt #: 172 total cpu time spent up to now is 419.7 secs Computing kpt #: 173 total cpu time spent up to now is 421.7 secs Computing kpt #: 174 total cpu time spent up to now is 423.7 secs Computing kpt #: 175 total cpu time spent up to now is 426.0 secs Computing kpt #: 176 total cpu time spent up to now is 428.2 secs Computing kpt #: 177 total cpu time spent up to now is 430.4 secs Computing kpt #: 178 total cpu time spent up to now is 432.9 secs Computing kpt #: 179 total cpu time spent up to now is 435.2 secs Computing kpt #: 180 total cpu time spent up to now is 437.5 secs Computing kpt #: 181 total cpu time spent up to now is 440.1 secs Computing kpt #: 182 total cpu time spent up to now is 442.4 secs Computing kpt #: 183 total cpu time spent up to now is 444.9 secs Computing kpt #: 184 total cpu time spent up to now is 447.1 secs Computing kpt #: 185 total cpu time spent up to now is 449.5 secs Computing kpt #: 186 total cpu time spent up to now is 451.7 secs Computing kpt #: 187 total cpu time spent up to now is 453.6 secs Computing kpt #: 188 total cpu time spent up to now is 455.5 secs Computing kpt #: 189 total cpu time spent up to now is 457.3 secs Computing kpt #: 190 total cpu time spent up to now is 459.3 secs Computing kpt #: 191 total cpu time spent up to now is 461.3 secs Computing kpt #: 192 total cpu time spent up to now is 463.3 secs Computing kpt #: 193 total cpu time spent up to now is 465.0 secs Computing kpt #: 194 total cpu time spent up to now is 466.5 secs Computing kpt #: 195 total cpu time spent up to now is 468.0 secs Computing kpt #: 196 total cpu time spent up to now is 469.5 secs Computing kpt #: 197 total cpu time spent up to now is 471.0 secs Computing kpt #: 198 total cpu time spent up to now is 472.5 secs Computing kpt #: 199 total cpu time spent up to now is 473.9 secs Computing kpt #: 200 total cpu time spent up to now is 475.4 secs Computing kpt #: 201 total cpu time spent up to now is 476.8 secs Computing kpt #: 202 total cpu time spent up to now is 478.3 secs Computing kpt #: 203 total cpu time spent up to now is 479.8 secs Computing kpt #: 204 total cpu time spent up to now is 481.2 secs Computing kpt #: 205 total cpu time spent up to now is 482.7 secs Computing kpt #: 206 total cpu time spent up to now is 484.1 secs Computing kpt #: 207 total cpu time spent up to now is 485.6 secs Computing kpt #: 208 total cpu time spent up to now is 487.0 secs Computing kpt #: 209 total cpu time spent up to now is 488.5 secs Computing kpt #: 210 total cpu time spent up to now is 490.0 secs Computing kpt #: 211 total cpu time spent up to now is 491.5 secs Computing kpt #: 212 total cpu time spent up to now is 492.9 secs Computing kpt #: 213 total cpu time spent up to now is 494.4 secs Computing kpt #: 214 total cpu time spent up to now is 495.9 secs Computing kpt #: 215 total cpu time spent up to now is 497.4 secs Computing kpt #: 216 total cpu time spent up to now is 498.9 secs Computing kpt #: 217 total cpu time spent up to now is 500.3 secs Computing kpt #: 218 total cpu time spent up to now is 501.8 secs Computing kpt #: 219 total cpu time spent up to now is 503.2 secs Computing kpt #: 220 total cpu time spent up to now is 504.7 secs Computing kpt #: 221 total cpu time spent up to now is 506.2 secs Computing kpt #: 222 total cpu time spent up to now is 507.9 secs Computing kpt #: 223 total cpu time spent up to now is 509.7 secs Computing kpt #: 224 total cpu time spent up to now is 511.3 secs Computing kpt #: 225 total cpu time spent up to now is 512.9 secs Computing kpt #: 226 total cpu time spent up to now is 514.6 secs Computing kpt #: 227 total cpu time spent up to now is 516.3 secs Computing kpt #: 228 total cpu time spent up to now is 518.3 secs Computing kpt #: 229 total cpu time spent up to now is 520.3 secs Computing kpt #: 230 total cpu time spent up to now is 522.5 secs Computing kpt #: 231 total cpu time spent up to now is 525.0 secs Computing kpt #: 232 total cpu time spent up to now is 527.7 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 530.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 533.4 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.2 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.1 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.1 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 548.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.9 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.7 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.6 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.4 secs Computing kpt #: 244 total cpu time spent up to now is 561.9 secs Computing kpt #: 245 total cpu time spent up to now is 564.4 secs Computing kpt #: 246 total cpu time spent up to now is 566.4 secs Computing kpt #: 247 total cpu time spent up to now is 568.0 secs Computing kpt #: 248 total cpu time spent up to now is 569.9 secs Computing kpt #: 249 total cpu time spent up to now is 571.8 secs Computing kpt #: 250 total cpu time spent up to now is 573.4 secs Computing kpt #: 251 total cpu time spent up to now is 575.6 secs Computing kpt #: 252 total cpu time spent up to now is 578.2 secs Computing kpt #: 253 total cpu time spent up to now is 580.7 secs Computing kpt #: 254 total cpu time spent up to now is 582.4 secs Computing kpt #: 255 total cpu time spent up to now is 583.9 secs Computing kpt #: 256 total cpu time spent up to now is 585.5 secs Computing kpt #: 257 total cpu time spent up to now is 587.0 secs Computing kpt #: 258 total cpu time spent up to now is 588.5 secs Computing kpt #: 259 total cpu time spent up to now is 590.0 secs Computing kpt #: 260 total cpu time spent up to now is 591.4 secs Computing kpt #: 261 total cpu time spent up to now is 592.9 secs Computing kpt #: 262 total cpu time spent up to now is 594.4 secs Computing kpt #: 263 total cpu time spent up to now is 595.9 secs Computing kpt #: 264 total cpu time spent up to now is 597.4 secs Computing kpt #: 265 total cpu time spent up to now is 598.9 secs Computing kpt #: 266 total cpu time spent up to now is 600.5 secs Computing kpt #: 267 total cpu time spent up to now is 602.0 secs Computing kpt #: 268 total cpu time spent up to now is 603.5 secs Computing kpt #: 269 total cpu time spent up to now is 605.3 secs Computing kpt #: 270 total cpu time spent up to now is 607.3 secs Computing kpt #: 271 total cpu time spent up to now is 609.2 secs Computing kpt #: 272 total cpu time spent up to now is 611.4 secs Computing kpt #: 273 total cpu time spent up to now is 613.7 secs Computing kpt #: 274 total cpu time spent up to now is 615.9 secs Computing kpt #: 275 total cpu time spent up to now is 618.1 secs Computing kpt #: 276 total cpu time spent up to now is 620.3 secs Computing kpt #: 277 total cpu time spent up to now is 622.2 secs Computing kpt #: 278 total cpu time spent up to now is 623.9 secs Computing kpt #: 279 total cpu time spent up to now is 625.8 secs Computing kpt #: 280 total cpu time spent up to now is 627.6 secs Computing kpt #: 281 total cpu time spent up to now is 629.4 secs Computing kpt #: 282 total cpu time spent up to now is 631.2 secs Computing kpt #: 283 total cpu time spent up to now is 632.8 secs Computing kpt #: 284 total cpu time spent up to now is 634.3 secs Computing kpt #: 285 total cpu time spent up to now is 635.9 secs Computing kpt #: 286 total cpu time spent up to now is 637.4 secs Computing kpt #: 287 total cpu time spent up to now is 638.8 secs Computing kpt #: 288 total cpu time spent up to now is 640.3 secs Computing kpt #: 289 total cpu time spent up to now is 641.7 secs Computing kpt #: 290 total cpu time spent up to now is 643.2 secs Computing kpt #: 291 total cpu time spent up to now is 644.6 secs Computing kpt #: 292 total cpu time spent up to now is 646.0 secs Computing kpt #: 293 total cpu time spent up to now is 647.5 secs Computing kpt #: 294 total cpu time spent up to now is 649.0 secs Computing kpt #: 295 total cpu time spent up to now is 650.4 secs Computing kpt #: 296 total cpu time spent up to now is 651.9 secs Computing kpt #: 297 total cpu time spent up to now is 653.4 secs Computing kpt #: 298 total cpu time spent up to now is 654.9 secs Computing kpt #: 299 total cpu time spent up to now is 656.3 secs Computing kpt #: 300 total cpu time spent up to now is 657.8 secs Computing kpt #: 301 total cpu time spent up to now is 659.2 secs Computing kpt #: 302 total cpu time spent up to now is 660.7 secs Computing kpt #: 303 total cpu time spent up to now is 662.1 secs Computing kpt #: 304 total cpu time spent up to now is 663.6 secs Computing kpt #: 305 total cpu time spent up to now is 665.0 secs Computing kpt #: 306 total cpu time spent up to now is 666.6 secs Computing kpt #: 307 total cpu time spent up to now is 668.0 secs Computing kpt #: 308 total cpu time spent up to now is 669.5 secs Computing kpt #: 309 total cpu time spent up to now is 671.0 secs Computing kpt #: 310 total cpu time spent up to now is 672.4 secs Computing kpt #: 311 total cpu time spent up to now is 673.8 secs Computing kpt #: 312 total cpu time spent up to now is 675.3 secs Computing kpt #: 313 total cpu time spent up to now is 676.8 secs Computing kpt #: 314 total cpu time spent up to now is 678.3 secs Computing kpt #: 315 total cpu time spent up to now is 680.0 secs Computing kpt #: 316 total cpu time spent up to now is 681.6 secs Computing kpt #: 317 total cpu time spent up to now is 683.4 secs Computing kpt #: 318 total cpu time spent up to now is 685.1 secs Computing kpt #: 319 total cpu time spent up to now is 686.8 secs Computing kpt #: 320 total cpu time spent up to now is 688.5 secs Computing kpt #: 321 total cpu time spent up to now is 690.6 secs Computing kpt #: 322 total cpu time spent up to now is 692.9 secs Computing kpt #: 323 total cpu time spent up to now is 695.2 secs Computing kpt #: 324 total cpu time spent up to now is 697.7 secs Computing kpt #: 325 total cpu time spent up to now is 700.1 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.0 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 705.9 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.8 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 711.7 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.5 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.5 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.4 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.4 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 726.3 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 729.1 secs Computing kpt #: 336 total cpu time spent up to now is 731.2 secs Computing kpt #: 337 total cpu time spent up to now is 733.8 secs Computing kpt #: 338 total cpu time spent up to now is 735.8 secs Computing kpt #: 339 total cpu time spent up to now is 737.5 secs Computing kpt #: 340 total cpu time spent up to now is 739.4 secs Computing kpt #: 341 total cpu time spent up to now is 741.4 secs Computing kpt #: 342 total cpu time spent up to now is 743.4 secs Computing kpt #: 343 total cpu time spent up to now is 745.0 secs Computing kpt #: 344 total cpu time spent up to now is 746.6 secs Computing kpt #: 345 total cpu time spent up to now is 748.6 secs Computing kpt #: 346 total cpu time spent up to now is 750.2 secs Computing kpt #: 347 total cpu time spent up to now is 751.7 secs Computing kpt #: 348 total cpu time spent up to now is 753.2 secs Computing kpt #: 349 total cpu time spent up to now is 754.9 secs Computing kpt #: 350 total cpu time spent up to now is 756.7 secs Computing kpt #: 351 total cpu time spent up to now is 758.2 secs Computing kpt #: 352 total cpu time spent up to now is 759.7 secs ethr = 3.33E-11, avg # of iterations = 61.2 total cpu time spent up to now is 759.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1924 0.1924 5.1073 5.1073 5.1073 5.1073 5.7298 5.7298 6.3809 6.3809 6.3809 6.3809 7.4834 7.4834 10.8619 10.8619 11.2296 11.2296 11.2296 11.2296 13.9037 13.9037 14.3923 14.3923 14.6627 14.6627 14.6627 14.6627 k = 0.0094-0.0054 0.0077 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1937 0.1937 5.1025 5.1025 5.1119 5.1119 5.7295 5.7295 6.3735 6.3735 6.3882 6.3882 7.4837 7.4837 10.8574 10.8574 11.2242 11.2242 11.2288 11.2288 13.9088 13.9088 14.3916 14.3916 14.6451 14.6451 14.6778 14.6778 k = 0.0189-0.0109 0.0154 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1976 0.1976 5.0975 5.0975 5.1165 5.1165 5.7286 5.7286 6.3660 6.3660 6.3951 6.3951 7.4848 7.4848 10.8441 10.8441 11.2134 11.2134 11.2213 11.2213 13.9240 13.9240 14.3865 14.3865 14.6217 14.6217 14.6970 14.6970 k = 0.0283-0.0163 0.0231 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2041 0.2041 5.0920 5.0920 5.1212 5.1212 5.7273 5.7273 6.3587 6.3587 6.4013 6.4013 7.4869 7.4869 10.8220 10.8220 11.1977 11.1977 11.2070 11.2070 13.9490 13.9490 14.3670 14.3670 14.6004 14.6004 14.7238 14.7238 k = 0.0377-0.0218 0.0308 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2133 0.2133 5.0858 5.0858 5.1262 5.1262 5.7257 5.7257 6.3513 6.3513 6.4068 6.4068 7.4901 7.4901 10.7911 10.7911 11.1769 11.1769 11.1865 11.1865 13.9835 13.9835 14.3197 14.3197 14.5956 14.5956 14.7590 14.7590 k = 0.0472-0.0272 0.0385 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3575 -88.3575 -88.3573 -88.3573 -88.3573 -88.3573 0.2250 0.2250 5.0788 5.0788 5.1315 5.1315 5.7239 5.7239 6.3438 6.3438 6.4112 6.4112 7.4949 7.4949 10.7517 10.7517 11.1494 11.1494 11.1621 11.1621 14.0263 14.0263 14.2425 14.2425 14.6127 14.6127 14.8023 14.8023 k = 0.0566-0.0327 0.0462 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2393 0.2393 5.0709 5.0709 5.1372 5.1372 5.7223 5.7223 6.3359 6.3359 6.4147 6.4147 7.5016 7.5016 10.7042 10.7042 11.1137 11.1137 11.1358 11.1358 14.0691 14.0691 14.1504 14.1504 14.6473 14.6473 14.8530 14.8530 k = 0.0660-0.0381 0.0539 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3867 -88.3867 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2562 0.2562 5.0620 5.0620 5.1434 5.1434 5.7211 5.7211 6.3269 6.3269 6.4174 6.4174 7.5106 7.5106 10.6492 10.6492 11.0705 11.0705 11.1072 11.1072 14.0082 14.0082 14.1545 14.1545 14.6946 14.6946 14.9103 14.9103 k = 0.0755-0.0436 0.0616 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3866 -88.3866 -88.3577 -88.3577 -88.3573 -88.3573 -88.3573 -88.3573 0.2757 0.2757 5.0519 5.0519 5.1500 5.1500 5.7205 5.7205 6.3162 6.3162 6.4197 6.4197 7.5222 7.5222 10.5873 10.5873 11.0207 11.0207 11.0758 11.0758 13.8830 13.8830 14.2205 14.2205 14.7515 14.7515 14.9733 14.9733 k = 0.0849-0.0490 0.0693 ( 3711 PWs) bands (ev): -89.8662 -89.8662 -88.3865 -88.3865 -88.3578 -88.3578 -88.3573 -88.3573 -88.3573 -88.3573 0.2978 0.2978 5.0405 5.0405 5.1570 5.1570 5.7209 5.7209 6.3032 6.3032 6.4221 6.4221 7.5369 7.5369 10.5193 10.5193 10.9648 10.9648 11.0411 11.0411 13.7481 13.7481 14.2973 14.2973 14.8162 14.8162 15.0413 15.0413 k = 0.0943-0.0545 0.0770 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3863 -88.3863 -88.3580 -88.3580 -88.3573 -88.3573 -88.3573 -88.3573 0.3225 0.3225 5.0279 5.0279 5.1644 5.1644 5.7223 5.7223 6.2873 6.2873 6.4251 6.4251 7.5547 7.5547 10.4459 10.4459 10.9036 10.9036 11.0023 11.0023 13.6093 13.6093 14.3818 14.3818 14.8875 14.8875 15.1135 15.1135 k = 0.1038-0.0599 0.0847 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3862 -88.3862 -88.3581 -88.3581 -88.3573 -88.3573 -88.3573 -88.3573 0.3497 0.3497 5.0140 5.0140 5.1721 5.1721 5.7250 5.7250 6.2681 6.2681 6.4291 6.4291 7.5757 7.5757 10.3678 10.3678 10.8377 10.8377 10.9588 10.9588 13.4697 13.4697 14.4729 14.4729 14.9642 14.9642 15.1891 15.1891 k = 0.1132-0.0654 0.0924 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3861 -88.3861 -88.3582 -88.3582 -88.3573 -88.3573 -88.3573 -88.3573 0.3795 0.3795 4.9989 4.9989 5.1800 5.1800 5.7292 5.7292 6.2455 6.2455 6.4344 6.4344 7.6001 7.6001 10.2857 10.2857 10.7675 10.7675 10.9100 10.9100 13.3316 13.3316 14.5701 14.5701 15.0456 15.0456 15.2676 15.2676 k = 0.1226-0.0708 0.1001 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3859 -88.3859 -88.3584 -88.3584 -88.3573 -88.3573 -88.3573 -88.3573 0.4118 0.4118 4.9826 4.9826 5.1880 5.1880 5.7350 5.7350 