Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2GaIr.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 51 14 1453 1453 216 Max 52 52 15 1456 1456 220 Sum 1843 1843 511 52345 52345 7799 bravais-lattice index = 14 lattice parameter (alat) = 8.0695 a.u. unit-cell volume = 371.5623 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069542 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 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 PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Li 3.00 6.94100 Li( 1.00) Ir 17.00 192.21700 Ir( 1.00) Ga 13.00 69.72300 Ga( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028571 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028571 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028571 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028571 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028571 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028571 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028571 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028571 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028571 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028571 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028571 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028571 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028571 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028571 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028571 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028571 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028571 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028571 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028571 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028571 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028571 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028571 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028571 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028571 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028571 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028571 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028571 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028571 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028571 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028571 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028571 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028571 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028571 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028571 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028571 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028571 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028571 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028571 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028571 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028571 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028571 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028571 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028571 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028571 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028571 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028571 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028571 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028571 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028571 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028571 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028571 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028571 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028571 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028571 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028571 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028571 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028571 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028571 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028571 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028571 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028571 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028571 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028571 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028571 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028571 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028571 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028571 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028571 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028571 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028571 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028571 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028571 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028571 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028571 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028571 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028571 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028571 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028571 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028571 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028571 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028571 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028571 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028571 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028571 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028571 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028571 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028571 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028571 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028571 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028571 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028571 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028571 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028571 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028571 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028571 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028571 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028571 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028571 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028571 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028571 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028571 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028571 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028571 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028571 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028571 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028571 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028571 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028571 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028571 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028571 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028571 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028571 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028571 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028571 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028571 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028571 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028571 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028571 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028571 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028571 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028571 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028571 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028571 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028571 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028571 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028571 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028571 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028571 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028571 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028571 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028571 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028571 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028571 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028571 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028571 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028571 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028571 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028571 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028571 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028571 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028571 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028571 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028571 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028571 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028571 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028571 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028571 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028571 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028571 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028571 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028571 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028571 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028571 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028571 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028571 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028571 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028571 