6.2197 6.2197 6.4411 6.4411 7.6277 7.6277 10.1999 10.1999 10.6935 10.6935 10.8550 10.8550 13.1973 13.1973 14.6727 14.6727 15.1308 15.1308 15.3484 15.3484 k = 0.1321-0.0763 0.1078 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3857 -88.3857 -88.3586 -88.3586 -88.3573 -88.3573 -88.3573 -88.3573 0.4466 0.4466 4.9651 4.9651 5.1958 5.1958 5.7425 5.7425 6.1911 6.1911 6.4492 6.4492 7.6582 7.6582 10.1110 10.1110 10.6164 10.6164 10.7934 10.7934 13.0682 13.0682 14.7801 14.7801 15.2192 15.2192 15.4308 15.4308 k = 0.1415-0.0817 0.1155 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3856 -88.3856 -88.3588 -88.3588 -88.3573 -88.3573 -88.3573 -88.3573 0.4840 0.4840 4.9466 4.9466 5.2034 5.2034 5.7517 5.7517 6.1602 6.1602 6.4587 6.4587 7.6916 7.6916 10.0193 10.0193 10.5364 10.5364 10.7244 10.7244 12.9460 12.9460 14.8916 14.8916 15.3100 15.3100 15.5144 15.5144 k = 0.1509-0.0871 0.1232 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3854 -88.3854 -88.3589 -88.3589 -88.3573 -88.3573 -88.3573 -88.3573 0.5238 0.5238 4.9273 4.9273 5.2103 5.2103 5.7627 5.7627 6.1278 6.1278 6.4695 6.4695 7.7276 7.7276 9.9252 9.9252 10.4539 10.4539 10.6480 10.6480 12.8317 12.8317 15.0068 15.0068 15.4026 15.4026 15.5988 15.5988 k = 0.1604-0.0926 0.1309 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3851 -88.3851 -88.3592 -88.3592 -88.3573 -88.3573 -88.3573 -88.3573 0.5662 0.5662 4.9071 4.9071 5.2163 5.2163 5.7754 5.7754 6.0945 6.0945 6.4816 6.4816 7.7657 7.7657 9.8288 9.8288 10.3693 10.3693 10.5639 10.5639 12.7260 12.7260 15.1249 15.1249 15.4967 15.4967 15.6835 15.6835 k = 0.1698-0.0980 0.1387 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3849 -88.3849 -88.3594 -88.3594 -88.3573 -88.3573 -88.3573 -88.3573 0.6110 0.6110 4.8863 4.8863 5.2209 5.2209 5.7898 5.7898 6.0613 6.0613 6.4947 6.4947 7.8058 7.8058 9.7304 9.7304 10.2827 10.2827 10.4725 10.4725 12.6295 12.6295 15.2454 15.2454 15.5918 15.5918 15.7682 15.7682 k = 0.1792-0.1035 0.1464 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3847 -88.3847 -88.3596 -88.3596 -88.3573 -88.3573 -88.3573 -88.3573 0.6583 0.6583 4.8650 4.8650 5.2237 5.2237 5.8058 5.8058 6.0290 6.0290 6.5089 6.5089 7.8474 7.8474 9.6299 9.6299 10.1944 10.1944 10.3746 10.3746 12.5421 12.5421 15.3676 15.3676 15.6875 15.6875 15.8524 15.8524 k = 0.1887-0.1089 0.1541 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3845 -88.3845 -88.3598 -88.3598 -88.3573 -88.3573 -88.3573 -88.3573 0.7079 0.7079 4.8432 4.8432 5.2240 5.2240 5.8234 5.8234 5.9987 5.9987 6.5240 6.5240 7.8901 7.8901 9.5275 9.5275 10.1044 10.1044 10.2713 10.2713 12.4635 12.4635 15.4908 15.4908 15.7837 15.7837 15.9360 15.9360 k = 0.1981-0.1144 0.1618 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3842 -88.3842 -88.3601 -88.3601 -88.3573 -88.3573 -88.3573 -88.3573 0.7600 0.7600 4.8213 4.8213 5.2213 5.2213 5.8423 5.8423 5.9715 5.9715 6.5400 6.5400 7.9334 7.9334 9.4232 9.4232 10.0126 10.0126 10.1641 10.1641 12.3933 12.3933 15.6141 15.6141 15.8804 15.8804 16.0186 16.0186 k = 0.2075-0.1198 0.1695 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3840 -88.3840 -88.3603 -88.3603 -88.3573 -88.3573 -88.3573 -88.3573 0.8144 0.8144 4.7991 4.7991 5.2150 5.2150 5.8620 5.8620 5.9488 5.9488 6.5567 6.5567 7.9769 7.9769 9.3168 9.3168 9.9188 9.9188 10.0549 10.0549 12.3306 12.3306 15.7364 15.7364 15.9781 15.9781 16.1000 16.1000 k = 0.2170-0.1253 0.1772 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3837 -88.3837 -88.3606 -88.3606 -88.3573 -88.3573 -88.3573 -88.3573 0.8712 0.8712 4.7769 4.7769 5.2045 5.2045 5.8808 5.8809 5.9330 5.9330 6.5742 6.5742 8.0198 8.0198 9.2085 9.2085 9.8226 9.8226 9.9459 9.9459 12.2748 12.2748 15.8562 15.8562 16.0773 16.0773 16.1799 16.1799 k = 0.2264-0.1307 0.1849 ( 3675 PWs) bands (ev): -89.8662 -89.8662 -88.3834 -88.3834 -88.3609 -88.3609 -88.3573 -88.3573 -88.3573 -88.3573 0.9302 0.9302 4.7548 4.7548 5.1895 5.1895 5.8926 5.8926 5.9310 5.9310 6.5924 6.5924 8.0613 8.0613 9.0985 9.0985 9.7237 9.7238 9.8392 9.8392 12.2248 12.2248 15.9718 15.9718 16.1791 16.1791 16.2582 16.2582 k = 0.2358-0.1362 0.1926 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3831 -88.3831 -88.3612 -88.3612 -88.3573 -88.3573 -88.3573 -88.3573 0.9916 0.9916 4.7328 4.7328 5.1698 5.1698 5.8932 5.8932 5.9471 5.9471 6.6111 6.6111 8.1000 8.1000 8.9870 8.9870 9.6226 9.6226 9.7365 9.7365 12.1799 12.1799 16.0812 16.0812 16.2839 16.2839 16.3349 16.3349 k = 0.2453-0.1416 0.2003 ( 3655 PWs) bands (ev): -89.8662 -89.8662 -88.3828 -88.3828 -88.3615 -88.3615 -88.3573 -88.3573 -88.3573 -88.3573 1.0551 1.0551 4.7110 4.7110 5.1455 5.1455 5.8930 5.8930 5.9711 5.9711 6.6303 6.6303 8.1341 8.1341 8.8751 8.8751 9.5206 9.5206 9.6383 9.6383 12.1394 12.1394 16.1829 16.1829 16.3888 16.3888 16.4107 16.4107 k = 0.2547-0.1471 0.2080 ( 3655 PWs) bands (ev): -89.8662 -89.8662 -88.3825 -88.3825 -88.3618 -88.3618 -88.3573 -88.3573 -88.3573 -88.3573 1.1208 1.1208 4.6894 4.6894 5.1170 5.1170 5.8965 5.8965 5.9982 5.9982 6.6500 6.6500 8.1603 8.1603 8.7648 8.7648 9.4201 9.4201 9.5443 9.5443 12.1023 12.1023 16.2769 16.2769 16.4753 16.4753 16.4905 16.4905 k = 0.2642-0.1525 0.2157 ( 3655 PWs) bands (ev): -89.8662 -89.8662 -88.3822 -88.3822 -88.3621 -88.3621 -88.3573 -88.3573 -88.3573 -88.3573 1.1886 1.1886 4.6682 4.6682 5.0847 5.0847 5.9047 5.9047 6.0271 6.0271 6.6702 6.6702 8.1733 8.1733 8.6603 8.6603 9.3234 9.3234 9.4543 9.4543 12.0682 12.0682 16.3635 16.3635 16.5292 16.5292 16.5530 16.5530 k = 0.2736-0.1580 0.2234 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3818 -88.3818 -88.3624 -88.3624 -88.3573 -88.3573 -88.3573 -88.3573 1.2585 1.2585 4.6472 4.6472 5.0494 5.0494 5.9173 5.9173 6.0574 6.0574 6.6907 6.6907 8.1640 8.1640 8.5688 8.5688 9.2328 9.2328 9.3685 9.3685 12.0365 12.0365 16.4426 16.4426 16.5446 16.5446 16.6188 16.6188 k = 0.2830-0.1634 0.2311 ( 3663 PWs) bands (ev): -89.8662 -89.8662 -88.3815 -88.3815 -88.3628 -88.3628 -88.3573 -88.3573 -88.3573 -88.3573 1.3304 1.3304 4.6266 4.6266 5.0117 5.0117 5.9340 5.9340 6.0889 6.0889 6.7115 6.7115 8.1219 8.1219 8.4988 8.4988 9.1495 9.1495 9.2882 9.2882 12.0067 12.0067 16.5074 16.5074 16.5592 16.5592 16.6838 16.6838 k = 0.2925-0.1688 0.2388 ( 3663 PWs) bands (ev): -89.8662 -89.8662 -88.3812 -88.3812 -88.3631 -88.3631 -88.3573 -88.3573 -88.3573 -88.3573 1.4041 1.4041 4.6061 4.6061 4.9722 4.9722 5.9545 5.9545 6.1216 6.1216 6.7326 6.7326 8.0447 8.0447 8.4505 8.4505 9.0736 9.0736 9.2166 9.2166 11.9784 11.9784 16.5304 16.5304 16.6083 16.6083 16.7465 16.7465 k = 0.3019-0.1743 0.2465 ( 3671 PWs) bands (ev): -89.8662 -89.8662 -88.3808 -88.3808 -88.3635 -88.3635 -88.3573 -88.3573 -88.3573 -88.3573 1.4797 1.4797 4.5859 4.5859 4.9316 4.9316 5.9782 5.9782 6.1552 6.1552 6.7540 6.7540 7.9419 7.9419 8.4120 8.4120 9.0023 9.0023 9.1589 9.1589 11.9513 11.9513 16.5327 16.5327 16.6733 16.6733 16.8068 16.8068 k = 0.3113-0.1797 0.2542 ( 3671 PWs) bands (ev): -89.8662 -89.8662 -88.3805 -88.3805 -88.3638 -88.3638 -88.3573 -88.3573 -88.3573 -88.3573 1.5570 1.5570 4.5657 4.5657 4.8904 4.8904 6.0047 6.0047 6.1896 6.1896 6.7757 6.7757 7.8248 7.8248 8.3716 8.3716 8.9308 8.9308 9.1211 9.1211 11.9251 11.9251 16.5314 16.5314 16.7380 16.7380 16.8646 16.8646 k = 0.3208-0.1852 0.2619 ( 3667 PWs) bands (ev): -89.8662 -89.8662 -88.3801 -88.3801 -88.3642 -88.3642 -88.3573 -88.3573 -88.3573 -88.3573 1.6360 1.6360 4.5453 4.5453 4.8492 4.8492 6.0339 6.0339 6.2247 6.2247 6.7976 6.7976 7.7006 7.7006 8.3236 8.3236 8.8564 8.8564 9.1048 9.1048 11.8997 11.8997 16.5290 16.5290 16.8003 16.8003 16.9199 16.9199 k = 0.3302-0.1906 0.2696 ( 3679 PWs) bands (ev): -89.8662 -89.8662 -88.3797 -88.3797 -88.3646 -88.3646 -88.3573 -88.3573 -88.3573 -88.3573 1.7164 1.7164 4.5245 4.5245 4.8086 4.8086 6.0652 6.0652 6.2604 6.2604 6.8198 6.8198 7.5734 7.5734 8.2672 8.2672 8.7794 8.7794 9.1068 9.1068 11.8748 11.8748 16.5260 16.5260 16.8601 16.8601 16.9728 16.9728 k = 0.3396-0.1961 0.2773 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3793 -88.3793 -88.3650 -88.3650 -88.3573 -88.3573 -88.3573 -88.3573 1.7982 1.7982 4.5028 4.5028 4.7693 4.7693 6.0984 6.0984 6.2965 6.2965 6.8424 6.8424 7.4457 7.4457 8.2039 8.2039 8.7009 8.7009 9.1226 9.1226 11.8503 11.8503 16.5228 16.5228 16.9172 16.9172 17.0232 17.0232 k = 0.3491-0.2015 0.2850 ( 3679 PWs) bands (ev): -89.8662 -89.8662 -88.3790 -88.3790 -88.3653 -88.3653 -88.3573 -88.3573 -88.3573 -88.3573 1.8811 1.8811 4.4797 4.4797 4.7318 4.7318 6.1333 6.1333 6.3328 6.3328 6.8653 6.8653 7.3192 7.3192 8.1358 8.1358 8.6219 8.6219 9.1478 9.1478 11.8263 11.8263 16.5194 16.5194 16.9716 16.9716 17.0712 17.0712 k = 0.3585-0.2070 0.2927 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3786 -88.3786 -88.3657 -88.3657 -88.3573 -88.3573 -88.3573 -88.3573 1.9650 1.9650 4.4546 4.4546 4.6970 4.6970 6.1693 6.1693 6.3689 6.3689 6.8886 6.8886 7.1956 7.1956 8.0647 8.0647 8.5430 8.5430 9.1793 9.1793 11.8026 11.8026 16.5160 16.5160 17.0233 17.0233 17.1166 17.1166 k = 0.3679-0.2124 0.3004 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3782 -88.3782 -88.3661 -88.3661 -88.3573 -88.3573 -88.3573 -88.3573 2.0497 2.0497 4.4269 4.4269 4.6655 4.6655 6.2061 6.2061 6.4047 6.4047 6.9125 6.9125 7.0764 7.0764 7.9918 7.9918 8.4647 8.4647 9.2146 9.2146 11.7793 11.7793 16.5126 16.5126 17.0723 17.0723 17.1596 17.1596 k = 0.3774-0.2179 0.3081 ( 3679 PWs) bands (ev): -89.8662 -89.8662 -88.3778 -88.3778 -88.3665 -88.3665 -88.3573 -88.3573 -88.3573 -88.3573 2.1349 2.1349 4.3961 4.3961 4.6378 4.6378 6.2427 6.2427 6.4396 6.4396 6.9358 6.9358 6.9644 6.9644 7.9181 7.9181 8.3872 8.3872 9.2521 9.2522 11.7564 11.7564 16.5093 16.5093 17.1185 17.1185 17.2000 17.2000 k = 0.3868-0.2233 0.3158 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3774 -88.3774 -88.3669 -88.3669 -88.3573 -88.3573 -88.3573 -88.3573 2.2203 2.2203 4.3619 4.3619 4.6141 4.6141 6.2777 6.2777 6.4732 6.4732 6.8571 6.8571 6.9636 6.9636 7.8444 7.8444 8.3107 8.3107 9.2906 9.2906 11.7340 11.7340 16.5060 16.5060 17.1619 17.1619 17.2378 17.2378 k = 0.3962-0.2288 0.3235 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3770 -88.3770 -88.3673 -88.3673 -88.3573 -88.3573 -88.3573 -88.3573 2.3054 2.3054 4.3246 4.3246 4.5944 4.5944 6.3082 6.3082 6.5046 6.5046 6.7648 6.7648 6.9901 6.9901 7.7711 7.7711 8.2354 8.2354 9.3290 9.3290 11.7124 11.7124 16.5030 16.5030 17.2024 17.2024 17.2729 17.2729 k = 0.4057-0.2342 0.3312 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3765 -88.3765 -88.3678 -88.3678 -88.3573 -88.3573 -88.3573 -88.3573 2.3898 2.3898 4.2846 4.2846 4.5782 4.5782 6.3278 6.3278 6.5326 6.5326 6.6926 6.6926 7.0180 7.0180 7.6987 7.6987 8.1613 8.1613 9.3665 9.3665 11.6915 11.6915 16.5001 16.5001 17.2399 17.2399 17.3053 17.3053 k = 0.4151-0.2397 0.3389 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3761 -88.3761 -88.3682 -88.3682 -88.3573 -88.3573 -88.3573 -88.3573 2.4730 2.4730 4.2423 4.2423 4.5651 4.5651 6.3262 6.3262 6.5564 6.5564 6.6521 6.6521 7.0473 7.0473 7.6276 7.6276 8.0887 8.0887 9.4024 9.4024 11.6716 11.6716 16.4974 16.4974 17.2743 17.2743 17.3350 17.3350 k = 0.4245-0.2451 0.3466 ( 3672 PWs) bands (ev): -89.8662 -89.8662 -88.3757 -88.3757 -88.3686 -88.3686 -88.3573 -88.3573 -88.3573 -88.3573 2.5542 2.5542 4.1985 4.1985 4.5546 4.5546 6.2969 6.2969 6.5801 6.5801 6.6460 6.6460 7.0779 7.0779 7.5584 7.5584 8.0178 8.0178 9.4363 9.4363 11.6529 11.6529 16.4949 16.4949 17.3056 17.3056 17.3617 17.3617 k = 0.4340-0.2505 0.3543 ( 3672 PWs) bands (ev): -89.8662 -89.8662 -88.3753 -88.3753 -88.3690 -88.3690 -88.3573 -88.3573 -88.3573 -88.3573 2.6325 2.6325 4.1540 4.1540 4.5463 4.5463 6.2487 6.2487 6.6100 6.6100 6.6595 6.6595 7.1092 7.1092 7.4918 7.4918 7.9486 7.9486 9.4675 9.4675 11.6356 11.6356 16.4926 16.4926 17.3335 17.3335 17.3855 17.3855 k = 0.4434-0.2560 0.3620 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3749 -88.3749 -88.3694 -88.3694 -88.3573 -88.3573 -88.3573 -88.3573 2.7067 2.7067 4.1098 4.1098 4.5398 4.5398 6.1948 6.1948 6.6437 6.6437 6.6821 6.6821 7.1395 7.1395 7.4298 7.4298 7.8815 7.8815 9.4955 9.4955 11.6200 11.6200 16.4907 16.4907 17.3580 17.3580 17.4063 17.4063 k = 0.4528-0.2614 0.3697 ( 3672 PWs) bands (ev): -89.8662 -89.8662 -88.3745 -88.3745 -88.3698 -88.3698 -88.3573 -88.3573 -88.3573 -88.3573 2.7755 2.7755 4.0669 4.0669 4.5348 4.5348 6.1431 6.1431 6.6718 6.6718 6.7155 6.7155 7.1647 7.1647 7.3766 7.3766 7.8168 7.8168 9.5201 9.5201 11.6062 11.6062 16.4890 16.4890 17.3789 17.3789 17.4240 17.4240 k = 0.4623-0.2669 0.3774 ( 3676 PWs) bands (ev): -89.8662 -89.8662 -88.3740 -88.3740 -88.3702 -88.3702 -88.3573 -88.3573 -88.3573 -88.3573 2.8370 2.8370 4.0271 4.0271 4.5311 4.5311 6.0977 6.0977 6.6907 6.6907 6.7594 6.7594 7.1734 7.1734 7.3433 7.3433 7.7551 7.7551 9.5407 9.5407 11.5946 11.5946 16.4876 16.4876 17.3963 17.3963 17.4385 17.4385 k = 0.4717-0.2723 0.3851 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3737 -88.3737 -88.3706 -88.3706 -88.3573 -88.3573 -88.3573 -88.3573 2.8889 2.8889 3.9924 3.9924 4.5284 4.5284 6.0609 6.0609 6.7038 6.7038 6.8081 6.8081 7.1530 7.1530 7.3421 7.3421 7.6977 7.6977 9.5572 9.5572 11.5854 11.5854 16.4865 16.4865 17.4099 17.4099 17.4499 17.4499 k = 0.4811-0.2778 0.3928 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3733 -88.3733 -88.3710 -88.3710 -88.3573 -88.3573 -88.3573 -88.3573 2.9288 2.9288 3.9649 3.9649 4.5266 4.5266 6.0339 6.0339 6.7128 6.7128 6.8575 6.8575 7.1124 7.1124 7.3633 7.3633 7.6468 7.6468 9.5691 9.5691 11.5786 11.5786 16.4857 16.4857 17.4196 17.4196 17.4580 17.4580 k = 0.4906-0.2832 0.4005 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 2.9540 2.9540 3.9472 3.9472 4.5256 4.5256 6.0174 6.0174 6.7181 6.7181 6.9023 6.9023 7.0694 7.0694 7.3880 7.3880 7.6080 7.6080 9.5763 9.5763 11.5745 11.5745 16.4852 16.4852 17.4255 17.4255 17.4629 17.4629 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9627 2.9627 3.9411 3.9411 4.5252 4.5252 6.0119 6.0119 6.7199 6.7199 6.9247 6.9247 7.0472 7.0472 7.3993 7.3993 7.5923 7.5923 9.5787 9.5787 11.5731 11.5731 16.4850 16.4850 17.4275 17.4275 17.4645 17.4645 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9627 2.9627 3.9411 3.9411 4.5252 4.5252 6.0119 6.0119 6.7199 6.7199 6.9247 6.9247 7.0472 7.0472 7.3993 7.3993 7.5923 7.5923 9.5787 9.5787 11.5731 11.5731 16.4850 16.4850 17.4275 17.4275 17.4645 17.4645 k = 0.5000-0.2780 0.4158 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9639 2.9642 3.9399 3.9422 4.5236 4.5267 6.0046 6.0058 6.7051 6.7220 6.9059 6.9239 7.0478 7.0783 7.3913 7.4144 7.5867 7.6042 9.5762 9.5856 11.5700 11.5766 16.4767 16.4768 17.4200 17.4241 17.4560 17.4676 k = 0.5000-0.2673 0.4234 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9678 2.9684 3.9386 3.9432 4.5219 4.5281 5.9841 5.9863 6.6813 6.7100 6.8808 6.9136 7.0697 7.1246 7.3939 7.4325 7.5860 7.6247 9.5780 9.5969 11.5673 11.5804 16.4527 16.4529 17.3913 17.3976 17.4609 17.4689 k = 0.5000-0.2566 0.4309 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9744 2.9753 3.9372 3.9442 4.5201 4.5293 5.9507 5.9534 6.6531 6.6865 6.8624 6.9030 7.0983 7.1686 7.4102 7.4497 7.5907 7.6565 9.5846 9.6126 11.5649 11.5848 16.4144 16.4156 17.3335 17.3517 17.4755 17.4770 k = 0.5000-0.2459 0.4385 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9837 2.9849 3.9358 3.9451 4.5182 4.5305 5.9050 5.9077 6.6245 6.6582 6.8512 6.8942 7.1275 7.2017 7.4392 7.4632 7.6033 7.7006 9.5960 9.6329 11.5628 11.5895 16.3645 16.3674 17.2578 17.2842 17.4905 17.4933 k = 0.5000-0.2352 0.4460 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9958 2.9972 3.9344 3.9459 4.5162 4.5315 5.8482 5.8502 6.5983 6.6308 6.8443 6.8867 7.1550 7.2238 7.4717 7.4725 7.6294 7.7551 9.6127 9.6579 11.5609 11.5947 16.3056 16.3112 17.1674 17.1993 17.5063 17.5119 k = 0.5000-0.2245 0.4536 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0104 3.0121 3.9328 3.9466 4.5142 4.5323 5.7818 5.7827 6.5758 6.6069 6.8396 6.8801 7.1806 7.2387 7.4785 7.4962 7.6738 7.8169 9.6350 9.6881 11.5591 11.6003 16.2399 16.2494 17.0651 17.1001 17.5227 17.5299 k = 0.5000-0.2138 0.4612 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0278 3.0298 3.9313 3.9472 4.5121 4.5331 5.7071 5.7075 6.5573 6.5873 6.8361 6.8739 7.2041 7.2503 7.4821 7.5104 7.7331 7.8826 9.6635 9.7235 11.5573 11.6063 16.1697 16.1841 16.9531 16.9894 17.5387 17.5464 k = 0.5000-0.2031 0.4687 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0478 3.0501 3.9297 3.9478 4.5100 4.5337 5.6254 5.6272 6.5425 6.5715 6.8334 6.8679 7.2261 7.2607 7.4844 7.5178 7.7997 7.9494 9.6984 9.7646 11.5556 11.6126 16.0966 16.1170 16.8334 16.8694 17.5535 17.5611 k = 0.5000-0.1925 0.4763 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0705 3.0731 3.9281 3.9482 4.5080 4.5342 5.5392 5.5423 6.5308 6.5590 6.8311 6.8618 7.2467 7.2709 7.4858 7.5215 7.8683 8.0149 9.7403 9.8115 11.5538 11.6193 16.0218 16.0494 16.7078 16.7421 17.5671 17.5739 k = 0.5000-0.1818 0.4838 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0958 3.0987 3.9264 3.9486 4.5059 4.5345 5.4499 5.4544 6.5218 6.5491 6.8293 6.8558 7.2660 7.2814 7.4867 7.5231 7.9355 8.0775 9.7892 9.8643 11.5520 11.6261 15.9464 15.9824 16.5777 16.6093 17.5794 17.5849 k = 0.5000-0.1711 0.4914 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.1237 3.1269 3.9248 3.9489 4.5039 4.5347 5.3586 5.3644 6.5149 6.5411 6.8279 6.8497 7.2843 7.2924 7.4876 7.5235 7.9995 8.1358 9.8453 9.9230 11.5499 11.6331 15.8710 15.9169 16.4449 16.4723 17.5904 17.5944 k = 0.5000-0.1604 0.4990 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.1542 3.1576 3.9231 3.9491 4.5019 4.5347 5.2664 5.2733 6.5097 6.5345 6.8267 6.8436 7.3014 7.3039 7.4885 7.5230 8.0592 8.1892 9.9082 9.9875 11.5477 11.6403 15.7962 15.8535 16.3109 16.3328 17.6003 17.6025 k = 0.5000-0.1497 0.5065 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.1872 3.1910 3.9215 3.9493 4.5000 4.5344 5.1738 5.1820 6.5058 6.5291 6.8259 6.8376 7.3159 7.3174 7.4899 7.5219 8.1138 8.2370 9.9776 10.0572 11.5453 11.6474 15.7220 15.7926 16.1773 16.1920 17.6092 17.6095 k = 0.5000-0.1390 0.5141 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.2227 3.2268 3.9199 3.9494 4.4982 4.5339 5.0815 5.0909 6.5031 6.5244 6.8254 6.8317 7.3281 7.3321 7.4917 7.5202 8.1631 8.2792 10.0527 10.1317 11.5427 11.6545 15.6480 15.7346 16.0464 16.0514 17.6156 17.6172 k = 0.5000-0.1283 0.5217 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.2606 3.2651 3.9184 3.9494 4.4964 4.5330 4.9899 5.0009 6.5012 6.5205 6.8251 6.8259 7.3405 7.3453 7.4942 7.5182 8.2070 8.3159 10.1324 10.2100 11.5399 11.6614 15.5734 15.6793 15.9126 15.9206 17.6209 17.6244 k = 0.5000-0.1176 0.5292 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.3009 3.3057 3.9169 3.9494 4.4948 4.5314 4.8994 4.9125 6.5000 6.5170 6.8203 6.8250 7.3530 7.3570 7.4974 7.5158 8.2457 8.3474 10.2155 10.2911 11.5368 11.6681 15.4965 15.6259 15.7783 15.8033 17.6256 17.6309 k = 0.5000-0.1069 0.5368 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.3434 3.3486 3.9155 3.9492 4.4933 4.5286 4.8105 4.8266 6.4994 6.5139 6.8150 6.8251 7.3654 7.3672 7.5014 7.5130 8.2794 8.3741 10.3005 10.3738 11.5337 11.6746 15.4150 15.5686 15.6555 15.6984 17.6297 17.6368 k = 0.5000-0.0962 0.5443 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.3881 3.3937 3.9142 3.9490 4.4918 4.5234 4.7235 4.7448 6.4992 6.5112 6.8100 6.8254 7.3756 7.3775 7.5061 7.5099 8.3084 8.3964 10.3860 10.4566 11.5304 11.6806 15.3277 15.4835 15.5700 15.6087 17.6333 17.6421 k = 0.5000-0.0855 0.5519 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.4347 3.4408 3.9129 3.9488 4.4905 4.5124 4.6388 4.6708 6.4992 6.5088 6.8054 6.8257 7.3826 7.3894 7.5066 7.5113 8.3332 8.4150 10.4701 10.5380 11.5270 11.6862 15.2356 15.3726 15.5211 15.5350 17.6366 17.6469 k = 0.5000-0.0748 0.5595 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.4830 3.4896 3.9118 3.9484 4.4873 4.4889 4.5571 4.6134 6.4995 6.5066 6.8012 6.8261 7.3881 7.4008 7.5029 7.5168 8.3539 8.4302 10.5511 10.6163 11.5236 11.6913 15.1424 15.2622 15.4754 15.4845 17.6394 17.6512 k = 0.5000-0.0642 0.5670 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.5326 3.5398 3.9108 3.9479 4.4395 4.4734 4.4927 4.5816 6.4999 6.5048 6.7975 6.8266 7.3924 7.4118 7.4989 7.5223 8.3712 8.4426 10.6270 10.6897 11.5204 11.6959 15.0525 15.1599 15.4273 15.4542 17.6418 17.6549 k = 0.5000-0.0535 0.5746 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.5828 3.5907 3.9100 3.9471 4.3772 4.4017 4.4887 4.5679 6.5003 6.5032 6.7942 6.8270 7.3957 7.4222 7.4945 7.5275 8.3852 8.4523 10.6959 10.7562 11.5173 11.6998 14.9700 15.0686 15.3887 15.4290 17.6439 17.6581 k = 0.5000-0.0428 0.5821 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.6326 3.6412 3.9093 3.9460 4.3123 4.3323 4.4877 4.5617 6.5008 6.5019 6.7916 6.8274 7.3981 7.4319 7.4898 7.5321 8.3962 8.4599 10.7558 10.8139 11.5145 11.7031 14.8981 14.9906 15.3582 15.4086 17.6457 17.6607 k = 0.5000-0.0321 0.5897 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.6801 3.6896 3.9087 3.9444 4.2511 4.2702 4.4871 4.5585 6.5009 6.5012 6.7894 6.8277 7.3999 7.4409 7.4848 7.5360 8.4045 8.4655 10.8048 10.8611 11.5121 11.7057 14.8392 14.9276 15.3350 15.3929 17.6470 17.6628 k = 0.5000-0.0214 0.5973 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7221 3.7325 3.9083 3.9422 4.1984 4.2188 4.4867 4.5567 6.5001 6.5015 6.7879 6.8279 7.4010 7.4492 7.4794 7.5388 8.4104 8.4694 10.8412 10.8962 11.5103 11.7076 14.7957 14.8814 15.3187 15.3816 17.6480 17.6643 k = 0.5000-0.0107 0.6048 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7528 3.7638 3.9080 3.9397 4.1611 4.1836 4.4864 4.5559 6.4997 6.5017 6.7870 6.8281 7.4017 7.4563 7.4741 7.5406 8.4138 8.4717 10.8637 10.9178 11.5091 11.7087 14.7689 14.8530 15.3090 15.3749 17.6486 17.6652 k = 0.5000 0.0000 0.6124 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7645 3.7757 3.9080 3.9384 4.1471 4.1708 4.4863 4.5556 6.4995 6.5017 6.7867 6.8282 7.4019 7.4600 7.4709 7.5412 8.4149 8.4724 10.8712 10.9251 11.5087 11.7091 14.7598 14.8435 15.3057 15.3727 17.6488 17.6655 k = 0.5000 0.0000 0.6124 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7645 3.7757 3.9080 3.9384 4.1471 4.1708 4.4863 4.5556 6.4995 6.5017 6.7867 6.8282 7.4019 7.4600 7.4709 7.5412 8.4149 8.4724 10.8712 10.9251 11.5087 11.7091 14.7598 14.8435 15.3057 15.3727 17.6488 17.6655 k = 0.4934 0.0114 0.6124 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7575 3.7687 3.9000 3.9352 4.1474 4.1875 4.4918 4.5620 6.4954 6.5028 6.7873 6.8278 7.3938 7.4625 7.4763 7.5444 8.4153 8.4729 10.8613 10.9126 11.5181 11.7154 14.7632 14.8477 15.3062 15.3753 17.6477 17.6646 k = 0.4868 0.0228 0.6124 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 3.7414 3.7523 3.8792 3.9212 4.1571 4.2180 4.5102 4.5817 6.4871 6.5019 6.7890 6.8267 7.3782 7.4565 7.4985 7.5531 8.4162 8.4741 10.8324 10.8769 11.5449 11.7336 14.7725 14.8605 15.3073 15.3835 17.6445 17.6621 k = 0.4803 0.0342 0.6124 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3731 -88.3731 -88.3712 -88.3712 -88.3573 -88.3573 -88.3573 -88.3573 3.7202 3.7306 3.8534 3.8983 4.1729 4.2454 4.5437 4.6147 6.4756 6.4981 6.7907 6.8253 7.3627 7.4484 7.5263 7.5654 8.4175 8.4759 10.7869 10.8231 11.5843 11.7617 14.7865 14.8819 15.3089 15.3975 17.6391 17.6585 k = 0.4737 0.0456 0.6124 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3732 -88.3732 -88.3711 -88.3711 -88.3573 -88.3573 -88.3573 -88.3573 3.6955 3.7053 3.8274 3.8720 4.1879 4.2641 4.5920 4.6595 6.4613 6.4915 6.7915 6.8236 7.3494 7.4410 7.5554 7.5814 8.4191 8.4781 10.7279 10.7567 11.6315 11.7966 14.8043 14.9114 15.3115 15.4172 17.6316 17.6542 k = 0.4671 0.0570 0.6124 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3734 -88.3734 -88.3709 -88.3709 -88.3573 -88.3573 -88.3573 -88.3573 3.6683 3.6776 3.8033 3.8461 4.1996 4.2745 4.6516 4.7135 6.4447 6.4819 6.7901 6.8219 7.3390 7.4356 7.5819 7.6036 8.4208 8.4806 10.6585 10.6824 11.6826 11.8356 14.8250 14.9477 15.3162 15.4422 17.6225 17.6496 k = 0.4605 0.0684 0.6124 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3735 -88.3735 -88.3708 -88.3708 -88.3573 -88.3573 -88.3573 -88.3573 3.6394 3.6485 3.7819 3.8223 4.2075 4.2792 4.7182 4.7739 6.4261 6.4695 6.7861 6.8201 7.3318 7.4330 7.6030 7.6342 8.4226 8.4831 10.5814 10.6034 11.7350 11.8765 14.8480 14.9887 15.3242 15.4720 17.6123 17.6453 k = 0.4539 0.0798 0.6124 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3736 -88.3736 -88.3707 -88.3707 -88.3573 -88.3573 -88.3573 -88.3573 3.6098 3.6189 3.7633 3.8011 4.2126 4.2805 4.7884 4.8382 6.4060 6.4543 6.7795 6.8176 7.3275 7.4335 7.6225 7.6690 8.4244 8.4855 10.4994 10.5220 11.7868 11.9174 14.8725 15.0316 15.3373 15.5063 17.6017 17.6418 k = 0.4474 0.0912 0.6124 ( 3710 PWs) bands (ev): -89.8662 -89.8662 -88.3738 -88.3737 -88.3706 -88.3706 -88.3573 -88.3573 -88.3573 -88.3573 3.5803 3.5898 3.7469 3.7824 4.2155 4.2798 4.8599 4.9043 6.3847 6.4365 6.7712 6.8137 7.3259 7.4368 7.6426 7.7057 8.4262 8.4876 10.4150 10.4396 11.8369 11.9570 14.8981 15.0729 15.3580 15.5444 17.5916 17.6397 k = 0.4408 0.1026 0.6124 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3739 -88.3739 -88.3704 -88.3704 -88.3573 -88.3573 -88.3573 -88.3573 3.5520 3.5617 3.7327 3.7660 4.2170 4.2781 4.9311 4.9706 6.3625 6.4163 6.7619 6.8082 7.3266 7.4426 7.6640 7.7434 8.4278 8.4893 10.3302 10.3574 11.8844 11.9945 14.9240 15.1088 15.3886 15.5857 17.5830 17.6398 k = 0.4342 0.1140 0.6124 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3740 -88.3740 -88.3703 -88.3703 -88.3573 -88.3573 -88.3573 -88.3573 3.5253 3.5352 3.7202 3.7518 4.2175 4.2759 5.0007 5.0359 6.3396 6.3939 6.7522 6.8009 7.3290 7.4500 7.6867 7.7817 8.4294 8.4905 10.2468 10.2769 11.9288 12.0291 14.9496 15.1368 15.4303 15.6292 17.5769 17.6430 k = 0.4276 0.1253 0.6124 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3741 -88.3741 -88.3702 -88.3702 -88.3573 -88.3573 -88.3573 -88.3573 3.5007 3.5107 3.7094 3.7394 4.2175 4.2735 5.0678 5.0989 6.3164 6.3698 6.7429 6.7923 7.3328 7.4584 7.7108 7.8198 8.4310 8.4910 10.1664 10.1993 11.9696 12.0605 14.9744 15.1567 15.4815 15.6738 17.5745 17.6501 k = 0.4211 0.1367 0.6124 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3742 -88.3741 -88.3701 -88.3701 -88.3573 -88.3573 -88.3573 -88.3573 3.4785 3.4886 3.7000 3.7287 4.2170 4.2712 5.1313 5.1587 6.2932 6.3446 6.7343 6.7826 7.3374 7.4669 7.7357 7.8571 8.4327 8.4907 10.0904 10.1260 12.0064 12.0883 14.9977 15.1701 15.5391 15.7179 17.5769 17.6621 k = 0.4145 0.1481 0.6124 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3742 -88.3742 -88.3701 -88.3701 -88.3573 -88.3573 -88.3573 -88.3573 3.4589 3.4690 3.6920 3.7196 4.2164 4.2690 5.1904 5.2143 6.2706 6.3188 6.7268 6.7724 7.3424 7.4750 7.7608 7.8927 8.4346 8.4893 10.0203 10.0585 12.0390 12.1123 15.0193 15.1787 15.5993 15.7599 17.5854 17.6801 k = 0.4079 0.1595 0.6124 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3743 -88.3743 -88.3700 -88.3700 -88.3573 -88.3573 -88.3573 -88.3573 3.4421 3.4523 3.6852 3.7121 4.2158 4.2671 5.2438 5.2644 6.2491 6.2936 6.7208 6.7622 7.3474 7.4822 7.7852 7.9258 8.4369 8.4869 9.9575 9.9981 12.0672 12.1325 15.0385 15.1841 15.6588 15.7979 17.6011 17.7049 k = 0.4013 0.1709 0.6124 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3743 -88.3743 -88.3700 -88.3700 -88.3573 -88.3573 -88.3573 -88.3573 3.4282 3.4384 3.6798 3.7059 4.2151 4.2654 5.2905 5.3081 6.2294 6.2700 6.7163 6.7525 7.3520 7.4883 7.8077 7.9551 8.4399 8.4833 9.9035 9.9463 12.0908 12.1487 15.0550 15.1873 15.7146 15.8298 17.6249 17.7372 k = 0.3947 0.1823 0.6124 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4174 3.4276 3.6756 3.7012 4.2146 4.2641 5.3290 5.3440 6.2126 6.2493 6.7134 6.7439 7.3559 7.4931 7.8271 7.9794 8.4436 8.4787 9.8596 9.9044 12.1095 12.1611 15.0685 15.1890 15.7640 15.8538 17.6571 17.7770 k = 0.3882 0.1937 0.6124 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4096 3.4198 3.6726 3.6978 4.2142 4.2632 5.3579 5.3709 6.1997 6.2331 6.7119 6.7369 7.3589 7.4965 7.8420 7.9978 8.4484 8.4730 9.8272 9.8735 12.1231 12.1697 15.0786 15.1898 15.8048 15.8685 17.6962 17.8222 k = 0.3816 0.2051 0.6124 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4049 3.4151 3.6708 3.6958 4.2139 4.2626 5.3759 5.3875 6.1914 6.2226 6.7115 6.7321 7.3607 7.4986 7.8515 8.0092 8.4540 8.4668 9.8073 9.8545 12.1314 12.1748 15.0848 15.1901 15.8342 15.8736 17.7365 17.8636 k = 0.3750 0.2165 0.6124 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.3750 0.2165 0.6124 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.3683 0.2126 0.6014 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3747 -88.3746 -88.3696 -88.3696 -88.3573 -88.3573 -88.3573 -88.3573 3.4268 3.4417 3.6230 3.6395 4.2039 4.2487 5.4024 5.4113 6.1671 6.2019 6.7001 6.7246 7.3622 7.5193 7.8567 8.0302 8.5377 8.5397 9.7779 9.8213 12.2351 12.2732 14.9907 15.1028 15.7797 15.8004 17.7152 17.8558 k = 0.3616 0.2088 0.5905 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3749 -88.3749 -88.3694 -88.3694 -88.3573 -88.3573 -88.3573 -88.3573 3.4161 3.4369 3.6045 3.6116 4.1990 4.2403 5.4272 5.4332 6.1488 6.1871 6.6873 6.7183 7.3627 7.5393 7.8565 8.0463 8.6168 8.6217 9.7488 9.7889 12.3419 12.3758 14.8945 15.0155 15.7170 15.7321 17.6672 17.8273 k = 0.3549 0.2049 0.5796 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3751 -88.3751 -88.3692 -88.3692 -88.3573 -88.3573 -88.3573 -88.3573 3.3626 3.3838 3.6247 3.6285 4.1979 4.2364 5.4554 5.4578 6.1343 6.1750 6.6733 6.7112 7.3626 7.5587 7.8550 8.0623 8.6978 8.7057 9.7140 9.7517 12.4533 12.4830 14.7985 14.9283 15.6587 15.6682 17.6147 17.7888 k = 0.3482 0.2010 0.5686 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3754 -88.3753 -88.3689 -88.3689 -88.3573 -88.3573 -88.3573 -88.3573 3.2864 3.3051 3.6648 3.6687 4.2000 4.2365 5.4838 5.4860 6.1245 6.1659 6.6584 6.7034 7.3613 7.5766 7.8535 8.0789 8.7804 8.7915 9.6740 9.7106 12.5681 12.5936 14.7027 14.8411 15.6046 15.6087 17.5586 17.7319 k = 0.3415 0.1972 0.5577 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3756 -88.3756 -88.3687 -88.3687 -88.3573 -88.3573 -88.3573 -88.3573 3.2005 3.2165 3.7129 3.7175 4.2046 4.2398 5.5099 5.5181 6.1202 6.1601 6.6429 6.6948 7.3584 7.5916 7.8534 8.0970 8.8645 8.8789 9.6295 9.6664 12.6850 12.7065 14.6072 14.7540 15.5537 15.5548 17.5002 17.6587 k = 0.3348 0.1933 0.5468 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3759 -88.3759 -88.3684 -88.3684 -88.3573 -88.3573 -88.3573 -88.3573 3.1096 3.1234 3.7649 3.7704 4.2112 4.2459 5.5346 5.5505 6.1225 6.1581 6.6272 6.6855 7.3533 7.6020 7.8568 8.1172 8.9498 8.9679 9.5812 9.6202 12.8029 12.8204 14.5122 14.6672 15.5032 15.5094 17.4405 17.5809 k = 0.3281 0.1894 0.5358 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3761 -88.3761 -88.3682 -88.3682 -88.3573 -88.3573 -88.3573 -88.3573 3.0159 3.0278 3.8193 3.8257 4.2196 4.2546 5.5567 5.5824 6.1325 6.1601 6.6120 6.6755 7.3457 7.6059 7.8655 8.1399 9.0358 9.0583 9.5297 9.5729 12.9206 12.9341 14.4177 14.5807 15.4573 15.4684 17.3803 17.5019 k = 0.3214 0.1856 0.5249 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3764 -88.3764 -88.3679 -88.3679 -88.3573 -88.3573 -88.3573 -88.3573 2.9207 2.9310 3.8753 3.8828 4.2296 4.2655 5.5750 5.6126 6.1511 6.1663 6.5981 6.6650 7.3354 7.6025 7.8805 8.1655 9.1214 9.1500 9.4756 9.5265 13.0368 13.0463 14.3238 14.4944 15.4161 15.4317 17.3204 17.4233 k = 0.3147 0.1817 0.5140 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3767 -88.3767 -88.3676 -88.3676 -88.3573 -88.3573 -88.3573 -88.3573 2.8246 2.8336 3.9322 3.9411 4.2409 4.2786 5.5890 5.6403 6.1763 6.1785 6.5865 6.6540 7.3222 7.5917 7.9020 8.1942 9.2036 9.2430 9.4195 9.4843 13.1503 13.1558 14.2306 14.4087 15.3795 15.3996 17.2613 17.3458 k = 0.3080 0.1778 0.5030 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3770 -88.3770 -88.3673 -88.3673 -88.3573 -88.3573 -88.3573 -88.3573 2.7282 2.7361 3.9896 4.0002 4.2535 4.2938 5.5984 5.6649 6.1893 6.2147 6.5786 6.6427 7.3062 7.5743 7.9291 8.2262 9.2715 9.3371 9.3622 9.4579 13.2600 13.2613 14.1382 14.3234 15.3476 15.3719 17.2038 17.2702 k = 0.3013 0.1740 0.4921 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3773 -88.3772 -88.3670 -88.3670 -88.3573 -88.3573 -88.3573 -88.3573 2.6320 2.6390 4.0469 4.0599 4.2674 4.3114 5.6036 5.6860 6.2036 6.2589 6.5766 6.6315 7.2873 7.5514 7.9606 8.2614 9.2957 9.3036 9.4328 9.4773 13.3617 13.3646 14.0468 14.2389 15.3204 15.3488 17.1481 17.1968 k = 0.2946 0.1701 0.4811 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3776 -88.3775 -88.3667 -88.3667 -88.3573 -88.3573 -88.3573 -88.3573 2.5363 2.5424 4.1036 4.1198 4.2827 4.3316 5.6054 5.7036 6.2167 6.3097 6.5826 6.6209 