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028571 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028571 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028571 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028571 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028571 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028571 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028571 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028571 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028571 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028571 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028571 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028571 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028571 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028571 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028571 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028571 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028571 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028571 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028571 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028571 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028571 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 208) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028571 k( 209) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028571 k( 210) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028571 k( 211) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028571 k( 212) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028571 k( 213) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028571 k( 214) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028571 k( 215) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028571 k( 216) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028571 k( 217) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028571 k( 218) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028571 k( 219) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028571 k( 220) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028571 k( 221) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028571 k( 222) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028571 k( 223) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028571 k( 224) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028571 k( 225) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028571 k( 226) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028571 k( 227) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028571 k( 228) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028571 k( 229) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028571 k( 230) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028571 k( 231) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028571 k( 232) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028571 k( 233) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028571 k( 234) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028571 k( 235) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028571 k( 236) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028571 k( 237) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028571 k( 238) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028571 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 241) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028571 k( 242) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028571 k( 243) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028571 k( 244) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028571 k( 245) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028571 k( 246) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028571 k( 247) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028571 k( 248) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028571 k( 249) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028571 k( 250) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028571 k( 251) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028571 k( 252) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028571 k( 253) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028571 k( 254) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028571 k( 255) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028571 k( 256) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028571 k( 257) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028571 k( 258) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028571 k( 259) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 260) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 261) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028571 k( 262) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028571 k( 263) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028571 k( 264) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028571 k( 265) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028571 k( 266) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028571 k( 267) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028571 k( 268) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028571 k( 269) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028571 k( 270) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028571 k( 271) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028571 k( 272) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028571 k( 273) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028571 k( 274) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028571 k( 275) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028571 k( 276) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028571 k( 277) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028571 k( 278) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028571 k( 279) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028571 k( 280) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028571 k( 281) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028571 k( 282) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028571 k( 283) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028571 k( 284) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028571 k( 285) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028571 k( 286) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028571 k( 287) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028571 k( 288) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028571 k( 289) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028571 k( 290) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028571 k( 291) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028571 k( 292) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028571 k( 293) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028571 k( 294) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028571 k( 295) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028571 k( 296) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028571 k( 297) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 299) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028571 k( 300) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028571 k( 301) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028571 k( 302) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028571 k( 303) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028571 k( 304) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028571 k( 305) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028571 k( 306) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028571 k( 307) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028571 k( 308) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028571 k( 309) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028571 k( 310) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028571 k( 311) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028571 k( 312) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028571 k( 313) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028571 k( 314) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028571 k( 315) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028571 k( 316) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028571 k( 317) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028571 k( 318) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028571 k( 319) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028571 k( 320) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028571 k( 321) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028571 k( 322) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028571 k( 323) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028571 k( 324) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028571 k( 325) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028571 k( 326) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028571 k( 327) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028571 k( 328) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028571 k( 329) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028571 k( 330) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 332) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028571 k( 333) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028571 k( 334) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028571 k( 335) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028571 k( 336) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028571 k( 337) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028571 k( 338) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028571 k( 339) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028571 k( 340) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028571 k( 341) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028571 k( 342) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028571 k( 343) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028571 k( 344) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028571 k( 345) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028571 k( 346) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028571 k( 347) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028571 k( 348) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028571 k( 349) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028571 k( 350) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.1132076 0.0000000 0.1132075), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.3584906 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.3867925 -0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028571 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028571 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028571 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028571 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028571 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028571 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028571 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028571 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028571 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028571 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028571 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028571 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028571 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028571 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028571 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028571 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028571 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028571 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028571 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028571 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028571 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028571 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028571 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028571 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028571 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028571 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028571 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028571 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028571 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028571 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028571 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028571 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028571 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028571 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028571 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028571 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028571 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028571 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028571 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028571 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028571 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028571 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028571 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028571 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028571 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028571 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028571 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028571 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028571 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028571 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028571 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028571 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028571 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028571 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028571 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028571 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028571 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028571 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028571 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028571 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028571 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028571 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028571 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028571 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028571 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028571 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028571 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028571 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028571 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028571 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028571 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028571 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028571 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028571 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028571 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028571 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028571 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028571 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028571 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028571 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028571 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028571 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028571 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028571 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028571 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028571 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028571 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028571 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028571 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028571 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028571 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028571 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028571 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028571 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028571 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028571 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028571 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028571 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028571 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028571 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028571 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028571 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028571 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028571 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028571 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028571 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028571 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028571 k( 170) = ( 0.1086957 0.1086956 0.1086957), wk = 0.0028571 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028571 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028571 k( 173) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028571 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028571 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028571 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028571 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028571 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028571 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028571 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028571 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028571 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028571 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028571 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028571 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028571 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028571 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028571 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028571 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028571 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028571 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028571 k( 193) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028571 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028571 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028571 k( 196) = ( 0.3913044 0.3913044 0.3913043), wk = 0.0028571 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028571 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028571 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028571 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028571 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028571 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028571 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028571 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028571 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028571 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028571 k( 209) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028571 k( 210) = ( 0.5117188 0.4765625 0.5117187), wk = 0.0028571 k( 211) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028571 k( 212) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028571 k( 213) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028571 k( 214) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028571 k( 215) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028571 k( 216) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028571 k( 217) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028571 k( 218) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028571 