7.2659 7.5242 7.9955 8.2998 9.2451 9.2736 9.5292 9.5456 13.4557 13.4628 13.9567 14.1552 15.2978 15.3301 17.0947 17.1261 k = 0.2879 0.1662 0.4702 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3779 -88.3778 -88.3664 -88.3664 -88.3573 -88.3573 -88.3573 -88.3573 2.4413 2.4467 4.1586 4.1793 4.2996 4.3550 5.6044 5.7179 6.2260 6.3650 6.5988 6.6123 7.2422 7.4934 8.0328 8.3410 9.1869 9.2361 9.6266 9.6326 13.5423 13.5529 13.8687 14.0728 15.2795 15.3157 17.0439 17.0585 k = 0.2812 0.1624 0.4593 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3782 -88.3781 -88.3661 -88.3661 -88.3573 -88.3573 -88.3573 -88.3573 2.3472 2.3520 4.2109 4.2371 4.3190 4.3825 5.6016 5.7294 6.2298 6.4207 6.6087 6.6263 7.2167 7.4597 8.0717 8.3848 9.1298 9.1958 9.7249 9.7262 13.6202 13.6305 13.7867 13.9921 15.2652 15.3053 16.9944 16.9959 k = 0.2746 0.1585 0.4483 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3785 -88.3785 -88.3658 -88.3658 -88.3573 -88.3573 -88.3573 -88.3573 2.2542 2.2584 4.2591 4.2897 4.3445 4.4151 5.5975 5.7386 6.2275 6.4680 6.6183 6.6645 7.1900 7.4236 8.1116 8.4308 9.0744 9.1568 9.8231 9.8240 13.6560 13.6871 13.7497 13.9153 15.2543 15.2983 16.9340 16.9509 k = 0.2679 0.1546 0.4374 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3788 -88.3788 -88.3655 -88.3655 -88.3573 -88.3573 -88.3573 -88.3573 2.1624 2.1662 4.3021 4.3286 4.3839 4.4538 5.5928 5.7460 6.2201 6.4933 6.6537 6.7111 7.1630 7.3855 8.1516 8.4782 9.0219 9.1210 9.9221 9.9237 13.5894 13.7331 13.7975 13.8520 15.2462 15.2941 16.8778 16.9090 k = 0.2612 0.1508 0.4265 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3791 -88.3791 -88.3652 -88.3652 -88.3573 -88.3573 -88.3573 -88.3573 2.0720 2.0754 4.3399 4.3551 4.4359 4.4983 5.5881 5.7521 6.2088 6.4970 6.7139 6.7628 7.1375 7.3459 8.1912 8.5259 8.9737 9.0898 10.0225 10.0240 13.5083 13.7170 13.8437 13.8527 15.2399 15.2916 16.8261 16.8703 k = 0.2545 0.1469 0.4155 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 1.9831 1.9861 4.3735 4.3777 4.4915 4.5472 5.5837 5.7571 6.1949 6.4899 6.7872 6.8145 7.1168 7.3052 8.2295 8.5719 8.9324 9.0645 10.1240 10.1246 13.4264 13.6531 13.8766 13.9019 15.2343 15.2896 16.7791 16.8345 k = 0.2478 0.1430 0.4046 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3797 -88.3797 -88.3646 -88.3646 -88.3573 -88.3573 -88.3573 -88.3573 1.8957 1.8984 4.3995 4.4043 4.5473 4.5988 5.5801 5.7612 6.1797 6.4783 6.8580 6.8666 7.1079 7.2639 8.2659 8.6121 8.9024 9.0463 10.2253 10.2264 13.3456 13.5816 13.9114 13.9441 15.2285 15.2871 16.7371 16.8015 k = 0.2411 0.1392 0.3937 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3800 -88.3800 -88.3643 -88.3643 -88.3573 -88.3573 -88.3573 -88.3573 1.8101 1.8124 4.4214 4.4335 4.6021 4.6517 5.5775 5.7646 6.1639 6.4644 6.8814 6.9484 7.1210 7.2230 8.2996 8.6396 8.8911 9.0363 10.3260 10.3292 13.2666 13.5099 13.9417 13.9794 15.2213 15.2826 16.7001 16.7710 k = 0.2344 0.1353 0.3827 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3803 -88.3803 -88.3640 -88.3640 -88.3573 -88.3573 -88.3573 -88.3573 1.7261 1.7282 4.4437 4.4619 4.6552 4.7047 5.5764 5.7673 6.1485 6.4493 6.8797 7.0284 7.1602 7.1851 8.3304 8.6485 8.9053 9.0355 10.4263 10.4324 13.1898 13.4398 13.9670 14.0086 15.2119 15.2750 16.6680 16.7426 k = 0.2277 0.1315 0.3718 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3806 -88.3806 -88.3637 -88.3637 -88.3573 -88.3573 -88.3573 -88.3573 1.6439 1.6458 4.4665 4.4901 4.7061 4.7572 5.5770 5.7692 6.1340 6.4333 6.8604 7.0866 7.1690 7.2168 8.3585 8.6419 8.9427 9.0446 10.5259 10.5354 13.1157 13.3721 13.9876 14.0325 15.1996 15.2636 16.6406 16.7158 k = 0.2210 0.1276 0.3609 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3809 -88.3809 -88.3634 -88.3634 -88.3573 -88.3573 -88.3573 -88.3573 1.5636 1.5653 4.4898 4.5182 4.7544 4.8084 5.5797 5.7701 6.1212 6.4167 6.8320 7.0746 7.2222 7.2809 8.3846 8.6289 8.9953 9.0637 10.6244 10.6380 13.0447 13.3075 14.0042 14.0521 15.1837 15.2476 16.6176 16.6902 k = 0.2143 0.1237 0.3499 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3812 -88.3812 -88.3631 -88.3631 -88.3573 -88.3573 -88.3573 -88.3573 1.4852 1.4867 4.5136 4.5464 4.7995 4.8579 5.5846 5.7700 6.1105 6.3996 6.7991 7.0380 7.2975 7.3465 8.4105 8.6170 9.0567 9.0924 10.7213 10.7396 12.9773 13.2466 14.0178 14.0681 15.1642 15.2267 16.5981 16.6654 k = 0.2076 0.1199 0.3390 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3815 -88.3815 -88.3628 -88.3628 -88.3573 -88.3573 -88.3573 -88.3573 1.4088 1.4101 4.5379 4.5748 4.8412 4.9054 5.5921 5.7685 6.1025 6.3822 6.7640 6.9986 7.3717 7.4097 8.4384 8.6111 9.1238 9.1298 10.8160 10.8395 12.9143 13.1901 14.0289 14.0814 15.1410 15.2011 16.5815 16.6411 k = 0.2009 0.1160 0.3281 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3818 -88.3818 -88.3625 -88.3625 -88.3573 -88.3573 -88.3573 -88.3573 1.3344 1.3356 4.5626 4.6034 4.8790 4.9503 5.6021 5.7655 6.0976 6.3645 6.7280 6.9593 7.4404 7.4675 8.4709 8.6144 9.1750 9.1950 10.9077 10.9371 12.8564 13.1387 14.0381 14.0928 15.1141 15.1709 16.5670 16.6170 k = 0.1942 0.1121 0.3171 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3821 -88.3821 -88.3622 -88.3622 -88.3573 -88.3573 -88.3573 -88.3573 1.2621 1.2631 4.5877 4.6323 4.9129 4.9926 5.6147 5.7610 6.0959 6.3468 6.6919 6.9211 7.5011 7.5177 8.5107 8.6291 9.2269 9.2692 10.9956 11.0313 12.8047 13.0935 14.0462 14.1027 15.0840 15.1367 16.5535 16.5931 k = 0.1875 0.1083 0.3062 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3824 -88.3824 -88.3619 -88.3619 -88.3573 -88.3573 -88.3573 -88.3573 1.1919 1.1928 4.6132 4.6613 4.9426 5.0317 5.6298 5.7550 6.0976 6.3291 6.6561 6.8842 7.5520 7.5586 8.5599 8.6570 9.2844 9.3461 11.0787 11.1207 12.7605 13.0555 14.0536 14.1117 15.0509 15.0990 16.5402 16.5694 k = 0.1808 0.1044 0.2953 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3827 -88.3827 -88.3616 -88.3616 -88.3573 -88.3573 -88.3573 -88.3573 1.1238 1.1246 4.6389 4.6904 4.9682 5.0676 5.6469 5.7477 6.1025 6.3117 6.6212 6.8490 7.5895 7.5923 8.6199 8.6986 9.3467 9.4252 11.1559 11.2040 12.7253 13.0258 14.0607 14.1204 15.0154 15.0583 16.5259 16.5458 k = 0.1741 0.1005 0.2843 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3830 -88.3830 -88.3613 -88.3613 -88.3573 -88.3573 -88.3573 -88.3573 1.0579 1.0586 4.6649 4.7195 4.9899 5.1001 5.6656 5.7393 6.1104 6.2949 6.5874 6.8158 7.6105 7.6220 8.6909 8.7536 9.4130 9.5063 11.2258 11.2792 12.7010 13.0057 14.0679 14.1291 14.9778 15.0153 16.5096 16.5224 k = 0.1674 0.0967 0.2734 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3833 -88.3833 -88.3611 -88.3611 -88.3573 -88.3573 -88.3573 -88.3573 0.9942 0.9948 4.6910 4.7485 5.0079 5.1290 5.6851 5.7304 6.1208 6.2791 6.5551 6.7845 7.6226 7.6420 8.7724 8.8207 9.4829 9.5892 11.2873 11.3444 12.6896 12.9964 14.0754 14.1380 14.9387 14.9707 16.4901 16.4994 k = 0.1607 0.0928 0.2624 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3835 -88.3835 -88.3608 -88.3608 -88.3573 -88.3573 -88.3573 -88.3573 0.9327 0.9333 4.7172 4.7774 5.0227 5.1541 5.7046 5.7212 6.1333 6.2648 6.5245 6.7552 7.6273 7.6537 8.8631 8.8985 9.5557 9.6737 11.3392 11.3978 12.6929 12.9991 14.0835 14.1475 14.8987 14.9250 16.4658 16.4766 k = 0.1540 0.0889 0.2515 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3838 -88.3838 -88.3605 -88.3605 -88.3573 -88.3573 -88.3573 -88.3573 0.8736 0.8740 4.7433 4.8059 5.0346 5.1755 5.7122 5.7233 6.1473 6.2526 6.4959 6.7280 7.6263 7.6585 8.9614 8.9849 9.6312 9.7596 11.3808 11.4381 12.7121 13.0144 14.0924 14.1576 14.8581 14.8788 16.4345 16.4540 k = 0.1473 0.0851 0.2406 ( 3697 PWs) bands (ev): -89.8662 -89.8662 -88.3840 -88.3840 -88.3603 -88.3603 -88.3573 -88.3573 -88.3573 -88.3573 0.8167 0.8171 4.7693 4.8339 5.0440 5.1933 5.7036 5.7401 6.1624 6.2431 6.4694 6.7026 7.6211 7.6579 9.0659 9.0781 9.7090 9.8467 11.4117 11.4648 12.7477 13.0427 14.1021 14.1686 14.8175 14.8325 16.3936 16.4316 k = 0.1406 0.0812 0.2296 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3843 -88.3843 -88.3600 -88.3600 -88.3573 -88.3573 -88.3573 -88.3573 0.7622 0.7626 4.7951 4.8613 5.0514 5.2073 5.6959 5.7542 6.1781 6.2368 6.4452 6.6792 7.6130 7.6533 9.1750 9.1768 9.7888 9.9348 11.4321 11.4786 12.7990 13.0836 14.1128 14.1804 14.7775 14.7867 16.3397 16.4089 k = 0.1339 0.0773 0.2187 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3845 -88.3845 -88.3598 -88.3598 -88.3573 -88.3573 -88.3573 -88.3573 0.7101 0.7104 4.8205 4.8879 5.0571 5.2179 5.6892 5.7649 6.1940 6.2343 6.4235 6.6574 7.6031 7.6456 9.2794 9.2876 9.8703 10.0235 11.4429 11.4810 12.8644 13.1364 14.1243 14.1929 14.7384 14.7418 16.2695 16.3848 k = 0.1272 0.0735 0.2078 ( 3681 PWs) bands (ev): -89.8662 -89.8662 -88.3847 -88.3847 -88.3596 -88.3596 -88.3573 -88.3573 -88.3573 -88.3573 0.6603 0.6605 4.8454 4.9135 5.0615 5.2251 5.6837 5.7720 6.2096 6.2356 6.4043 6.6372 7.5921 7.6358 9.3850 9.4024 9.9534 10.1126 11.4450 11.4742 12.9417 13.1996 14.1365 14.2061 14.6982 14.7008 16.1809 16.3558 k = 0.1205 0.0696 0.1968 ( 3681 PWs) bands (ev): -89.8662 -89.8662 -88.3850 -88.3850 -88.3593 -88.3593 -88.3573 -88.3573 -88.3573 -88.3573 0.6129 0.6131 4.8698 4.9380 5.0648 5.2293 5.6796 5.7754 6.2247 6.2407 6.3878 6.6183 7.5809 7.6246 9.4925 9.5185 10.0378 10.2017 11.4400 11.4603 13.0286 13.2717 14.1493 14.2195 14.6566 14.6653 16.0747 16.3090 k = 0.1138 0.0657 0.1859 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3852 -88.3852 -88.3591 -88.3591 -88.3573 -88.3573 -88.3573 -88.3573 0.5680 0.5682 4.8934 4.9612 5.0673 5.2306 5.6769 5.7754 6.2388 6.2490 6.3739 6.6007 7.5697 7.6124 9.6011 9.6349 10.1232 10.2904 11.4293 11.4413 13.1231 13.3510 14.1621 14.2327 14.6175 14.6325 15.9542 16.2202 k = 0.1071 0.0619 0.1750 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3854 -88.3854 -88.3589 -88.3589 -88.3573 -88.3573 -88.3573 -88.3573 0.5255 0.5257 4.9162 4.9828 5.0693 5.2296 5.6757 5.7728 6.2518 6.2600 6.3627 6.5840 7.5590 7.5997 9.7103 9.7508 10.2094 10.3782 11.4141 11.4188 13.2231 13.4357 14.1746 14.2448 14.5816 14.6031 15.8239 16.0963 k = 0.1004 0.0580 0.1640 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3856 -88.3856 -88.3588 -88.3587 -88.3573 -88.3573 -88.3573 -88.3573 0.4855 0.4857 4.9379 5.0028 5.0708 5.2264 5.6758 5.7681 6.2636 6.2728 6.3540 6.5683 7.5490 7.5869 9.8192 9.8653 10.2963 10.4646 11.3943 11.3959 13.3272 13.5241 14.1860 14.2546 14.5500 14.5778 15.6883 15.9579 k = 0.0938 0.0541 0.1531 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3857 -88.3857 -88.3586 -88.3586 -88.3573 -88.3573 -88.3573 -88.3573 0.4480 0.4481 4.9586 5.0211 5.0720 5.2215 5.6773 5.7622 6.2740 6.2868 6.3479 6.5533 7.5397 7.5742 9.9274 9.9777 10.3833 10.5491 11.3690 11.3757 13.4339 13.6142 14.1956 14.2605 14.5241 14.5576 15.5512 15.8149 k = 0.0871 0.0503 0.1422 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3859 -88.3859 -88.3584 -88.3584 -88.3573 -88.3573 -88.3573 -88.3573 0.4130 0.4131 4.9779 5.0375 5.0732 5.2152 5.6799 5.7558 6.2830 6.3011 6.3441 6.5390 7.5313 7.5619 10.0342 10.0869 10.4703 10.6311 11.3437 11.3545 13.5419 13.7042 14.2027 14.2606 14.5053 14.5433 15.4157 15.6722 k = 0.0804 0.0464 0.1312 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3861 -88.3861 -88.3582 -88.3582 -88.3573 -88.3573 -88.3573 -88.3573 0.3806 0.3806 4.9960 5.0520 5.0743 5.2077 5.6836 5.7494 6.2909 6.3153 6.3424 6.5251 7.5237 7.5502 10.1389 10.1923 10.5568 10.7100 11.3192 11.3331 13.6500 13.7915 14.2073 14.2531 14.4945 14.5354 15.2844 15.5328 k = 0.0737 0.0425 0.1203 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3862 -88.3862 -88.3581 -88.3581 -88.3573 -88.3573 -88.3573 -88.3573 0.3507 0.3507 5.0125 5.0646 5.0756 5.1995 5.6882 5.7434 6.2978 6.3288 6.3425 6.5116 7.5170 7.5392 10.2408 10.2929 10.6422 10.7851 11.2961 11.3123 13.7569 13.8728 14.2106 14.2379 14.4914 14.5342 15.1599 15.3990 k = 0.0670 0.0387 0.1094 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3863 -88.3863 -88.3580 -88.3580 -88.3573 -88.3573 -88.3573 -88.3573 0.3233 0.3233 5.0275 5.0754 5.0771 5.1906 5.6934 5.7381 6.3041 6.3412 6.3440 6.4985 7.5111 7.5291 10.3390 10.3877 10.7259 10.8558 11.2751 11.2928 13.8612 13.9431 14.2156 14.2159 14.4942 14.5390 15.0445 15.2728 k = 0.0603 0.0348 0.0984 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3865 -88.3865 -88.3579 -88.3579 -88.3573 -88.3573 -88.3573 -88.3573 0.2985 0.2985 5.0409 5.0789 5.0844 5.1815 5.6989 5.7339 6.3102 6.3465 6.3523 6.4857 7.5058 7.5199 10.4325 10.4760 10.8071 10.9214 11.2565 11.2753 13.9605 13.9948 14.1893 14.2282 14.5006 14.5493 14.9408 15.1558 k = 0.0536 0.0309 0.0875 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3866 -88.3866 -88.3577 -88.3577 -88.3573 -88.3573 -88.3573 -88.3573 0.2763 0.2763 5.0526 5.0811 5.0918 5.1722 5.7046 5.7307 6.3163 6.3497 6.3618 6.4731 7.5012 7.5117 10.5201 10.5568 10.8849 10.9816 11.2409 11.2602 14.0213 14.0479 14.1647 14.2536 14.5083 14.5641 14.8513 15.0498 k = 0.0469 0.0271 0.0765 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3867 -88.3867 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2567 0.2567 5.0627 5.0839 5.0977 5.1630 5.7101 5.7285 6.3227 6.3533 6.3697 6.4607 7.4972 7.5046 10.6003 10.6292 10.9579 11.0358 11.2286 11.2482 14.0243 14.0838 14.1808 14.2883 14.5158 14.5824 14.7785 14.9565 k = 0.0402 0.0232 0.0656 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2396 0.2396 5.0712 5.0872 5.1022 5.1539 5.7153 5.7274 6.3295 6.3573 6.3759 6.4484 7.4937 7.4986 10.6715 10.6924 11.0249 11.0838 11.2201 11.2396 14.0118 14.0575 14.2469 14.3234 14.5230 14.6033 14.7240 14.8772 k = 0.0335 0.0193 0.0547 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3575 -88.3575 -88.3573 -88.3573 -88.3573 -88.3573 0.2252 0.2252 5.0782 5.0910 5.1055 5.1450 5.7198 5.7271 6.3368 6.3615 6.3803 6.4365 7.4907 7.4937 10.7323 10.7457 11.0846 11.1255 11.2155 11.2345 13.9910 14.0199 14.3096 14.3520 14.5320 14.6251 14.6878 14.8126 k = 0.0268 0.0155 0.0437 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2134 0.2134 5.0843 5.0951 5.1077 5.1366 5.7235 5.7274 6.3445 6.3658 6.3832 6.4247 7.4882 7.4898 10.7813 10.7887 11.1353 11.1609 11.2146 11.2324 13.9667 13.9825 14.3548 14.3719 14.5484 14.6451 14.6673 14.7626 k = 0.0201 0.0116 0.0328 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2042 0.2042 5.0898 5.0990 5.1088 5.1285 5.7264 5.7280 6.3528 6.3701 6.3845 6.4132 7.4862 7.4868 10.8181 10.8214 11.1759 11.1897 11.2167 11.2323 13.9427 13.9498 14.3792 14.3837 14.5754 14.6580 14.6604 14.7259 k = 0.0134 0.0077 0.0219 ( 3701 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.1976 0.1976 5.0954 5.1024 5.1091 5.1209 5.7283 5.7288 6.3617 6.3742 6.3845 6.4021 7.4847 7.4849 10.8431 10.8441 11.2053 11.2115 11.2209 11.2326 13.9224 13.9246 14.3888 14.3895 14.6080 14.6558 14.6682 14.7000 k = 0.0067 0.0039 0.0109 ( 3697 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1937 0.1937 5.1011 5.1052 5.1086 5.1139 5.7294 5.7295 6.3710 6.3778 6.3832 6.3913 7.4837 7.4837 10.8573 10.8574 11.2232 11.2253 11.2256 11.2319 13.9087 13.9089 14.3917 14.3917 14.6385 14.6579 14.6678 14.6812 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1924 0.1924 5.1073 5.1073 5.1073 5.1073 5.7298 5.7298 6.3809 6.3809 6.3809 6.3809 7.4834 7.4834 10.8619 10.8619 11.2296 11.2296 11.2296 11.2296 13.9037 13.9037 14.3923 14.3923 14.6627 14.6627 14.6627 14.6627 k = 0.0000 0.0000 0.0000 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1924 0.1924 5.1073 5.1073 5.1073 5.1073 5.7298 5.7298 6.3809 6.3809 6.3809 6.3809 7.4834 7.4834 10.8619 10.8619 11.2296 11.2296 11.2296 11.2296 13.9037 13.9037 14.3923 14.3923 14.6627 14.6627 14.6627 14.6627 k = 0.0109 0.0063 0.0044 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1937 0.1937 5.1010 5.1068 5.1068 5.1141 5.7295 5.7295 6.3708 6.3805 6.3805 6.3916 7.4837 7.4837 10.8574 10.8574 11.2240 11.2240 11.2258 11.2324 13.9087 13.9087 14.3918 14.3918 14.6381 14.6633 14.6633 14.6807 k = 0.0217 0.0126 0.0089 ( 3701 PWs) bands (ev): -89.8662 -89.8662 -88.3870 -88.3870 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 -88.3573 0.1976 0.1976 5.0953 5.1056 5.1056 5.1214 5.7286 5.7286 6.3613 6.3791 6.3791 6.4029 7.4847 7.4847 10.8436 10.8436 11.2081 11.2081 11.2210 11.2343 13.9231 13.9231 14.3901 14.3901 14.6073 14.6659 14.6659 14.6914 k = 0.0326 0.0188 0.0133 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2041 0.2041 5.0902 5.1034 5.1034 5.1292 5.7272 5.7272 6.3524 6.3770 6.3770 6.4146 7.4863 7.4863 10.8193 10.8193 11.1840 11.1840 11.2151 11.2351 13.9448 13.9448 14.3863 14.3863 14.5712 14.6725 14.6725 14.6946 k = 0.0435 0.0251 0.0177 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3869 -88.3869 -88.3574 -88.3574 -88.3573 -88.3573 -88.3573 -88.3573 0.2132 0.2132 5.0856 5.1002 5.1002 5.1375 5.7254 5.7254 6.3442 6.3740 6.3740 6.4269 7.4885 7.4885 10.7828 10.7828 11.1551 11.1551 11.2082 11.2348 13.9711 13.9711 14.3792 14.3792 14.5303 14.6863 14.6863 14.6900 k = 0.0543 0.0314 0.0222 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3575 -88.3575 -88.3573 -88.3573 -88.3573 -88.3573 0.2248 0.2248 5.0817 5.0959 5.0959 5.1461 5.7233 5.7233 6.3368 6.3702 6.3702 6.4397 7.4911 7.4911 10.7327 10.7327 11.1245 11.1245 11.2001 11.2333 13.9987 13.9987 14.3675 14.3675 14.4853 14.6776 14.7108 14.7108 k = 0.0652 0.0377 0.0266 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3868 -88.3868 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2391 0.2391 5.0783 5.0903 5.0903 5.1551 5.7211 5.7211 6.3303 6.3658 6.3658 6.4530 7.4941 7.4941 10.6685 10.6685 11.0947 11.0947 11.1907 11.2305 14.0244 14.0244 14.3505 14.3505 14.4371 14.6577 14.7487 14.7487 k = 0.0761 0.0439 0.0311 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3867 -88.3867 -88.3576 -88.3576 -88.3573 -88.3573 -88.3573 -88.3573 0.2559 0.2559 5.0754 5.0832 5.0832 5.1644 5.7190 5.7190 6.3247 6.3608 6.3608 6.4668 7.4972 7.4972 10.5911 10.5911 11.0665 11.0665 11.1798 11.2263 14.0461 14.0461 14.3285 14.3285 14.3863 14.6306 14.8012 14.8012 k = 0.0870 0.0502 0.0355 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3866 -88.3866 -88.3577 -88.3577 -88.3573 -88.3573 -88.3573 -88.3573 0.2753 0.2753 5.0731 5.0745 5.0745 5.1738 5.7171 5.7171 6.3201 6.3552 6.3552 6.4811 7.5002 7.5002 10.5025 10.5025 11.0400 11.0400 11.1674 11.2205 14.0624 14.0624 14.3026 14.3026 14.3336 14.5972 14.8674 14.8674 k = 0.0978 0.0565 0.0399 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3865 -88.3865 -88.3578 -88.3578 -88.3573 -88.3573 -88.3573 -88.3573 0.2972 0.2972 5.0639 5.0639 5.0713 5.1834 5.7156 5.7156 6.3166 6.3493 6.3493 6.4960 7.5030 7.5030 10.4049 10.4049 11.0141 11.0141 11.1532 11.2129 14.0730 14.0730 14.2746 14.2746 14.2797 14.5582 14.9454 14.9454 k = 0.1087 0.0628 0.0444 ( 3710 PWs) bands (ev): -89.8662 -89.8662 -88.3864 -88.3864 -88.3580 -88.3580 -88.3573 -88.3573 -88.3573 -88.3573 0.3217 0.3217 5.0513 5.0513 5.0701 5.1929 5.7147 5.7147 6.3144 6.3430 6.3430 6.5115 7.5054 7.5054 10.3007 10.3007 10.9882 10.9882 11.1371 11.2034 14.0777 14.0777 14.2253 14.2465 14.2465 14.5147 15.0327 15.0327 k = 0.1196 0.0690 0.0488 ( 3710 PWs) bands (ev): -89.8662 -89.8662 -88.3862 -88.3862 -88.3581 -88.3581 -88.3573 -88.3573 -88.3573 -88.3573 0.3487 0.3487 5.0364 5.0364 5.0693 5.2023 5.7147 5.7147 6.3136 6.3366 6.3366 6.5276 7.5071 7.5071 10.1918 10.1918 10.9615 10.9615 11.1188 11.1917 14.0762 14.0762 14.1711 14.2207 14.2207 14.4677 15.1268 15.1268 k = 0.1304 0.0753 0.0532 ( 3710 PWs) bands (ev): -89.8662 -89.8662 -88.3861 -88.3861 -88.3582 -88.3582 -88.3573 -88.3573 -88.3573 -88.3573 0.3782 0.3782 5.0190 5.0190 5.0689 5.2116 5.7155 5.7155 6.3142 6.3301 6.3301 6.5444 7.5078 7.5078 10.0800 10.0800 10.9332 10.9332 11.0983 11.1778 14.0679 14.0679 14.1176 14.1999 14.1999 14.4183 15.2252 15.2252 k = 0.1413 0.0816 0.0577 ( 3707 PWs) bands (ev): -89.8662 -89.8662 -88.3859 -88.3859 -88.3584 -88.3584 -88.3573 -88.3573 -88.3573 -88.3573 0.4103 0.4103 4.9991 4.9991 5.0689 5.2205 5.7173 5.7173 6.3164 6.3237 6.3237 6.5617 7.5073 7.5073 9.9667 9.9667 10.9030 10.9030 11.0753 11.1613 14.0528 14.0528 14.0653 14.1856 14.1856 14.3674 15.3257 15.3257 k = 0.1522 0.0879 0.0621 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3858 -88.3858 -88.3585 -88.3585 -88.3573 -88.3573 -88.3573 -88.3573 0.4448 0.4448 4.9765 4.9765 5.0694 5.2291 5.7202 5.7202 6.3175 6.3175 6.3203 6.5798 7.5053 7.5053 9.8532 9.8532 10.8704 10.8704 11.0496 11.1421 14.0149 14.0326 14.0326 14.1777 14.1777 14.3160 15.4266 15.4266 k = 0.1630 0.0941 0.0666 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3856 -88.3856 -88.3587 -88.3587 -88.3573 -88.3573 -88.3573 -88.3573 0.4817 0.4817 4.9511 4.9511 5.0701 5.2371 5.7241 5.7241 6.3116 6.3116 6.3261 6.5986 7.5014 7.5014 9.7408 9.7408 10.8351 10.8351 11.0212 11.1202 13.9666 14.0098 14.0098 14.1746 14.1746 14.2648 15.5261 15.5261 k = 0.1739 0.1004 0.0710 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3854 -88.3854 -88.3589 -88.3589 -88.3573 -88.3573 -88.3573 -88.3573 0.5211 0.5211 4.9229 4.9229 5.0712 5.2445 5.7289 5.7289 6.3062 6.3062 6.3337 6.6181 7.4955 7.4955 9.6303 9.6303 10.7971 10.7971 10.9900 11.0952 13.9209 13.9865 13.9865 14.1752 14.1752 14.2145 15.6227 15.6227 k = 0.1848 0.1067 0.0754 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3852 -88.3852 -88.3591 -88.3591 -88.3573 -88.3573 -88.3573 -88.3573 0.5629 0.5629 4.8918 4.8918 5.0726 5.2512 5.7346 5.7346 6.3015 6.3015 6.3434 6.6384 7.4871 7.4871 9.5229 9.5229 10.7562 10.7562 10.9558 11.0672 13.8781 13.9643 13.9643 14.1659 14.1785 14.1785 15.7153 15.7153 k = 0.1957 0.1130 0.0799 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3850 -88.3850 -88.3593 -88.3593 -88.3573 -88.3573 -88.3573 -88.3573 0.6071 0.6071 4.8578 4.8578 5.0742 5.2572 5.7408 5.7408 6.2975 6.2975 6.3552 6.6594 7.4761 7.4761 9.4193 9.4193 10.7124 10.7124 10.9186 11.0361 13.8384 13.9441 13.9441 14.1192 14.1841 14.1841 15.8029 15.8029 k = 0.2065 0.1192 0.0843 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3848 -88.3848 -88.3595 -88.3595 -88.3573 -88.3573 -88.3573 -88.3573 0.6536 0.6536 4.8210 4.8210 5.0760 5.2623 5.7476 5.7476 6.2944 6.2944 6.3691 6.6812 7.4620 7.4620 9.3203 9.3203 10.6657 10.6657 10.8786 11.0018 13.8021 13.9264 13.9264 14.0749 14.1917 14.1917 15.8848 15.8848 k = 0.2174 0.1255 0.0887 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3846 -88.3846 -88.3597 -88.3597 -88.3573 -88.3573 -88.3573 -88.3573 0.7025 0.7025 4.7813 4.7813 5.0781 5.2665 5.7546 5.7546 6.2924 6.2924 6.3851 6.7037 7.4448 7.4448 9.2267 9.2267 10.6162 10.6162 10.8357 10.9644 13.7691 13.9116 13.9116 14.0332 14.2013 14.2013 15.9606 15.9606 k = 0.2283 0.1318 0.0932 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3844 -88.3844 -88.3599 -88.3599 -88.3573 -88.3573 -88.3573 -88.3573 0.7536 0.7536 4.7388 4.7388 5.0803 5.2697 5.7615 5.7615 6.2916 6.2916 6.4034 6.7269 7.4243 7.4243 9.1390 9.1390 10.5641 10.5641 10.7900 10.9239 13.7395 13.8997 13.8997 13.9944 14.2128 14.2128 16.0302 16.0302 k = 0.2391 0.1381 0.0976 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3841 -88.3841 -88.3602 -88.3602 -88.3573 -88.3573 -88.3573 -88.3573 0.8069 0.8069 4.6935 4.6935 5.0827 5.2721 5.7683 5.7683 6.2920 6.2920 6.4238 6.7508 7.4005 7.4005 9.0579 9.0579 10.5096 10.5096 10.7419 10.8806 13.7133 13.8907 13.8907 13.9585 14.2260 14.2260 16.0936 16.0936 k = 0.2500 0.1443 0.1021 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3839 -88.3839 -88.3604 -88.3604 -88.3573 -88.3573 -88.3573 -88.3573 0.8624 0.8624 4.6455 4.6455 5.0852 5.2735 5.7745 5.7745 6.2937 6.2937 6.4463 6.7754 7.3734 7.3734 8.9835 8.9835 10.4529 10.4529 10.6915 10.8344 13.6904 13.8846 13.8846 13.9256 14.2409 14.2409 16.1510 16.1510 k = 0.2609 0.1506 0.1065 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3836 -88.3836 -88.3607 -88.3607 -88.3573 -88.3573 -88.3573 -88.3573 0.9201 0.9201 4.5947 4.5947 5.0878 5.2741 5.7801 5.7801 6.2966 6.2966 6.4709 6.8006 7.3434 7.3434 8.9161 8.9161 10.3943 10.3943 10.6390 10.7858 13.6707 13.8812 13.8812 13.8956 14.2574 14.2574 16.2029 16.2029 k = 0.2717 0.1569 0.1109 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3834 -88.3834 -88.3609 -88.3609 -88.3573 -88.3573 -88.3573 -88.3573 0.9797 0.9797 4.5412 4.5412 5.0905 5.2737 5.7849 5.7849 6.3007 6.3007 6.4974 6.8263 7.3109 7.3109 8.8558 8.8558 10.3341 10.3341 10.5848 10.7348 13.6540 13.8684 13.8803 13.8803 14.2753 14.2753 16.2497 16.2497 k = 0.2826 0.1632 0.1154 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3832 -88.3832 -88.3611 -88.3611 -88.3573 -88.3573 -88.3573 -88.3573 1.0414 1.0414 4.4850 4.4850 5.0933 5.2726 5.7887 5.7887 6.3058 6.3058 6.5258 6.8523 7.2765 7.2765 8.8023 8.8023 10.2727 10.2727 10.5292 10.6819 13.6402 13.8440 13.8817 13.8817 14.2946 14.2946 16.2920 16.2920 k = 0.2935 0.1694 0.1198 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3829 -88.3829 -88.3614 -88.3614 -88.3573 -88.3573 -88.3573 -88.3573 1.1050 1.1050 4.4262 4.4262 5.0962 5.2707 5.7916 5.7916 6.3116 6.3116 6.5559 6.8787 7.2410 7.2410 8.7553 8.7553 10.2104 10.2104 10.4727 10.6272 13.6290 13.8221 13.8850 13.8850 14.3150 14.3150 16.3301 16.3301 k = 0.3043 0.1757 0.1242 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3826 -88.3826 -88.3617 -88.3617 -88.3573 -88.3573 -88.3573 -88.3573 1.1705 1.1705 4.3649 4.3649 5.0992 5.2681 5.7934 5.7934 6.3179 6.3179 6.5875 6.9053 7.2053 7.2053 8.7145 8.7145 10.1475 10.1475 10.4155 10.5713 13.6202 13.8026 13.8901 13.8901 14.3365 14.3365 16.3646 16.3646 k = 0.3152 0.1820 0.1287 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3824 -88.3824 -88.3619 -88.3619 -88.3573 -88.3573 -88.3573 -88.3573 1.2376 1.2376 4.3011 4.3011 5.1022 5.2648 5.7942 5.7942 6.3242 6.3242 6.6206 6.9319 7.1702 7.1702 8.6794 8.6794 10.0845 10.0845 10.3581 10.5143 13.6135 13.7853 13.8967 13.8967 14.3588 14.3588 16.3959 16.3959 k = 0.3261 0.1883 0.1331 ( 3675 PWs) bands (ev): -89.8662 -89.8662 -88.3821 -88.3821 -88.3622 -88.3622 -88.3573 -88.3573 -88.3573 -88.3573 1.3064 1.3064 4.2350 4.2350 5.1054 5.2610 5.7940 5.7940 6.3300 6.3300 6.6548 6.9583 7.1368 7.1368 8.6494 8.6494 10.0216 10.0216 10.3011 10.4567 13.6088 13.7700 13.9044 13.9044 14.3816 14.3816 16.4243 16.4243 k = 0.3370 0.1945 0.1376 ( 3675 PWs) bands (ev): -89.8662 -89.8662 -88.3819 -88.3819 -88.3624 -88.3624 -88.3573 -88.3573 -88.3573 -88.3573 1.3766 1.3766 4.1667 4.1667 5.1086 5.2567 5.7930 5.7930 6.3350 6.3350 6.6900 6.9843 7.1060 7.1060 8.6240 8.6240 9.9594 9.9594 10.2447 10.3989 13.6058 13.7564 13.9130 13.9130 14.4049 14.4049 16.4501 16.4501 k = 0.3478 0.2008 0.1420 ( 3675 PWs) bands (ev): -89.8662 -89.8662 -88.3816 -88.3816 -88.3626 -88.3626 -88.3573 -88.3573 -88.3573 -88.3573 1.4481 1.4481 4.0964 4.0964 5.1119 5.2520 5.7913 5.7913 6.3386 6.3386 6.7260 7.0098 7.0785 7.0785 8.6026 8.6026 9.8981 9.8981 10.1894 10.3413 13.6043 13.7443 13.9223 13.9223 14.4283 14.4283 16.4736 16.4736 k = 0.3587 0.2071 0.1464 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3814 -88.3814 -88.3629 -88.3629 -88.3573 -88.3573 -88.3573 -88.3573 1.5208 1.5208 4.0243 4.0243 5.1153 5.2469 5.7889 5.7889 6.3405 6.3405 6.7625 7.0344 7.0550 7.0550 8.5848 8.5848 9.8382 9.8382 10.1358 10.2843 13.6041 13.7337 13.9320 13.9320 14.4516 14.4516 16.4951 16.4951 k = 0.3696 0.2134 0.1509 ( 3693 PWs) bands (ev): -89.8662 -89.8662 -88.3812 -88.3812 -88.3631 -88.3631 -88.3573 -88.3573 -88.3573 -88.3573 1.5943 1.5943 3.9508 3.9508 5.1189 5.2415 5.7861 5.7861 6.3405 6.3405 6.7992 7.0358 7.0358 7.0578 8.5700 8.5700 9.7802 9.7802 10.0844 10.2283 13.6050 13.7242 13.9418 13.9418 14.4745 14.4745 16.5147 16.5147 k = 0.3804 0.2196 0.1553 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3810 -88.3810 -88.3633 -88.3633 -88.3573 -88.3573 -88.3573 -88.3573 1.6684 1.6684 3.8762 3.8762 5.1225 5.2359 5.7829 5.7829 6.3385 6.3385 6.8359 7.0212 7.0212 7.0799 8.5580 8.5580 9.7244 9.7244 10.0355 10.1737 13.6068 13.7157 13.9516 13.9516 14.4969 14.4969 16.5325 16.5325 k = 0.3913 0.2259 0.1597 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3807 -88.3807 -88.3636 -88.3636 -88.3573 -88.3573 -88.3573 -88.3573 1.7428 1.7428 3.8009 3.8009 5.1262 5.2301 5.7794 5.7794 6.3346 6.3346 6.8723 7.0109 7.0109 7.1003 8.5482 8.5482 9.6712 9.6712 9.9896 10.1210 13.6094 13.7081 13.9612 13.9612 14.5184 14.5184 16.5486 16.5486 k = 0.4022 0.2322 0.1642 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3805 -88.3805 -88.3638 -88.3638 -88.3573 -88.3573 -88.3573 -88.3573 1.8170 1.8170 3.7254 3.7254 5.1301 5.2242 5.7759 5.7759 6.3292 6.3292 6.9080 7.0046 7.0046 7.1186 8.5405 8.5405 9.6212 9.6212 9.9473 10.0705 13.6126 13.7011 13.9703 13.9703 14.5388 14.5388 16.5632 16.5632 k = 0.4130 0.2385 0.1686 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3804 -88.3804 -88.3639 -88.3639 -88.3573 -88.3573 -88.3573 -88.3573 1.8903 1.8903 3.6506 3.6506 5.1341 5.2182 5.7724 5.7724 6.3226 6.3226 6.9428 7.0017 7.0017 7.1345 8.5344 8.5344 9.5747 9.5747 9.9091 10.0229 13.6163 13.6948 13.9789 13.9789 14.5578 14.5578 16.5763 16.5763 k = 0.4239 0.2447 0.1731 ( 3711 PWs) bands (ev): -89.8662 -89.8662 -88.3802 -88.3802 -88.3641 -88.3641 -88.3573 -88.3573 -88.3573 -88.3573 1.9621 1.9621 3.5772 3.5772 5.1383 5.2122 5.7689 5.7689 6.3154 6.3154 6.9763 7.0014 7.0014 7.1478 8.5298 8.5298 9.5323 9.5323 9.8752 9.9784 13.6203 13.6889 13.9868 13.9868 14.5752 14.5752 16.5878 16.5878 k = 0.4348 0.2510 0.1775 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3800 -88.3800 -88.3643 -88.3643 -88.3573 -88.3573 -88.3573 -88.3573 2.0313 2.0313 3.5063 3.5063 5.1426 5.2062 5.7657 5.7657 6.3081 6.3081 7.0030 7.0030 7.0082 7.1581 8.5263 8.5263 9.4943 9.4943 9.8462 9.9374 13.6247 13.6833 13.9939 13.9939 14.5909 14.5909 16.5979 16.5979 k = 0.4457 0.2573 0.1819 ( 3705 PWs) bands (ev): -89.8662 -89.8662 -88.3799 -88.3799 -88.3644 -88.3644 -88.3573 -88.3573 -88.3573 -88.3573 2.0965 2.0965 3.4395 3.4395 5.1470 5.2002 5.7629 5.7629 6.3011 6.3011 7.0058 7.0058 7.0380 7.1652 8.5238 8.5238 9.4612 9.4612 9.8225 9.9006 13.6292 13.6780 14.0000 14.0000 14.6044 14.6044 16.6065 16.6065 k = 0.4565 0.2636 0.1864 ( 3705 PWs) bands (ev): -89.8662 -89.8662 -88.3798 -88.3798 -88.3645 -88.3645 -88.3573 -88.3573 -88.3573 -88.3573 2.1559 2.1559 3.3787 3.3787 5.1517 5.1943 5.7604 5.7604 6.2948 6.2948 7.0091 7.0091 7.0655 7.1688 8.5221 8.5221 9.4335 9.4335 9.8042 9.8681 13.6339 13.6729 14.0052 14.0052 14.6158 14.6158 16.6135 16.6135 k = 0.4674 0.2698 0.1908 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3797 -88.3797 -88.3646 -88.3646 -88.3573 -88.3573 -88.3573 -88.3573 2.2071 2.2071 3.3263 3.3263 5.1564 5.1885 5.7584 5.7584 6.2896 6.2896 7.0123 7.0123 7.0904 7.1687 8.5210 8.5210 9.4115 9.4115 9.7917 9.8405 13.6387 13.6679 14.0092 14.0092 14.6248 14.6248 16.6191 16.6191 k = 0.4783 0.2761 0.1952 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2471 2.2471 3.2855 3.2855 5.1614 5.1828 5.7569 5.7569 6.2858 6.2858 7.0149 7.0149 7.1122 7.1649 8.5203 8.5203 9.3955 9.3955 9.7851 9.8181 13.6435 13.6630 14.0122 14.0122 14.6314 14.6314 16.6230 16.6230 k = 0.4891 0.2824 0.1997 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2728 2.2728 3.2592 3.2592 5.1665 5.1772 5.7560 5.7560 6.2834 6.2834 7.0166 7.0166 7.1308 7.1573 8.5199 8.5199 9.3858 9.3858 9.7845 9.8011 13.6484 13.6581 14.0139 14.0139 14.6353 14.6353 16.6254 16.6254 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2817 2.2817 3.2501 3.2501 5.1718 5.1718 5.7557 5.7557 6.2825 6.2825 7.0172 7.0172 7.1459 7.1459 8.5198 8.5198 9.3826 9.3826 9.7898 9.7898 13.6532 13.6532 14.0145 14.0145 14.6366 14.6366 16.6262 16.6262 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2817 2.2817 3.2501 3.2501 5.1718 5.1718 5.7557 5.7557 6.2825 6.2825 7.0172 7.0172 7.1459 7.1459 8.5198 8.5198 9.3826 9.3826 9.7898 9.7898 13.6532 13.6532 14.0145 14.0145 14.6366 14.6366 16.6262 16.6262 k = 0.5038 0.2777 0.2103 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2830 2.2833 3.2504 3.2507 5.1712 5.1712 5.7511 5.7585 6.2690 6.2949 7.0035 7.0303 7.1459 7.1460 8.5200 8.5236 9.3705 9.3887 9.7869 9.7870 13.6550 13.6550 14.0147 14.0168 14.6367 14.6434 16.6108 16.6246 k = 0.5076 0.2668 0.2165 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2872 2.2877 3.2518 3.2524 5.1694 5.1694 5.7448 5.7592 6.2546 6.3059 6.9893 7.0427 7.1460 7.1465 8.5241 8.5315 9.3526 9.3891 9.7782 9.7786 13.6600 13.6603 14.0171 14.0211 14.6439 14.6573 16.5802 16.6059 k = 0.5114 0.2559 0.2227 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.2942 2.2951 3.2541 3.2551 5.1662 5.1664 5.7372 5.7580 6.2396 6.3152 6.9744 7.0545 7.1461 7.1475 8.5321 8.5432 9.3287 9.3838 9.7638 9.7652 13.6679 13.6687 14.0212 