k( 219) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028571 k( 220) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028571 k( 221) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028571 k( 222) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028571 k( 223) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028571 k( 224) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028571 k( 225) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028571 k( 226) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028571 k( 227) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028571 k( 228) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028571 k( 229) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028571 k( 230) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028571 k( 231) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028571 k( 232) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028571 k( 233) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028571 k( 234) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028571 k( 235) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028571 k( 236) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028571 k( 237) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028571 k( 238) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028571 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 241) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028571 k( 242) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028571 k( 243) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028571 k( 244) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028571 k( 245) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028571 k( 246) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028571 k( 247) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028571 k( 248) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028571 k( 249) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028571 k( 250) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028571 k( 251) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028571 k( 252) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028571 k( 253) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028571 k( 254) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028571 k( 255) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028571 k( 256) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028571 k( 257) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028571 k( 258) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028571 k( 259) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 261) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028571 k( 262) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028571 k( 263) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028571 k( 264) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028571 k( 265) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028571 k( 266) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028571 k( 267) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028571 k( 268) = ( 0.5000000 0.3040541 0.6959459), wk = 0.0028571 k( 269) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028571 k( 270) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028571 k( 271) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028571 k( 272) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028571 k( 273) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028571 k( 274) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028571 k( 275) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028571 k( 276) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028571 k( 277) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028571 k( 278) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028571 k( 279) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028571 k( 280) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028571 k( 281) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028571 k( 282) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028571 k( 283) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028571 k( 284) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028571 k( 285) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028571 k( 286) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028571 k( 287) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028571 k( 288) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028571 k( 289) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028571 k( 290) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028571 k( 291) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028571 k( 292) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028571 k( 293) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028571 k( 294) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028571 k( 295) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028571 k( 296) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028571 k( 300) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028571 k( 301) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028571 k( 302) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028571 k( 303) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028571 k( 304) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028571 k( 305) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028571 k( 306) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028571 k( 307) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028571 k( 308) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028571 k( 309) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028571 k( 310) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028571 k( 311) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028571 k( 312) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028571 k( 313) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028571 k( 314) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028571 k( 315) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028571 k( 316) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028571 k( 317) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028571 k( 318) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028571 k( 319) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028571 k( 320) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028571 k( 321) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028571 k( 322) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028571 k( 323) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028571 k( 324) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028571 k( 325) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028571 k( 326) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028571 k( 327) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028571 k( 328) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028571 k( 329) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028571 k( 330) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 332) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028571 k( 333) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028571 k( 334) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028571 k( 335) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028571 k( 336) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028571 k( 337) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028571 k( 338) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028571 k( 339) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028571 k( 340) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028571 k( 341) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028571 k( 342) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028571 k( 343) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028571 k( 344) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028571 k( 345) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028571 k( 346) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028571 k( 347) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028571 k( 348) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028571 k( 349) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 52345 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 378, 44) NL pseudopotentials 0.28 Mb ( 189, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1455) G-vector shells 0.00 Mb ( 403) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 378, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./Li2GaIr.