14.0269 14.6585 14.6788 16.5376 16.5719 k = 0.5152 0.2449 0.2289 ( 3701 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.3041 2.3053 3.2574 3.2587 5.1616 5.1619 5.7285 5.7549 6.2243 6.3226 6.9587 7.0652 7.1462 7.1490 8.5440 8.5588 9.2992 9.3729 9.7440 9.7473 13.6780 13.6795 14.0263 14.0330 14.6814 14.7086 16.4864 16.5259 k = 0.5189 0.2340 0.2351 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3168 2.3183 3.2618 3.2634 5.1551 5.1558 5.7192 5.7502 6.2090 6.3281 6.9423 7.0742 7.1466 7.1513 8.5596 8.5780 9.2643 9.3567 9.7196 9.7254 13.6898 13.6917 14.0318 14.0384 14.7131 14.7473 16.4302 16.4717 k = 0.5227 0.2231 0.2412 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3324 2.3342 3.2671 3.2691 5.1467 5.1477 5.7098 5.7442 6.1938 6.3315 6.9250 7.0806 7.1481 7.1541 8.5786 8.6007 9.2245 9.3352 9.6910 9.7001 13.7021 13.7037 14.0376 14.0421 14.7541 14.7953 16.3721 16.4129 k = 0.5265 0.2121 0.2474 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3793 -88.3793 -88.3650 -88.3650 -88.3573 -88.3573 -88.3573 -88.3573 2.3508 2.3529 3.2734 3.2757 5.1359 5.1375 5.7006 5.7373 6.1789 6.3326 6.9069 7.0831 7.1517 7.1575 8.6008 8.6263 9.1807 9.3090 9.6592 9.6718 13.7134 13.7139 14.0438 14.0442 14.8045 14.8525 16.3146 16.3533 k = 0.5303 0.2012 0.2536 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3792 -88.3792 -88.3651 -88.3651 -88.3573 -88.3573 -88.3573 -88.3573 2.3720 2.3744 3.2807 3.2833 5.1225 5.1247 5.6923 5.7300 6.1643 6.3316 6.8881 7.0809 7.1580 7.1615 8.6255 8.6541 9.1340 9.2785 9.6247 9.6409 13.7185 13.7234 14.0439 14.0526 14.8636 14.9179 16.2602 16.2959 k = 0.5341 0.1903 0.2598 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3791 -88.3791 -88.3652 -88.3652 -88.3573 -88.3573 -88.3573 -88.3573 2.3960 2.3988 3.2890 3.2919 5.1063 5.1091 5.6851 5.7228 6.1499 6.3282 6.8686 7.0743 7.1659 7.1669 8.6522 8.6827 9.0864 9.2447 9.5883 9.6077 13.7162 13.7284 14.0439 14.0648 14.9305 14.9902 16.2113 16.2440 k = 0.5379 0.1793 0.2660 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3790 -88.3790 -88.3653 -88.3653 -88.3573 -88.3573 -88.3573 -88.3573 2.4227 2.4258 3.2982 3.3015 5.0869 5.0905 5.6793 5.7161 6.1357 6.3223 6.8489 7.0638 7.1707 7.1775 8.6796 8.7095 9.0409 9.2088 9.5505 9.5724 13.7046 13.7260 14.0463 14.0823 15.0032 15.0671 16.1702 16.2006 k = 0.5417 0.1684 0.2722 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3788 -88.3788 -88.3654 -88.3654 -88.3573 -88.3573 -88.3573 -88.3573 2.4521 2.4556 3.3085 3.3121 5.0644 5.0685 5.6751 5.7103 6.1216 6.3140 6.8291 7.0501 7.1759 7.1895 8.7059 8.7292 9.0034 9.1730 9.5116 9.5353 13.6826 13.7133 14.0537 14.1057 15.0793 15.1455 16.1393 16.1689 k = 0.5455 0.1575 0.2784 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3787 -88.3787 -88.3656 -88.3656 -88.3573 -88.3573 -88.3573 -88.3573 2.4841 2.4881 3.3196 3.3236 5.0387 5.0432 5.6725 5.7056 6.1077 6.3030 6.8096 7.0338 7.1815 7.2025 8.7282 8.7329 8.9830 9.1404 9.4720 9.4963 13.6502 13.6888 14.0678 14.1351 15.1558 15.2217 16.1214 16.1528 k = 0.5492 0.1465 0.2845 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3786 -88.3786 -88.3657 -88.3657 -88.3573 -88.3573 -88.3573 -88.3573 2.5188 2.5233 3.3318 3.3361 5.0098 5.0144 5.6715 5.7021 6.0938 6.2894 6.7908 7.0152 7.1875 7.2163 8.7138 8.7426 8.9870 9.1152 9.4319 9.4557 13.6084 13.6521 14.0892 14.1697 15.2291 15.2916 16.1195 16.1560 k = 0.5530 0.1356 0.2907 ( 3681 PWs) bands (ev): -89.8662 -89.8662 -88.3784 -88.3784 -88.3659 -88.3659 -88.3573 -88.3573 -88.3573 -88.3573 2.5561 2.5610 3.3448 3.3494 4.9778 4.9824 5.6716 5.6994 6.0802 6.2733 6.7730 6.9948 7.1939 7.2307 8.6751 8.7441 9.0122 9.1024 9.3916 9.4136 13.5581 13.6043 14.1171 14.2088 15.2954 15.3512 16.1367 16.1816 k = 0.5568 0.1247 0.2969 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3782 -88.3782 -88.3661 -88.3661 -88.3573 -88.3573 -88.3573 -88.3573 2.5958 2.6013 3.3588 3.3638 4.9430 4.9471 5.6726 5.6973 6.0670 6.2549 6.7565 6.9730 7.2008 7.2458 8.6254 8.7299 9.0504 9.1046 9.3518 9.3702 13.5005 13.5468 14.1505 14.2514 15.3517 15.3984 16.1751 16.2313 k = 0.5606 0.1137 0.3031 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3781 -88.3780 -88.3662 -88.3662 -88.3573 -88.3573 -88.3573 -88.3573 2.6379 2.6440 3.3737 3.3789 4.9054 4.9088 5.6737 5.6952 6.0545 6.2348 6.7417 6.9502 7.2082 7.2614 8.5704 8.7010 9.0954 9.1193 9.3140 9.3258 13.4368 13.4813 14.1884 14.2969 15.3968 15.4335 16.2350 16.3037 k = 0.5644 0.1028 0.3093 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3779 -88.3779 -88.3664 -88.3664 -88.3573 -88.3573 -88.3573 -88.3573 2.6824 2.6891 3.3894 3.3950 4.8654 4.8678 5.6744 5.6923 6.0433 6.2136 6.7286 6.9269 7.2162 7.2778 8.5131 8.6614 9.1379 9.1431 9.2817 9.2828 13.3678 13.4091 14.2300 14.3448 15.4315 15.4588 16.3144 16.3954 k = 0.5682 0.0919 0.3155 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3777 -88.3777 -88.3666 -88.3666 -88.3573 -88.3573 -88.3573 -88.3573 2.7291 2.7365 3.4060 3.4119 4.8232 4.8242 5.6737 5.6878 6.0340 6.1924 6.7173 6.9035 7.2248 7.2947 8.4552 8.6150 9.1441 9.1830 9.2467 9.2711 13.2946 13.3315 14.2746 14.3946 15.4582 15.4776 16.4099 16.5019 k = 0.5720 0.0809 0.3217 ( 3678 PWs) bands (ev): -89.8662 -89.8662 -88.3775 -88.3775 -88.3668 -88.3668 -88.3573 -88.3573 -88.3573 -88.3573 2.7779 2.7860 3.4234 3.4295 4.7783 4.7790 5.6708 5.6808 6.0274 6.1723 6.7078 6.8804 7.2340 7.3122 8.3976 8.5647 9.1243 9.1679 9.2670 9.2893 13.2181 13.2498 14.3218 14.4459 15.4797 15.4928 16.5175 16.6191 k = 0.5758 0.0700 0.3278 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3772 -88.3772 -88.3670 -88.3670 -88.3573 -88.3573 -88.3573 -88.3573 2.8286 2.8375 3.4415 3.4478 4.7304 4.7329 5.6646 5.6706 6.0240 6.1545 6.6999 6.8581 7.2440 7.3303 8.3409 8.5125 9.0880 9.1227 9.3171 9.3259 13.1389 13.1648 14.3711 14.4984 15.4985 15.5067 16.6334 16.7435 k = 0.5795 0.0590 0.3340 ( 3682 PWs) bands (ev): -89.8662 -89.8662 -88.3770 -88.3770 -88.3673 -88.3673 -88.3573 -88.3573 -88.3573 -88.3573 2.8811 2.8909 3.4602 3.4667 4.6808 4.6853 5.6544 5.6566 6.0243 6.1403 6.6936 6.8369 7.2545 7.3489 8.2856 8.4597 9.0450 9.0731 9.3700 9.3708 13.0579 13.0777 14.4222 14.5519 15.5164 15.5208 16.7544 16.8721 k = 0.5833 0.0481 0.3402 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3768 -88.3768 -88.3675 -88.3675 -88.3573 -88.3573 -88.3573 -88.3573 2.9351 2.9459 3.4795 3.4860 4.6296 4.6365 5.6390 5.6397 6.0284 6.1305 6.6888 6.8170 7.2656 7.3680 8.2318 8.4072 8.9990 9.0218 9.4169 9.4248 12.9759 12.9893 14.4748 14.6060 15.5347 15.5362 16.8778 17.0025 k = 0.5871 0.0372 0.3464 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3766 -88.3766 -88.3677 -88.3677 -88.3573 -88.3573 -88.3573 -88.3573 2.9904 3.0022 3.4992 3.5056 4.5774 4.5869 5.6179 5.6206 6.0361 6.1254 6.6853 6.7988 7.2772 7.3874 8.1798 8.3558 8.9512 8.9696 9.4645 9.4782 12.8935 12.9004 14.5286 14.6605 15.5533 15.5543 17.0012 17.1327 k = 0.5909 0.0262 0.3526 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3763 -88.3763 -88.3680 -88.3680 -88.3573 -88.3573 -88.3573 -88.3573 3.0466 3.0596 3.5191 3.5252 4.5245 4.5368 5.5940 5.5975 6.0469 6.1251 6.6831 6.7825 7.2891 7.4069 8.1298 8.3059 8.9022 8.9168 9.5116 9.5301 12.8113 12.8118 14.5834 14.7152 15.5725 15.5758 17.1221 17.2606 k = 0.5947 0.0153 0.3588 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3761 -88.3761 -88.3682 -88.3682 -88.3573 -88.3573 -88.3573 -88.3573 3.1033 3.1175 3.5389 3.5445 4.4716 4.4871 5.5682 5.5714 6.0602 6.1290 6.6821 6.7681 7.3011 7.4264 8.0822 8.2580 8.8526 8.8636 9.5573 9.5800 12.7242 12.7300 14.6389 14.7699 15.5940 15.5994 17.2385 17.3844 k = 0.5985 0.0044 0.3649 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3759 -88.3759 -88.3684 -88.3684 -88.3573 -88.3573 -88.3573 -88.3573 3.1599 3.1753 3.5584 3.5629 4.4195 4.4384 5.5414 5.5434 6.0754 6.1363 6.6823 6.7558 7.3130 7.4454 8.0371 8.2129 8.8024 8.8104 9.6010 9.6275 12.6384 12.6502 14.6950 14.8245 15.6179 15.6254 17.3477 17.5023 k = 0.6023-0.0066 0.3711 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3756 -88.3756 -88.3687 -88.3687 -88.3573 -88.3573 -88.3573 -88.3573 3.2157 3.2322 3.5770 3.5799 4.3693 4.3921 5.5143 5.5145 6.0919 6.1462 6.6837 6.7457 7.3244 7.4635 7.9952 8.1708 8.7520 8.7573 9.6419 9.6719 12.5548 12.5724 14.7514 14.8787 15.6442 15.6539 17.4472 17.6122 k = 0.6061-0.0175 0.3773 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3754 -88.3754 -88.3689 -88.3689 -88.3573 -88.3573 -88.3573 -88.3573 3.2696 3.2869 3.5943 3.5948 4.3225 4.3497 5.4860 5.4879 6.1091 6.1578 6.6861 6.7379 7.3350 7.4799 7.9569 8.1324 8.7015 8.7046 9.6795 9.7128 12.4742 12.4972 14.8080 14.9324 15.6728 15.6849 17.5340 17.7119 k = 0.6098-0.0284 0.3835 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3752 -88.3752 -88.3691 -88.3691 -88.3573 -88.3573 -88.3573 -88.3573 3.3198 3.3374 3.6073 3.6103 4.2812 4.3131 5.4589 5.4629 6.1264 6.1705 6.6897 6.7322 7.3443 7.4938 7.9232 8.0982 8.6514 8.6526 9.7133 9.7497 12.3971 12.4251 14.8645 14.9856 15.7037 15.7183 17.6055 17.7962 k = 0.6136-0.0394 0.3897 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3750 -88.3749 -88.3693 -88.3693 -88.3573 -88.3573 -88.3573 -88.3573 3.3634 3.3805 3.6178 3.6255 4.2476 4.2845 5.4341 5.4402 6.1434 6.1834 6.6942 6.7288 7.3519 7.5038 7.8951 8.0688 8.6017 8.6018 9.7427 9.7821 12.3241 12.3565 14.9208 15.0380 15.7366 15.7539 17.6607 17.8400 k = 0.6174-0.0503 0.3959 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3748 -88.3747 -88.3695 -88.3695 -88.3573 -88.3573 -88.3573 -88.3573 3.3958 3.4110 3.6288 3.6425 4.2242 4.2658 5.4124 5.4206 6.1597 6.1961 6.6995 6.7274 7.3574 7.5087 7.8738 8.0446 8.5524 8.5530 9.7673 9.8096 12.2557 12.2920 14.9767 15.0896 15.7715 15.7917 17.7018 17.8552 k = 0.6212-0.0612 0.4021 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3746 -88.3746 -88.3697 -88.3697 -88.3573 -88.3573 -88.3573 -88.3573 3.4105 3.4230 3.6450 3.6650 4.2127 4.2585 5.3948 5.4046 6.1749 6.2081 6.7054 6.7280 7.3606 7.5073 7.8603 8.0260 8.5051 8.5056 9.7867 9.8317 12.1922 12.2319 15.0321 15.1403 15.8082 15.8315 17.7329 17.8667 k = 0.6250-0.0722 0.4082 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3745 -88.3744 -88.3699 -88.3698 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.6250-0.0722 0.4082 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3745 -88.3744 -88.3699 -88.3698 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.6184-0.0684 0.4190 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4049 3.4151 3.6708 3.6958 4.2139 4.2626 5.3759 5.3875 6.1914 6.2226 6.7115 6.7321 7.3607 7.4986 7.8515 8.0092 8.4540 8.4668 9.8073 9.8545 12.1314 12.1748 15.0848 15.1901 15.8342 15.8736 17.7365 17.8636 k = 0.6118-0.0646 0.4297 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4096 3.4198 3.6726 3.6978 4.2142 4.2632 5.3579 5.3709 6.1997 6.2331 6.7119 6.7369 7.3589 7.4965 7.8420 7.9978 8.4484 8.4730 9.8272 9.8735 12.1231 12.1697 15.0786 15.1898 15.8048 15.8685 17.6962 17.8222 k = 0.6053-0.0608 0.4405 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4174 3.4276 3.6756 3.7012 4.2146 4.2641 5.3290 5.3440 6.2126 6.2493 6.7134 6.7439 7.3559 7.4931 7.8271 7.9794 8.4436 8.4787 9.8596 9.9044 12.1095 12.1611 15.0685 15.1890 15.7640 15.8538 17.6571 17.7770 k = 0.5987-0.0570 0.4512 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3743 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4282 3.4384 3.6798 3.7059 4.2151 4.2654 5.2905 5.3081 6.2294 6.2700 6.7163 6.7525 7.3520 7.4883 7.8077 7.9551 8.4399 8.4833 9.9035 9.9463 12.0908 12.1487 15.0550 15.1873 15.7146 15.8298 17.6249 17.7372 k = 0.5921-0.0532 0.4620 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3743 -88.3743 -88.3700 -88.3700 -88.3573 -88.3573 -88.3573 -88.3573 3.4421 3.4523 3.6852 3.7121 4.2158 4.2671 5.2438 5.2644 6.2491 6.2936 6.7208 6.7622 7.3474 7.4822 7.7852 7.9258 8.4369 8.4869 9.9575 9.9981 12.0672 12.1325 15.0385 15.1841 15.6588 15.7979 17.6011 17.7049 k = 0.5855-0.0494 0.4727 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3742 -88.3742 -88.3701 -88.3701 -88.3573 -88.3573 -88.3573 -88.3573 3.4589 3.4690 3.6920 3.7196 4.2164 4.2690 5.1904 5.2142 6.2706 6.3188 6.7268 6.7724 7.3424 7.4750 7.7608 7.8927 8.4346 8.4893 10.0203 10.0585 12.0390 12.1123 15.0193 15.1787 15.5993 15.7599 17.5854 17.6801 k = 0.5789-0.0456 0.4835 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3742 -88.3742 -88.3701 -88.3701 -88.3573 -88.3573 -88.3573 -88.3573 3.4785 3.4886 3.7000 3.7287 4.2170 4.2712 5.1313 5.1587 6.2932 6.3446 6.7343 6.7826 7.3374 7.4669 7.7357 7.8571 8.4327 8.4907 10.0904 10.1260 12.0064 12.0883 14.9978 15.1701 15.5391 15.7179 17.5769 17.6621 k = 0.5724-0.0418 0.4942 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3741 -88.3741 -88.3702 -88.3702 -88.3573 -88.3573 -88.3573 -88.3573 3.5007 3.5107 3.7094 3.7394 4.2175 4.2735 5.0678 5.0989 6.3164 6.3698 6.7429 6.7923 7.3328 7.4584 7.7108 7.8198 8.4310 8.4910 10.1664 10.1992 11.9696 12.0605 14.9744 15.1567 15.4815 15.6738 17.5745 17.6501 k = 0.5658-0.0380 0.5049 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3740 -88.3740 -88.3703 -88.3703 -88.3573 -88.3573 -88.3573 -88.3573 3.5253 3.5352 3.7202 3.7518 4.2175 4.2759 5.0007 5.0359 6.3396 6.3939 6.7522 6.8009 7.3290 7.4500 7.6867 7.7817 8.4294 8.4905 10.2468 10.2769 11.9288 12.0291 14.9496 15.1368 15.4303 15.6292 17.5769 17.6430 k = 0.5592-0.0342 0.5157 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3739 -88.3739 -88.3704 -88.3704 -88.3573 -88.3573 -88.3573 -88.3573 3.5520 3.5617 3.7327 3.7660 4.2170 4.2781 4.9311 4.9706 6.3625 6.4163 6.7619 6.8082 7.3266 7.4426 7.6640 7.7434 8.4278 8.4893 10.3302 10.3574 11.8844 11.9945 14.9240 15.1088 15.3887 15.5857 17.5830 17.6398 k = 0.5526-0.0304 0.5264 ( 3710 PWs) bands (ev): -89.8662 -89.8662 -88.3738 -88.3737 -88.3705 -88.3705 -88.3573 -88.3573 -88.3573 -88.3573 3.5804 3.5898 3.7469 3.7824 4.2155 4.2798 4.8599 4.9043 6.3847 6.4365 6.7712 6.8137 7.3259 7.4368 7.6426 7.7057 8.4262 8.4876 10.4150 10.4396 11.8369 11.9570 14.8981 15.0729 15.3580 15.5444 17.5916 17.6397 k = 0.5461-0.0266 0.5372 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3736 -88.3736 -88.3707 -88.3707 -88.3573 -88.3573 -88.3573 -88.3573 3.6098 3.6189 3.7633 3.8011 4.2126 4.2805 4.7884 4.8382 6.4060 6.4543 6.7795 6.8176 7.3275 7.4335 7.6225 7.6690 8.4244 8.4855 10.4994 10.5220 11.7868 11.9174 14.8725 15.0316 15.3373 15.5063 17.6017 17.6418 k = 0.5395-0.0228 0.5479 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3735 -88.3735 -88.3708 -88.3708 -88.3573 -88.3573 -88.3573 -88.3573 3.6394 3.6485 3.7819 3.8223 4.2075 4.2792 4.7182 4.7739 6.4261 6.4695 6.7861 6.8201 7.3318 7.4330 7.6030 7.6342 8.4226 8.4831 10.5814 10.6034 11.7350 11.8765 14.8480 14.9887 15.3242 15.4720 17.6123 17.6453 k = 0.5329-0.0190 0.5587 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3734 -88.3734 -88.3709 -88.3709 -88.3573 -88.3573 -88.3573 -88.3573 3.6683 3.6776 3.8033 3.8461 4.1996 4.2745 4.6516 4.7135 6.4447 6.4819 6.7901 6.8219 7.3390 7.4356 7.5819 7.6036 8.4208 8.4806 10.6585 10.6824 11.6826 11.8356 14.8250 14.9477 15.3162 15.4422 17.6225 17.6496 k = 0.5263-0.0152 0.5694 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3732 -88.3732 -88.3711 -88.3711 -88.3573 -88.3573 -88.3573 -88.3573 3.6955 3.7053 3.8274 3.8720 4.1879 4.2641 4.5920 4.6595 6.4613 6.4915 6.7915 6.8236 7.3494 7.4410 7.5554 7.5814 8.4191 8.4781 10.7279 10.7567 11.6315 11.7966 14.8043 14.9114 15.3115 15.4172 17.6316 17.6542 k = 0.5197-0.0114 0.5801 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3731 -88.3731 -88.3712 -88.3712 -88.3573 -88.3573 -88.3573 -88.3573 3.7202 3.7306 3.8534 3.8983 4.1729 4.2454 4.5437 4.6147 6.4756 6.4981 6.7907 6.8253 7.3627 7.4484 7.5263 7.5654 8.4175 8.4759 10.7869 10.8231 11.5843 11.7617 14.7865 14.8819 15.3089 15.3975 17.6391 17.6585 k = 0.5132-0.0076 0.5909 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 3.7414 3.7523 3.8792 3.9212 4.1571 4.2180 4.5102 4.5817 6.4871 6.5019 6.7890 6.8267 7.3782 7.4565 7.4985 7.5531 8.4162 8.4741 10.8324 10.8769 11.5449 11.7336 14.7725 14.8605 15.3073 15.3835 17.6445 17.6621 k = 0.5066-0.0038 0.6016 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7575 3.7687 3.9000 3.9352 4.1474 4.1875 4.4918 4.5620 6.4954 6.5028 6.7873 6.8278 7.3938 7.4625 7.4763 7.5444 8.4153 8.4729 10.8613 10.9126 11.5181 11.7154 14.7632 14.8477 15.3062 15.3753 17.6477 17.6646 k = 0.5000 0.0000 0.6124 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7645 3.7757 3.9080 3.9384 4.1471 4.1708 4.4863 4.5556 6.4995 6.5017 6.7867 6.8282 7.4019 7.4600 7.4709 7.5412 8.4149 8.4724 10.8712 10.9251 11.5087 11.7091 14.7598 14.8435 15.3057 15.3727 17.6488 17.6655 k = 0.5000 0.0000 0.6124 ( 3704 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.7645 3.7757 3.9080 3.9384 4.1471 4.1708 4.4863 4.5556 6.4995 6.5017 6.7867 6.8282 7.4019 7.4600 7.4709 7.5412 8.4149 8.4724 10.8712 10.9251 11.5087 11.7091 14.7598 14.8435 15.3057 15.3727 17.6488 17.6655 k = 0.5000 0.0078 0.6013 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 3.7591 3.7708 3.8949 3.9317 4.1384 4.1892 4.4971 4.5681 6.4925 6.5024 6.7878 6.8273 7.3866 7.4660 7.4803 7.5486 8.4169 8.4743 10.8586 10.9070 11.5276 11.7226 14.7576 14.8421 15.3037 15.3754 17.6468 17.6639 k = 0.5000 0.0156 0.5903 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3731 -88.3731 -88.3712 -88.3712 -88.3573 -88.3573 -88.3573 -88.3573 3.7428 3.7562 3.8660 3.9048 4.1412 4.2156 4.5288 4.6023 6.4788 6.4975 6.7909 6.8250 7.3613 7.4561 7.5187 7.5673 8.4229 8.4797 10.8227 10.8585 11.5787 11.7609 14.7508 14.8378 15.2986 15.3826 17.6406 17.6591 k = 0.5000 0.0234 0.5793 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3734 -88.3733 -88.3709 -88.3709 -88.3573 -88.3573 -88.3573 -88.3573 3.7141 3.7321 3.8323 3.8614 4.1601 4.2410 4.5782 4.6523 6.4600 6.4864 6.7951 6.8219 7.3373 7.4445 7.5638 7.5936 8.4328 8.4887 10.7688 10.7905 11.6511 11.8189 14.7396 14.8306 15.2918 15.3930 17.6301 17.6515 k = 0.5000 0.0312 0.5682 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3736 -88.3736 -88.3707 -88.3707 -88.3573 -88.3573 -88.3573 -88.3573 3.6727 3.6975 3.7990 3.8133 4.1886 4.2667 4.6401 4.7127 6.4373 6.4698 6.7986 6.8194 7.3161 7.4329 7.6113 7.6275 8.4465 8.5011 10.7018 10.7120 11.7361 11.8912 14.7241 14.8205 15.2845 15.4054 17.6153 17.6411 k = 0.5000 0.0390 0.5572 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3739 -88.3739 -88.3704 -88.3704 -88.3573 -88.3573 -88.3573 -88.3573 3.6208 3.6506 3.7666 3.7704 4.2221 4.2945 4.7096 4.7800 6.4117 6.4483 6.7982 6.8204 7.2977 7.4217 7.6537 7.6747 8.4639 8.5168 10.6233 10.6308 11.8287 11.9733 14.7044 14.8073 15.2775 15.4192 17.5963 17.6278 k = 0.5000 0.0468 0.5462 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3742 -88.3742 -88.3701 -88.3701 -88.3573 -88.3573 -88.3573 -88.3573 3.5617 3.5925 3.7317 3.7388 4.2588 4.3249 4.7836 4.8514 6.3838 6.4231 6.7937 6.8253 7.2818 7.4110 7.6943 7.7311 8.4847 8.5356 10.5362 10.5500 11.9261 12.0624 14.6807 14.7912 15.2713 15.4340 17.5731 17.6112 k = 0.5000 0.0546 0.5351 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4984 3.5275 3.6999 3.7099 4.2974 4.3578 4.8596 4.9254 6.3546 6.3952 6.7872 6.8318 7.2678 7.4007 7.7375 7.7914 8.5089 8.5571 10.4469 10.4670 12.0264 12.1562 14.6534 14.7721 15.2660 15.4497 17.5458 17.5907 k = 0.5000 0.0624 0.5241 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3747 -88.3747 -88.3696 -88.3696 -88.3573 -88.3573 -88.3573 -88.3573 3.4328 3.4593 3.6707 3.6818 4.3375 4.3929 4.9363 5.0007 6.3246 6.3656 6.7799 6.8390 7.2555 7.3907 7.7837 7.8544 8.5361 8.5813 10.3570 10.3825 12.1286 12.2534 14.6227 14.7500 15.2619 15.4659 17.5139 17.5651 k = 0.5000 0.0702 0.5131 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3750 -88.3750 -88.3693 -88.3693 -88.3573 -88.3573 -88.3573 -88.3573 3.3662 3.3899 3.6431 3.6544 4.3787 4.4300 5.0126 5.0760 6.2943 6.3354 6.7723 6.8465 7.2445 7.3808 7.8328 7.9195 8.5660 8.6078 10.2676 10.2975 12.2321 12.3529 14.5890 14.7251 15.2590 15.4827 17.4767 17.5327 k = 0.5000 0.0780 0.5020 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3753 -88.3753 -88.3690 -88.3690 -88.3573 -88.3573 -88.3573 -88.3573 3.2994 3.3205 3.6166 3.6276 4.4208 4.4686 5.0873 5.1507 6.2638 6.3059 6.7649 6.8543 7.2345 7.3711 7.8845 7.9863 8.5983 8.6363 10.1790 10.2128 12.3362 12.4539 14.5526 14.6976 15.2575 15.4997 17.4330 17.4908 k = 0.5000 0.0858 0.4910 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3756 -88.3756 -88.3687 -88.3687 -88.3573 -88.3573 -88.3573 -88.3573 3.2331 3.2519 3.5910 3.6015 4.4635 4.5085 5.1598 5.2238 6.2333 6.2782 6.7577 6.8624 7.2254 7.3614 7.9386 8.0545 8.6325 8.6667 10.0919 10.1289 12.4406 12.5556 14.5139 14.6678 15.2571 15.5169 17.3803 17.4364 k = 0.5000 0.0936 0.4800 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3758 -88.3758 -88.3685 -88.3685 -88.3573 -88.3573 -88.3573 -88.3573 3.1677 3.1844 3.5662 3.5762 4.5066 4.5493 5.2292 5.2946 6.2032 6.2533 6.7511 6.8712 7.2170 7.3517 7.9949 8.1238 8.6681 8.6986 10.0066 10.0466 12.5449 12.6574 14.4733 14.6358 15.2580 15.5341 17.3151 17.3669 k = 0.5000 0.1014 0.4689 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3761 -88.3761 -88.3682 -88.3682 -88.3573 -88.3573 -88.3573 -88.3573 3.1036 3.1185 3.5422 3.5516 4.5501 4.5909 5.2946 5.3623 6.1737 6.2323 6.7452 6.8806 7.2093 7.3420 8.0530 8.1938 8.7042 8.7319 9.9236 9.9665 12.6488 12.7588 14.4312 14.6021 15.2599 15.5510 17.2324 17.2827 k = 0.5000 0.1092 0.4579 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3764 -88.3764 -88.3679 -88.3679 -88.3573 -88.3573 -88.3573 -88.3573 3.0410 3.0543 3.5190 3.5279 4.5937 4.6329 5.3552 5.4262 6.1456 6.2157 6.7403 6.8908 7.2021 7.3322 8.1128 8.2644 8.7400 8.7665 9.8433 9.8892 12.7518 12.8591 14.3880 14.5669 15.2628 15.5672 17.1291 17.1863 k = 0.5000 0.1170 0.4469 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3766 -88.3766 -88.3677 -88.3677 -88.3573 -88.3573 -88.3573 -88.3573 2.9802 2.9921 3.4967 3.5050 4.6373 4.6751 5.4101 5.4853 6.1196 6.2040 6.7365 6.9020 7.1954 7.3223 8.1742 8.3350 8.7742 8.8022 9.7662 9.8157 12.8538 12.9578 14.3441 14.5306 15.2665 15.5825 17.0082 17.0787 k = 0.5000 0.1248 0.4358 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3769 -88.3769 -88.3674 -88.3674 -88.3573 -88.3573 -88.3573 -88.3573 2.9213 2.9320 3.4752 3.4830 4.6807 4.7173 5.4588 5.5388 6.0965 6.1978 6.7341 6.9143 7.1891 7.3124 8.2368 8.4053 8.8059 8.8385 9.6933 9.7470 12.9542 13.0540 14.2998 14.4936 15.2707 15.5962 16.8765 16.9605 k = 0.5000 0.1326 0.4248 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3771 -88.3771 -88.3672 -88.3672 -88.3573 -88.3573 -88.3573 -88.3573 2.8644 2.8740 3.4546 3.4620 4.7237 4.7592 5.5007 5.5858 6.0772 6.1971 6.7333 6.9276 7.1832 7.3023 8.3006 8.4748 8.8340 8.8745 9.6253 9.6843 13.0525 13.1471 14.2556 14.4562 15.2750 15.6075 16.7404 16.8348 k = 0.5000 0.1404 0.4138 ( 3674 PWs) bands (ev): -89.8662 -89.8662 -88.3773 -88.3773 -88.3670 -88.3670 -88.3573 -88.3573 -88.3573 -88.3573 2.8097 2.8184 3.4349 3.4418 4.7661 4.8005 5.5356 5.6255 6.0627 6.2018 6.7344 6.9420 7.1776 7.2922 8.3651 8.5429 8.8574 8.9088 9.5638 9.6291 13.1484 13.2364 14.2118 14.4188 15.2787 15.6152 16.6052 16.7059 k = 0.5000 0.1482 0.4027 ( 3674 PWs) bands (ev): -89.8662 -89.8662 -88.3775 -88.3775 -88.3667 -88.3667 -88.3573 -88.3573 -88.3573 -88.3573 2.7574 2.7652 3.4162 3.4226 4.8076 4.8409 5.5638 5.6573 6.0537 6.2113 6.7376 6.9573 7.1724 7.2818 8.4301 8.6083 8.8750 8.9399 9.5106 9.5831 13.2411 13.3209 14.1689 14.3817 15.2806 15.6170 16.4761 16.5786 k = 0.5000 0.1560 0.3917 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3778 -88.3778 -88.3665 -88.3665 -88.3573 -88.3573 -88.3573 -88.3573 2.7074 2.7145 3.3984 3.4044 4.8481 4.8801 5.5861 5.6809 6.0505 6.2245 6.7432 6.9734 7.1674 7.2714 8.4950 8.6695 8.8854 8.9667 9.4682 9.5481 13.3299 13.3999 14.1272 14.3453 15.2790 15.6099 16.3585 16.4581 k = 0.5000 0.1638 0.3807 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3780 -88.3780 -88.3663 -88.3663 -88.3573 -88.3573 -88.3573 -88.3573 2.6600 2.6664 3.3815 3.3871 4.8871 4.9177 5.6035 5.6971 6.0531 6.2400 6.7512 6.9900 7.1626 7.2608 8.5588 8.7235 8.8882 8.9888 9.4393 9.5252 13.4136 13.4728 14.0873 14.3099 15.2714 15.5892 16.2582 16.3505 k = 0.5000 0.1716 0.3696 ( 3682 PWs) bands (ev): -89.8662 -89.8662 -88.3781 -88.3781 -88.3661 -88.3661 -88.3573 -88.3573 -88.3573 -88.3573 2.6151 2.6208 3.3656 3.3708 4.9246 4.9533 5.6173 5.7071 6.0604 6.2566 6.7617 7.0069 7.1580 7.2501 8.6198 8.7656 8.8848 9.0090 9.4258 9.5145 13.4906 13.5393 14.0496 14.2761 15.2546 15.5500 16.1809 16.2622 k = 0.5000 0.1794 0.3586 ( 3684 PWs) bands (ev): -89.8662 -89.8662 -88.3783 -88.3783 -88.3660 -88.3660 -88.3573 -88.3573 -88.3573 -88.3573 2.5728 2.5780 3.3507 3.3556 4.9600 4.9866 5.6287 5.7126 6.0713 6.2731 6.7746 7.0236 7.1535 7.2392 8.6736 8.7901 8.8795 9.0328 9.4277 9.5152 13.5582 13.5999 14.0151 14.2440 15.2255 15.4902 16.1288 16.1998 k = 0.5000 0.1872 0.3476 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3785 -88.3785 -88.3658 -88.3658 -88.3573 -88.3573 -88.3573 -88.3573 2.5333 2.5379 3.3368 3.3413 4.9932 5.0173 5.6386 5.7155 6.0845 6.2883 6.7897 7.0396 7.1493 7.2283 8.7109 8.7944 8.8831 9.0651 9.4426 9.5253 13.6132 13.6557 13.9849 14.2142 15.1826 15.4122 16.1003 16.1671 k = 0.5000 0.1951 0.3365 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3787 -88.3787 -88.3656 -88.3656 -88.3573 -88.3573 -88.3573 -88.3573 2.4964 2.5006 3.3239 3.3280 5.0238 5.0451 5.6479 5.7173 6.0990 6.3017 6.8067 7.0546 7.1452 7.2173 8.7208 8.7812 8.9089 9.1049 9.4673 9.5426 13.6542 13.7045 13.9613 14.1868 15.1273 15.3222 16.0933 16.1614 k = 0.5000 0.2029 0.3255 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3788 -88.3788 -88.3655 -88.3655 -88.3573 -88.3573 -88.3573 -88.3573 2.4624 2.4661 3.3121 3.3158 5.0515 5.0698 5.6571 5.7193 6.1140 6.3128 6.8250 7.0679 7.1414 7.2065 8.7082 8.7566 8.9542 9.1481 9.4987 9.5649 13.6827 13.7405 13.9482 14.1620 15.0631 15.2265 16.1064 16.1761 k = 0.5000 0.2107 0.3145 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3789 -88.3789 -88.3654 -88.3654 -88.3573 -88.3573 -88.3573 -88.3573 2.4312 2.4345 3.3012 3.3046 5.0762 5.0912 5.6665 5.7221 6.1293 6.3215 6.8443 7.0788 7.1383 7.1958 8.6850 8.7264 9.0078 9.1913 9.5343 9.5905 13.7005 13.7582 13.9490 14.1396 14.9950 15.1305 16.1369 16.2054 k = 0.5000 0.2185 0.3034 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3791 -88.3791 -88.3652 -88.3652 -88.3573 -88.3573 -88.3573 -88.3573 2.4029 2.4058 3.2914 3.2944 5.0977 5.1096 5.6763 5.7262 6.1446 6.3277 6.8640 7.0865 7.1363 7.1857 8.6582 8.6943 9.0632 9.2322 9.5719 9.6178 13.7092 13.7584 13.9622 14.1194 14.9274 15.0383 16.1809 16.2456 k = 0.5000 0.2263 0.2924 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3792 -88.3792 -88.3651 -88.3651 -88.3573 -88.3573 -88.3573 -88.3573 2.3775 2.3800 3.2826 3.2853 5.1160 5.1249 5.6864 5.7314 6.1599 6.3315 6.8837 7.0899 7.1360 7.1762 8.6311 8.6626 9.1173 9.2697 9.6101 9.6458 13.7104 13.7476 13.9804 14.1008 14.8638 14.9529 16.2347 16.2940 k = 0.5000 0.2341 0.2814 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3793 -88.3793 -88.3650 -88.3650 -88.3573 -88.3573 -88.3573 -88.3573 2.3550 2.3572 3.2748 3.2772 5.1312 5.1375 5.6967 5.7375 6.1753 6.3329 6.9031 7.0888 7.1376 7.1678 8.6054 8.6326 9.1686 9.3027 9.6472 9.6735 13.7060 13.7319 13.9976 14.0836 14.8065 14.8765 16.2945 16.3484 k = 0.5000 0.2419 0.2703 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3355 2.3373 3.2681 3.2702 5.1435 5.1476 5.7071 5.7438 6.1909 6.3320 6.9218 7.0839 7.1400 7.1607 8.5822 8.6053 9.2158 9.3309 9.6820 9.7000 13.6980 13.7148 14.0104 14.0674 14.7571 14.8109 16.3571 16.4064 k = 0.5000 0.2497 0.2593 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3190 2.3205 3.2625 3.2642 5.1531 5.1556 5.7174 5.7497 6.2066 6.3288 6.9397 7.0762 7.1424 7.1551 8.5621 8.5813 9.2582 9.3538 9.7133 9.7245 13.6880 13.6980 14.0180 14.0526 14.7161 14.7566 16.4195 16.4650 k = 0.5000 0.2575 0.2483 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.3055 2.3067 3.2579 3.2592 5.1604 5.1617 5.7273 5.7546 6.2224 6.3234 6.9568 7.0666 7.1442 7.1510 8.5457 8.5609 9.2952 9.3713 9.7402 9.7462 13.6776 13.6829 14.0207 14.0397 14.6837 14.7137 16.4792 16.5205 k = 0.5000 0.2653 0.2372 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.2950 2.2959 3.2544 3.2554 5.1657 5.1662 5.7364 5.7578 6.2382 6.3159 6.9730 7.0555 7.1454 7.1483 8.5330 8.5445 9.3263 9.3831 9.7617 9.7644 13.6680 13.6703 14.0197 14.0293 14.6600 14.6814 16.5331 16.5684 k = 0.5000 0.2731 0.2262 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2875 2.2881 3.2519 3.2525 5.1692 5.1693 5.7444 5.7592 6.2537 6.3065 6.9884 7.0435 7.1458 7.1467 8.5244 8.5321 9.3513 9.3889 9.7773 9.7781 13.6602 13.6609 14.0170 14.0217 14.6445 14.6584 16.5779 16.6043 k = 0.5000 0.2809 0.2152 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2831 2.2834 3.2504 3.2508 5.1712 5.1712 5.7509 5.7585 6.2686 6.2953 7.0031 7.0306 7.1459 7.1460 8.5200 8.5238 9.3701 9.3888 9.7867 9.7868 13.6550 13.6551 14.0147 14.0169 14.6368 14.6437 16.6101 16.6243 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2817 2.2817 3.2501 3.2501 5.1718 5.1718 5.7557 5.7557 6.2825 6.2825 7.0172 7.0172 7.1459 7.1459 8.5198 8.5198 9.3826 9.3826 9.7898 9.7898 13.6532 13.6532 14.0145 14.0145 14.6366 14.6366 16.6262 16.6262 k = 0.5000 0.2887 0.2041 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2817 2.2817 3.2501 3.2501 5.1718 5.1718 5.7557 5.7557 6.2825 6.2825 7.0172 7.0172 7.1459 7.1459 8.5198 8.5198 9.3826 9.3826 9.7898 9.7898 13.6532 13.6532 14.0145 14.0145 14.6366 14.6366 16.6262 16.6262 k = 0.4962 0.2865 0.2165 ( 3708 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2830 2.2833 3.2504 3.2507 5.1712 5.1712 5.7511 5.7585 6.2690 6.2949 7.0035 7.0302 7.1459 7.1460 8.5200 8.5236 9.3705 9.3887 9.7869 9.7870 13.6550 13.6550 14.0147 14.0168 14.6367 14.6434 16.6108 16.6246 k = 0.4924 0.2843 0.2289 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3796 -88.3796 -88.3647 -88.3647 -88.3573 -88.3573 -88.3573 -88.3573 2.2872 2.2877 3.2518 3.2524 5.1694 5.1694 5.7448 5.7592 6.2546 6.3059 6.9893 7.0427 7.1460 7.1465 8.5241 8.5315 9.3526 9.3891 9.7782 9.7786 13.6600 13.6603 14.0171 14.0211 14.6439 14.6573 16.5802 16.6059 k = 0.4886 0.2821 0.2412 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.2942 2.2951 3.2541 3.2551 5.1662 5.1664 5.7372 5.7580 6.2396 6.3152 6.9744 7.0545 7.1461 7.1475 8.5321 8.5432 9.3287 9.3838 9.7638 9.7652 13.6679 13.6687 14.0212 14.0269 14.6585 14.6788 16.5376 16.5719 k = 0.4848 0.2799 0.2536 ( 3701 PWs) bands (ev): -89.8662 -89.8662 -88.3795 -88.3795 -88.3648 -88.3648 -88.3573 -88.3573 -88.3573 -88.3573 2.3041 2.3053 3.2574 3.2587 5.1616 5.1619 5.7285 5.7549 6.2243 6.3226 6.9587 7.0652 7.1462 7.1490 8.5440 8.5588 9.2992 9.3729 9.7440 9.7473 13.6780 13.6795 14.0263 14.0330 14.6814 14.7086 16.4864 16.5259 k = 0.4811 0.2777 0.2660 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3168 2.3183 3.2618 3.2634 5.1551 5.1558 5.7192 5.7502 6.2090 6.3281 6.9423 7.0742 7.1466 7.1513 8.5596 8.5780 9.2643 9.3567 9.7196 9.7254 13.6898 13.6917 14.0318 14.0384 14.7131 14.7473 16.4302 16.4717 k = 0.4773 0.2756 0.2784 ( 3699 PWs) bands (ev): -89.8662 -89.8662 -88.3794 -88.3794 -88.3649 -88.3649 -88.3573 -88.3573 -88.3573 -88.3573 2.3324 2.3342 3.2671 3.2691 5.1467 5.1477 5.7098 5.7442 6.1938 6.3315 6.9250 7.0806 7.1481 7.1541 8.5786 8.6007 9.2245 9.3352 9.6910 9.7001 13.7021 13.7037 14.0376 14.0421 14.7541 14.7953 16.3721 16.4129 k = 0.4735 0.2734 0.2907 ( 3695 PWs) bands (ev): -89.8662 -89.8662 -88.3793 -88.3793 -88.3650 -88.3650 -88.3573 -88.3573 -88.3573 -88.3573 2.3508 2.3529 3.2734 3.2757 5.1359 5.1375 5.7006 5.7373 6.1789 6.3326 6.9069 7.0830 7.1517 7.1575 8.6008 8.6263 9.1807 9.3090 9.6592 9.6718 13.7134 13.7139 14.0438 14.0442 14.8045 14.8525 16.3146 16.3533 k = 0.4697 0.2712 0.3031 ( 3691 PWs) bands (ev): -89.8662 -89.8662 -88.3792 -88.3792 -88.3651 -88.3651 -88.3573 -88.3573 -88.3573 -88.3573 2.3720 2.3744 3.2807 3.2833 5.1225 5.1247 5.6923 5.7300 6.1643 6.3316 6.8881 7.0809 7.1580 7.1615 8.6255 8.6541 9.1340 9.2785 9.6247 9.6409 13.7185 13.7234 14.0439 14.0526 14.8636 14.9179 16.2602 16.2959 k = 0.4659 0.2690 0.3155 ( 3689 PWs) bands (ev): -89.8662 -89.8662 -88.3791 -88.3791 -88.3652 -88.3652 -88.3573 -88.3573 -88.3573 -88.3573 2.3960 2.3988 3.2890 3.2919 5.1063 5.1091 5.6851 5.7228 6.1499 6.3282 6.8686 7.0743 7.1659 7.1669 8.6522 8.6827 9.0864 9.2447 9.5883 9.6077 13.7162 13.7284 14.0439 14.0648 14.9305 14.9902 16.2113 16.2440 k = 0.4621 0.2668 0.3278 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3790 -88.3790 -88.3653 -88.3653 -88.3573 -88.3573 -88.3573 -88.3573 2.4227 2.4258 3.2982 3.3015 5.0869 5.0905 5.6793 5.7161 6.1357 6.3223 6.8489 7.0638 7.1707 7.1775 8.6796 8.7095 9.0409 9.2088 9.5505 9.5724 13.7046 13.7260 14.0463 14.0823 15.0032 15.0671 16.1702 16.2006 k = 0.4583 0.2646 0.3402 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3788 -88.3788 -88.3654 -88.3654 -88.3573 -88.3573 -88.3573 -88.3573 2.4521 2.4556 3.3085 3.3121 5.0644 5.0685 5.6751 5.7103 6.1216 6.3140 6.8291 7.0501 7.1759 7.1895 8.7059 8.7292 9.0034 9.1730 9.5116 9.5353 13.6826 13.7133 14.0537 14.1057 15.0793 15.1455 16.1393 16.1689 k = 0.4545 0.2624 0.3526 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3787 -88.3787 -88.3656 -88.3656 -88.3573 -88.3573 -88.3573 -88.3573 2.4841 2.4881 3.3196 3.3236 5.0387 5.0432 5.6725 5.7056 6.1077 6.3030 6.8096 7.0338 7.1815 7.2025 8.7282 8.7329 8.9830 9.1404 9.4720 9.4963 13.6502 13.6888 14.0678 14.1351 15.1558 15.2217 16.1214 16.1528 k = 0.4508 0.2602 0.3649 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3786 -88.3786 -88.3657 -88.3657 -88.3573 -88.3573 -88.3573 -88.3573 2.5188 2.5233 3.3318 3.3361 5.0098 5.0144 5.6715 5.7021 6.0938 6.2894 6.7908 7.0152 7.1875 7.2163 8.7138 8.7426 8.9870 9.1152 9.4319 9.4557 13.6084 13.6521 14.0892 14.1697 15.2291 15.2916 16.1195 16.1560 k = 0.4470 0.2581 0.3773 ( 3681 PWs) bands (ev): -89.8662 -89.8662 -88.3784 -88.3784 -88.3659 -88.3659 -88.3573 -88.3573 -88.3573 -88.3573 2.5561 2.5610 3.3448 3.3494 4.9778 4.9824 5.6716 5.6994 6.0802 6.2733 6.7730 6.9948 7.1939 7.2307 8.6751 8.7441 9.0122 9.1024 9.3916 9.4136 13.5581 13.6043 14.1171 14.2088 15.2954 15.3512 16.1367 16.1816 k = 0.4432 0.2559 0.3897 ( 3683 PWs) bands (ev): -89.8662 -89.8662 -88.3782 -88.3782 -88.3661 -88.3661 -88.3573 -88.3573 -88.3573 -88.3573 2.5958 2.6013 3.3588 3.3638 4.9430 4.9471 5.6726 5.6973 6.0670 6.2549 6.7565 6.9730 7.2008 7.2458 8.6254 8.7299 9.0504 9.1046 9.3518 9.3702 13.5005 13.5468 14.1505 14.2514 15.3517 15.3984 16.1751 16.2313 k = 0.4394 0.2537 0.4021 ( 3687 PWs) bands (ev): -89.8662 -89.8662 -88.3781 -88.3780 -88.3662 -88.3662 -88.3573 -88.3573 -88.3573 -88.3573 2.6379 2.6440 3.3737 3.3789 4.9054 4.9088 5.6737 5.6952 6.0545 6.2348 6.7417 6.9502 7.2082 7.2614 8.5704 8.7010 9.0954 9.1193 9.3140 9.3258 13.4368 13.4813 14.1884 14.2969 15.3968 15.4335 16.2350 16.3037 k = 0.4356 0.2515 0.4144 ( 3685 PWs) bands (ev): -89.8662 -89.8662 -88.3779 -88.3779 -88.3664 -88.3664 -88.3573 -88.3573 -88.3573 -88.3573 2.6824 2.6891 3.3894 3.3950 4.8654 4.8678 5.6744 5.6923 6.0433 6.2136 6.7286 6.9269 7.2162 7.2778 8.5131 8.6614 9.1379 9.1431 9.2816 9.2828 13.3678 13.4091 14.2300 14.3448 15.4315 15.4588 16.3144 16.3954 k = 0.4318 0.2493 0.4268 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3777 -88.3777 -88.3666 -88.3666 -88.3573 -88.3573 -88.3573 -88.3573 2.7291 2.7365 3.4060 3.4119 4.8232 4.8242 5.6737 5.6878 6.0340 6.1924 6.7173 6.9035 7.2248 7.2947 8.4552 8.6150 9.1441 9.1830 9.2467 9.2711 13.2946 13.3315 14.2746 14.3946 15.4582 15.4776 16.4099 16.5019 k = 0.4280 0.2471 0.4392 ( 3678 PWs) bands (ev): -89.8662 -89.8662 -88.3775 -88.3774 -88.3668 -88.3668 -88.3573 -88.3573 -88.3573 -88.3573 2.7779 2.7860 3.4234 3.4295 4.7783 4.7790 5.6708 5.6808 6.0274 6.1723 6.7078 6.8804 7.2340 7.3122 8.3976 8.5647 9.1243 9.1679 9.2670 9.2893 13.2181 13.2498 14.3218 14.4459 15.4797 15.4928 16.5175 16.6191 k = 0.4242 0.2449 0.4515 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3772 -88.3772 -88.3671 -88.3671 -88.3573 -88.3573 -88.3573 -88.3573 2.8286 2.8375 3.4415 3.4478 4.7304 4.7329 5.6646 5.6706 6.0240 6.1545 6.6999 6.8581 7.2440 7.3303 8.3409 8.5125 9.0880 9.1227 9.3171 9.3260 13.1389 13.1648 14.3711 14.4984 15.4985 15.5067 16.6334 16.7435 k = 0.4205 0.2427 0.4639 ( 3682 PWs) bands (ev): -89.8662 -89.8662 -88.3770 -88.3770 -88.3673 -88.3673 -88.3573 -88.3573 -88.3573 -88.3573 2.8811 2.8909 3.4602 3.4667 4.6808 4.6853 5.6544 5.6566 6.0243 6.1403 6.6936 6.8369 7.2545 7.3489 8.2856 8.4597 9.0450 9.0730 9.3700 9.3708 13.0579 13.0777 14.4222 14.5519 15.5164 15.5208 16.7544 16.8721 k = 0.4167 0.2406 0.4763 ( 3680 PWs) bands (ev): -89.8662 -89.8662 -88.3768 -88.3768 -88.3675 -88.3675 -88.3573 -88.3573 -88.3573 -88.3573 2.9351 2.9459 3.4795 3.4860 4.6296 4.6365 5.6390 5.6397 6.0284 6.1305 6.6888 6.8170 7.2656 7.3680 8.2318 8.4073 8.9990 9.0218 9.4169 9.4248 12.9759 12.9893 14.4748 14.6060 15.5347 15.5362 16.8778 17.0025 k = 0.4129 0.2384 0.4887 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3766 -88.3766 -88.3677 -88.3677 -88.3573 -88.3573 -88.3573 -88.3573 2.9904 3.0022 3.4992 3.5056 4.5774 4.5869 5.6179 5.6206 6.0361 6.1254 6.6853 6.7988 7.2772 7.3874 8.1798 8.3558 8.9512 8.9696 9.4645 9.4782 12.8935 12.9004 14.5286 14.6605 15.5533 15.5543 17.0012 17.1327 k = 0.4091 0.2362 0.5010 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3763 -88.3763 -88.3680 -88.3680 -88.3573 -88.3573 -88.3573 -88.3573 3.0466 3.0596 3.5191 3.5252 4.5245 4.5368 5.5940 5.5975 6.0469 6.1251 6.6831 6.7824 7.2891 7.4069 8.1298 8.3059 8.9022 8.9168 9.5116 9.5301 12.8113 12.8118 14.5834 14.7152 15.5725 15.5758 17.1221 17.2606 k = 0.4053 0.2340 0.5134 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3761 -88.3761 -88.3682 -88.3682 -88.3573 -88.3573 -88.3573 -88.3573 3.1033 3.1175 3.5389 3.5445 4.4716 4.4871 5.5682 5.5714 6.0602 6.1290 6.6821 6.7681 7.3011 7.4264 8.0822 8.2580 8.8526 8.8636 9.5573 9.5800 12.7242 12.7300 14.6389 14.7699 15.5940 15.5994 17.2385 17.3844 k = 0.4015 0.2318 0.5258 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3759 -88.3758 -88.3684 -88.3684 -88.3573 -88.3573 -88.3573 -88.3573 3.1599 3.1753 3.5584 3.5629 4.4195 4.4384 5.5414 5.5434 6.0754 6.1363 6.6823 6.7558 7.3130 7.4454 8.0371 8.2129 8.8024 8.8104 9.6010 9.6275 12.6384 12.6502 14.6950 14.8245 15.6179 15.6254 17.3477 17.5023 k = 0.3977 0.2296 0.5381 ( 3696 PWs) bands (ev): -89.8662 -89.8662 -88.3756 -88.3756 -88.3687 -88.3687 -88.3573 -88.3573 -88.3573 -88.3573 3.2157 3.2322 3.5770 3.5799 4.3693 4.3921 5.5143 5.5145 6.0919 6.1462 6.6837 6.7457 7.3244 7.4635 7.9952 8.1708 8.7520 8.7573 9.6419 9.6719 12.5548 12.5724 14.7514 14.8787 15.6442 15.6539 17.4472 17.6122 k = 0.3939 0.2274 0.5505 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3754 -88.3754 -88.3689 -88.3689 -88.3573 -88.3573 -88.3573 -88.3573 3.2696 3.2869 3.5943 3.5948 4.3225 4.3497 5.4860 5.4879 6.1091 6.1578 6.6861 6.7379 7.3350 7.4799 7.9569 8.1324 8.7015 8.7046 9.6795 9.7128 12.4742 12.4972 14.8080 14.9324 15.6728 15.6849 17.5340 17.7119 k = 0.3902 0.2253 0.5629 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3752 -88.3752 -88.3691 -88.3691 -88.3573 -88.3573 -88.3573 -88.3573 3.3198 3.3374 3.6073 3.6103 4.2812 4.3131 5.4589 5.4629 6.1264 6.1705 6.6897 6.7322 7.3443 7.4938 7.9232 8.0982 8.6514 8.6526 9.7133 9.7497 12.3971 12.4251 14.8645 14.9856 15.7036 15.7183 17.6055 17.7962 k = 0.3864 0.2231 0.5753 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3749 -88.3749 -88.3694 -88.3694 -88.3573 -88.3573 -88.3573 -88.3573 3.3634 3.3805 3.6178 3.6255 4.2476 4.2845 5.4341 5.4402 6.1434 6.1834 6.6942 6.7288 7.3519 7.5038 7.8951 8.0688 8.6017 8.6018 9.7427 9.7821 12.3241 12.3565 14.9208 15.0380 15.7366 15.7539 17.6607 17.8400 k = 0.3826 0.2209 0.5876 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3747 -88.3747 -88.3696 -88.3695 -88.3573 -88.3573 -88.3573 -88.3573 3.3958 3.4110 3.6288 3.6425 4.2242 4.2658 5.4124 5.4206 6.1597 6.1961 6.6995 6.7274 7.3575 7.5087 7.8738 8.0446 8.5524 8.5530 9.7673 9.8096 12.2557 12.2920 14.9767 15.0896 15.7715 15.7917 17.7018 17.8552 k = 0.3788 0.2187 0.6000 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3746 -88.3746 -88.3697 -88.3697 -88.3573 -88.3573 -88.3573 -88.3573 3.4105 3.4230 3.6450 3.6650 4.2127 4.2585 5.3948 5.4046 6.1749 6.2081 6.7054 6.7280 7.3606 7.5073 7.8603 8.0260 8.5051 8.5055 9.7867 9.8317 12.1922 12.2319 15.0321 15.1403 15.8082 15.8315 17.7329 17.8667 k = 0.3750 0.2165 0.6124 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3744 -88.3744 -88.3699 -88.3699 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.6250-0.0722 0.4082 ( 3703 PWs) bands (ev): -89.8662 -89.8662 -88.3745 -88.3744 -88.3699 -88.3698 -88.3573 -88.3573 -88.3573 -88.3573 3.4033 3.4135 3.6702 3.6951 4.2138 4.2624 5.3820 5.3932 6.1886 6.2190 6.7115 6.7303 7.3614 7.4993 7.8547 8.0131 8.4600 8.4605 9.8006 9.8481 12.1342 12.1765 15.0869 15.1901 15.8466 15.8730 17.7575 17.8775 k = 0.6184-0.0836 0.4082 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3743 -88.3742 -88.3700 -88.3700 -88.3573 -88.3573 -88.3573 -88.3573 3.3682 3.3761 3.7219 3.7525 4.2293 4.2816 5.3673 5.3803 6.2123 6.2379 6.7214 6.7354 7.3608 7.4799 7.8501 7.9942 8.3842 8.3868 9.8163 9.8684 12.0417 12.0880 15.1813 15.2758 15.9165 15.9484 17.7924 17.8926 k = 0.6118-0.0950 0.4082 ( 3702 PWs) bands (ev): -89.8662 -89.8662 -88.3741 -88.3741 -88.3702 -88.3702 -88.3573 -88.3573 -88.3573 -88.3573 3.3300 3.3366 3.7692 3.8037 4.2512 4.3063 5.3589 5.3734 6.2381 6.2587 6.7298 6.7401 7.3608 7.4609 7.8422 7.9722 8.3115 8.3152 9.8252 9.8821 11.9569 12.0070 15.2756 15.3613 15.9905 16.0278 17.8199 17.9015 k = 0.6053-0.1064 0.4082 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3739 -88.3739 -88.3704 -88.3704 -88.3573 -88.3573 -88.3573 -88.3573 3.2917 3.2973 3.8090 3.8454 4.2793 4.3357 5.3581 5.3736 6.2657 6.2811 6.7368 6.7446 7.3616 7.4424 7.8306 7.9460 8.2424 8.2460 9.8272 9.8889 11.8806 11.9339 15.3694 15.4466 16.0687 16.1111 17.8395 17.9038 k = 0.5987-0.1177 0.4082 ( 3698 PWs) bands (ev): -89.8662 -89.8662 -88.3737 -88.3737 -88.3706 -88.3706 -88.3573 -88.3573 -88.3573 -88.3573 3.2543 3.2593 3.8407 3.8773 4.3120 4.3679 5.3657 5.3819 6.2949 6.3050 6.7426 6.7490 7.3632 7.4240 7.8151 7.9142 8.1776 8.1794 9.8225 9.8885 11.8133 11.8693 15.4628 15.5315 16.1508 16.1981 17.8508 17.8994 k = 0.5921-0.1291 0.4082 ( 3694 PWs) bands (ev): -89.8662 -89.8662 -88.3736 -88.3736 -88.3707 -88.3707 -88.3573 -88.3573 -88.3573 -88.3573 3.2184 3.2229 3.8652 3.9005 4.3467 4.4005 5.3829 5.3991 6.3253 6.3302 6.7475 6.7537 7.3658 7.4057 7.7954 7.8761 8.1155 8.1175 9.8116 9.8811 11.7554 11.8131 15.5555 15.6160 16.2370 16.2887 17.8536 17.8881 k = 0.5855-0.1405 0.4082 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3734 -88.3734 -88.3709 -88.3709 -88.3573 -88.3573 -88.3573 -88.3573 3.1844 3.1885 3.8836 3.9168 4.3808 4.4313 5.4100 5.4257 6.3565 6.3567 6.7516 6.7589 7.3693 7.3873 7.7712 7.8313 8.0545 8.0621 9.7953 9.8673 11.7067 11.7653 15.6472 15.6999 16.3269 16.3826 17.8480 17.8702 k = 0.5789-0.1519 0.4082 ( 3690 PWs) bands (ev): -89.8662 -89.8662 -88.3733 -88.3733 -88.3710 -88.3710 -88.3573 -88.3573 -88.3573 -88.3573 3.1525 3.1562 3.8974 3.9279 4.4119 4.4584 5.4470 5.4616 6.3838 6.3890 6.7555 6.7650 7.3683 7.3735 7.7427 7.7806 7.9966 8.0105 9.7746 9.8479 11.6669 11.7253 15.7378 15.7830 16.4203 16.4794 17.8344 17.8461 k = 0.5724-0.1633 0.4082 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3732 -88.3732 -88.3711 -88.3711 -88.3573 -88.3573 -88.3573 -88.3573 3.1228 3.1261 3.9076 3.9353 4.4388 4.4808 5.4932 5.5061 6.4120 6.4218 6.7595 6.7721 7.3484 7.3780 7.7099 7.7253 7.9419 7.9613 9.7508 9.8239 11.6353 11.6924 15.8269 15.8650 16.5171 16.5789 17.8133 17.8162 k = 0.5658-0.1747 0.4082 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3731 -88.3731 -88.3712 -88.3712 -88.3573 -88.3573 -88.3573 -88.3573 3.0955 3.0984 3.9152 3.9401 4.4608 4.4982 5.5472 5.5582 6.4407 6.4551 6.7641 6.7807 7.3273 7.3822 7.6673 7.6733 7.8907 7.9131 9.7250 9.7966 11.6111 11.6658 15.9142 15.9456 16.6166 16.6804 17.7813 17.7856 k = 0.5592-0.1861 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3731 -88.3730 -88.3712 -88.3712 -88.3573 -88.3573 -88.3573 -88.3573 3.0705 3.0731 3.9210 3.9431 4.4781 4.5109 5.6072 5.6158 6.4700 6.4886 6.7699 6.7909 7.3046 7.3850 7.6088 7.6333 7.8431 7.8648 9.6987 9.7674 11.5932 11.6446 15.9992 16.0245 16.7184 16.7833 17.7422 17.7521 k = 0.5526-0.1975 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 3.0480 3.0503 3.9254 3.9448 4.4913 4.5197 5.6707 5.6771 6.4996 6.5223 6.7774 6.8029 7.2798 7.3839 7.5530 7.5911 7.7992 7.8162 9.6730 9.7374 11.5806 11.6279 16.0813 16.1010 16.8217 16.8867 17.6999 17.7140 k = 0.5461-0.2089 0.4082 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3730 -88.3730 -88.3713 -88.3713 -88.3573 -88.3573 -88.3573 -88.3573 3.0281 3.0301 3.9288 3.9457 4.5010 4.5252 5.7355 5.7395 6.5296 6.5562 6.7873 6.8166 7.2525 7.3730 7.5059 7.5477 7.7592 7.7676 9.6490 9.7079 11.5723 11.6149 16.1599 16.1746 16.9253 16.9892 17.6557 17.6726 k = 0.5395-0.2203 0.4082 ( 3686 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 3.0107 3.0124 3.9315 3.9458 4.5081 4.5283 5.7989 5.8007 6.5600 6.5902 6.7999 6.8320 7.2225 7.3437 7.4760 7.5050 7.7200 7.7233 9.6275 9.6799 11.5674 11.6047 16.2339 16.2441 17.0278 17.0893 17.6110 17.6293 k = 0.5329-0.2317 0.4082 ( 3684 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9960 2.9974 3.9337 3.9456 4.5132 4.5297 5.8581 5.8582 6.5907 6.6240 6.8156 6.8486 7.1894 7.2966 7.4623 7.4654 7.6753 7.6914 9.6093 9.6542 11.5650 11.5967 16.3020 16.3085 17.1273 17.1845 17.5674 17.5860 k = 0.5263-0.2431 0.4082 ( 3688 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9839 2.9850 3.9355 3.9450 4.5169 4.5298 5.9093 5.9108 6.6217 6.6570 6.8346 6.8661 7.1533 7.2407 7.4318 7.4548 7.6366 7.6635 9.5947 9.6315 11.5646 11.5902 16.3626 16.3661 17.2208 17.2716 17.5271 17.5449 k = 0.5197-0.2545 0.4082 ( 3700 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9745 2.9754 3.9371 3.9442 4.5196 4.5292 5.9520 5.9542 6.6524 6.6869 6.8568 6.8844 7.1150 7.1826 7.4072 7.4455 7.6077 7.6396 9.5842 9.6123 11.5655 11.5850 16.4135 16.4150 17.3045 17.3458 17.4927 17.5085 k = 0.5132-0.2659 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9679 2.9684 3.9386 3.9432 4.5218 4.5281 5.9842 5.9863 6.6812 6.7102 6.8816 6.9039 7.0777 7.1267 7.3935 7.4314 7.5915 7.6195 9.5780 9.5969 11.5675 11.5805 16.4523 16.4526 17.3726 17.4006 17.4673 17.4810 k = 0.5066-0.2773 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9639 2.9642 3.9399 3.9422 4.5236 4.5267 6.0045 6.0058 6.7050 6.7220 6.9068 6.9217 7.0494 7.0781 7.3913 7.4143 7.5874 7.6036 9.5762 9.5857 11.5700 11.5766 16.4767 16.4767 17.4157 17.4264 17.4571 17.4686 k = 0.5000-0.2887 0.4082 ( 3692 PWs) bands (ev): -89.8662 -89.8662 -88.3729 -88.3729 -88.3714 -88.3714 -88.3573 -88.3573 -88.3573 -88.3573 2.9627 2.9627 3.9411 3.9411 4.5252 4.5252 6.0119 6.0119 6.7199 6.7199 6.9247 6.9247 7.0472 7.0472 7.3993 7.3993 7.5923 7.5923 9.5787 9.5787 11.5731 11.5731 16.4850 16.4850 17.4275 17.4275 17.4645 17.4645 Writing output data file Be5Pt.save init_run : 3.53s CPU 13.48s WALL ( 1 calls) electrons : 713.71s CPU 721.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 713.67s CPU 720.86s WALL ( 1 calls) v_of_rho : 0.36s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.35s CPU 0.61s WALL ( 1 calls) newd : 0.24s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 352 calls) cegterg : 665.62s CPU 670.44s WALL ( 1210 calls) Called by sum_band: Called by *egterg: h_psi : 332.24s CPU 343.82s WALL ( 23119 calls) s_psi : 23.21s CPU 23.98s WALL ( 23119 calls) g_psi : 0.77s CPU 0.90s WALL ( 21557 calls) cdiaghg : 217.78s CPU 213.14s WALL ( 21909 calls) cegterg:over : 56.09s CPU 51.22s WALL ( 21557 calls) cegterg:upda : 8.28s CPU 13.31s WALL ( 21557 calls) cegterg:last : 8.12s CPU 9.66s WALL ( 3725 calls) Called by h_psi: h_psi:vloc : 276.54s CPU 287.32s WALL ( 23119 calls) h_psi:vnl : 55.42s CPU 55.65s WALL ( 23119 calls) add_vuspsi : 13.99s CPU 19.66s WALL ( 23119 calls) General routines calbec : 41.36s CPU 35.83s WALL ( 23119 calls) fft : 0.42s CPU 1.45s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 254.86s CPU 261.31s WALL ( 1731212 calls) interpolate : 0.05s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 0.95s WALL ( 704 calls) Parallel routines fft_scatter : 162.79s CPU 163.53s WALL ( 1731235 calls) PWSCF : 12m45.87s CPU 14m11.75s WALL This run was terminated on: 7:22:53 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=