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.3 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.5 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.0 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 19.0 secs Computing kpt #: 30 total cpu time spent up to now is 19.4 secs Computing kpt #: 31 total cpu time spent up to now is 20.0 secs Computing kpt #: 32 total cpu time spent up to now is 20.4 secs Computing kpt #: 33 total cpu time spent up to now is 20.9 secs Computing kpt #: 34 total cpu time spent up to now is 21.4 secs Computing kpt #: 35 total cpu time spent up to now is 21.8 secs Computing kpt #: 36 total cpu time spent up to now is 22.3 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.8 secs Computing kpt #: 40 total cpu time spent up to now is 24.2 secs Computing kpt #: 41 total cpu time spent up to now is 24.7 secs Computing kpt #: 42 total cpu time spent up to now is 25.2 secs Computing kpt #: 43 total cpu time spent up to now is 25.7 secs Computing kpt #: 44 total cpu time spent up to now is 26.2 secs Computing kpt #: 45 total cpu time spent up to now is 26.6 secs Computing kpt #: 46 total cpu time spent up to now is 27.1 secs Computing kpt #: 47 total cpu time spent up to now is 27.6 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.0 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.8 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.7 secs Computing kpt #: 57 total cpu time spent up to now is 32.2 secs Computing kpt #: 58 total cpu time spent up to now is 32.6 secs Computing kpt #: 59 total cpu time spent up to now is 33.1 secs Computing kpt #: 60 total cpu time spent up to now is 33.5 secs Computing kpt #: 61 total cpu time spent up to now is 34.0 secs Computing kpt #: 62 total cpu time spent up to now is 34.5 secs Computing kpt #: 63 total cpu time spent up to now is 35.0 secs Computing kpt #: 64 total cpu time spent up to now is 35.5 secs Computing kpt #: 65 total cpu time spent up to now is 36.0 secs Computing kpt #: 66 total cpu time spent up to now is 36.4 secs Computing kpt #: 67 total cpu time spent up to now is 36.9 secs Computing kpt #: 68 total cpu time spent up to now is 37.4 secs Computing kpt #: 69 total cpu time spent up to now is 37.9 secs Computing kpt #: 70 total cpu time spent up to now is 38.4 secs Computing kpt #: 71 total cpu time spent up to now is 38.8 secs Computing kpt #: 72 total cpu time spent up to now is 39.4 secs Computing kpt #: 73 total cpu time spent up to now is 39.9 secs Computing kpt #: 74 total cpu time spent up to now is 40.4 secs Computing kpt #: 75 total cpu time spent up to now is 40.9 secs Computing kpt #: 76 total cpu time spent up to now is 41.3 secs Computing 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is 49.3 secs Computing kpt #: 93 total cpu time spent up to now is 49.8 secs Computing kpt #: 94 total cpu time spent up to now is 50.4 secs Computing kpt #: 95 total cpu time spent up to now is 50.9 secs Computing kpt #: 96 total cpu time spent up to now is 51.4 secs Computing kpt #: 97 total cpu time spent up to now is 51.9 secs Computing kpt #: 98 total cpu time spent up to now is 52.4 secs Computing kpt #: 99 total cpu time spent up to now is 52.9 secs Computing kpt #: 100 total cpu time spent up to now is 53.4 secs Computing kpt #: 101 total cpu time spent up to now is 53.8 secs Computing kpt #: 102 total cpu time spent up to now is 54.3 secs Computing kpt #: 103 total cpu time spent up to now is 54.8 secs Computing kpt #: 104 total cpu time spent up to now is 55.3 secs Computing kpt #: 105 total cpu time spent up to now is 55.8 secs Computing kpt #: 106 total cpu time spent up to now is 56.3 secs Computing kpt #: 107 total cpu time spent up to now is 56.8 secs Computing kpt #: 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up to now is 66.6 secs Computing kpt #: 124 total cpu time spent up to now is 67.1 secs Computing kpt #: 125 total cpu time spent up to now is 67.8 secs Computing kpt #: 126 total cpu time spent up to now is 68.3 secs Computing kpt #: 127 total cpu time spent up to now is 68.9 secs Computing kpt #: 128 total cpu time spent up to now is 69.5 secs Computing kpt #: 129 total cpu time spent up to now is 70.1 secs Computing kpt #: 130 total cpu time spent up to now is 70.7 secs Computing kpt #: 131 total cpu time spent up to now is 71.2 secs Computing kpt #: 132 total cpu time spent up to now is 71.7 secs Computing kpt #: 133 total cpu time spent up to now is 72.3 secs Computing kpt #: 134 total cpu time spent up to now is 72.8 secs Computing kpt #: 135 total cpu time spent up to now is 73.4 secs Computing kpt #: 136 total cpu time spent up to now is 73.9 secs Computing kpt #: 137 total cpu time spent up to now is 74.5 secs Computing kpt #: 138 total cpu time spent up to now is 75.1 secs Computing kpt #: 139 total cpu time spent up to now is 75.6 secs Computing kpt #: 140 total cpu time spent up to now is 76.2 secs Computing kpt #: 141 total cpu time spent up to now is 76.7 secs Computing kpt #: 142 total cpu time spent up to now is 77.3 secs Computing kpt #: 143 total cpu time spent up to now is 77.8 secs Computing kpt #: 144 total cpu time spent up to now is 78.4 secs Computing kpt #: 145 total cpu time spent up to now is 78.9 secs Computing kpt #: 146 total cpu time spent up to now is 79.5 secs Computing kpt #: 147 total cpu time spent up to now is 80.0 secs Computing kpt #: 148 total cpu time spent up to now is 80.6 secs Computing kpt #: 149 total cpu time spent up to now is 81.1 secs Computing kpt #: 150 total cpu time spent up to now is 81.7 secs Computing kpt #: 151 total cpu time spent up to now is 82.3 secs Computing kpt #: 152 total cpu time spent up to now is 82.9 secs Computing kpt #: 153 total cpu time spent up to now is 83.4 secs Computing kpt #: 154 total cpu time spent up to now is 84.0 secs Computing kpt #: 155 total cpu time spent up to now is 84.5 secs Computing kpt #: 156 total cpu time spent up to now is 85.1 secs Computing kpt #: 157 total cpu time spent up to now is 85.7 secs Computing kpt #: 158 total cpu time spent up to now is 86.3 secs Computing kpt #: 159 total cpu time spent up to now is 86.8 secs Computing kpt #: 160 total cpu time spent up to now is 87.4 secs Computing kpt #: 161 total cpu time spent up to now is 87.9 secs Computing kpt #: 162 total cpu time spent up to now is 88.5 secs Computing kpt #: 163 total cpu time spent up to now is 89.1 secs Computing kpt #: 164 total cpu time spent up to now is 89.6 secs Computing kpt #: 165 total cpu time spent up to now is 90.1 secs Computing kpt #: 166 total cpu time spent up to now is 90.7 secs Computing kpt #: 167 total cpu time spent up to now is 91.2 secs Computing kpt #: 168 total cpu time spent up to now is 91.8 secs Computing kpt #: 169 total cpu time spent up 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Computing kpt #: 185 total cpu time spent up to now is 101.4 secs Computing kpt #: 186 total cpu time spent up to now is 101.9 secs Computing kpt #: 187 total cpu time spent up to now is 102.4 secs Computing kpt #: 188 total cpu time spent up to now is 102.9 secs Computing kpt #: 189 total cpu time spent up to now is 103.4 secs Computing kpt #: 190 total cpu time spent up to now is 104.0 secs Computing kpt #: 191 total cpu time spent up to now is 104.5 secs Computing kpt #: 192 total cpu time spent up to now is 105.0 secs Computing kpt #: 193 total cpu time spent up to now is 105.5 secs Computing kpt #: 194 total cpu time spent up to now is 106.1 secs Computing kpt #: 195 total cpu time spent up to now is 106.6 secs Computing kpt #: 196 total cpu time spent up to now is 107.2 secs Computing kpt #: 197 total cpu time spent up to now is 107.7 secs Computing kpt #: 198 total cpu time spent up to now is 108.2 secs Computing kpt #: 199 total cpu time spent up to now is 108.7 secs Computing kpt #: 200 total cpu time spent up to now is 109.2 secs Computing kpt #: 201 total cpu time spent up to now is 109.7 secs Computing kpt #: 202 total cpu time spent up to now is 110.3 secs Computing kpt #: 203 total cpu time spent up to now is 110.8 secs Computing kpt #: 204 total cpu time spent up to now is 111.3 secs Computing kpt #: 205 total cpu time spent up to now is 111.8 secs Computing kpt #: 206 total cpu time spent up to now is 112.3 secs Computing kpt #: 207 total cpu time spent up to now is 112.8 secs Computing kpt #: 208 total cpu time spent up to now is 113.3 secs Computing kpt #: 209 total cpu time spent up to now is 113.9 secs Computing kpt #: 210 total cpu time spent up to now is 114.4 secs Computing kpt #: 211 total cpu time spent up to now is 114.9 secs Computing kpt #: 212 total cpu time spent up to now is 115.4 secs Computing kpt #: 213 total cpu time spent up to now is 115.9 secs Computing kpt #: 214 total cpu time spent up to now is 116.5 secs Computing kpt #: 215 total cpu time spent up to now is 117.0 secs Computing kpt #: 216 total cpu time spent up to now is 117.5 secs Computing kpt #: 217 total cpu time spent up to now is 118.1 secs Computing kpt #: 218 total cpu time spent up to now is 118.6 secs Computing kpt #: 219 total cpu time spent up to now is 119.1 secs Computing kpt #: 220 total cpu time spent up to now is 119.7 secs Computing kpt #: 221 total cpu time spent up to now is 120.3 secs Computing kpt #: 222 total cpu time spent up to now is 120.8 secs Computing kpt #: 223 total cpu time spent up to now is 121.3 secs Computing kpt #: 224 total cpu time spent up to now is 121.9 secs Computing kpt #: 225 total cpu time spent up to now is 122.5 secs Computing kpt #: 226 total cpu time spent up to now is 123.0 secs Computing kpt #: 227 total cpu time spent up to now is 123.5 secs Computing kpt #: 228 total cpu time spent up to now is 124.1 secs Computing kpt #: 229 total cpu time spent up to now is 124.6 secs Computing kpt #: 230 total cpu 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up to now is 132.6 secs Computing kpt #: 246 total cpu time spent up to now is 133.1 secs Computing kpt #: 247 total cpu time spent up to now is 133.6 secs Computing kpt #: 248 total cpu time spent up to now is 134.1 secs Computing kpt #: 249 total cpu time spent up to now is 134.7 secs Computing kpt #: 250 total cpu time spent up to now is 135.1 secs Computing kpt #: 251 total cpu time spent up to now is 135.6 secs Computing kpt #: 252 total cpu time spent up to now is 136.1 secs Computing kpt #: 253 total cpu time spent up to now is 136.6 secs Computing kpt #: 254 total cpu time spent up to now is 137.1 secs Computing kpt #: 255 total cpu time spent up to now is 137.6 secs Computing kpt #: 256 total cpu time spent up to now is 138.1 secs Computing kpt #: 257 total cpu time spent up to now is 138.6 secs Computing kpt #: 258 total cpu time spent up to now is 139.1 secs Computing kpt #: 259 total cpu time spent up to now is 139.6 secs Computing kpt #: 260 total cpu time spent up to now is 140.0 secs Computing kpt #: 261 total cpu time spent up to now is 140.6 secs Computing kpt #: 262 total cpu time spent up to now is 141.1 secs Computing kpt #: 263 total cpu time spent up to now is 141.6 secs Computing kpt #: 264 total cpu time spent up to now is 142.1 secs Computing kpt #: 265 total cpu time spent up to now is 142.6 secs Computing kpt #: 266 total cpu time spent up to now is 143.2 secs Computing kpt #: 267 total cpu time spent up to now is 143.7 secs Computing kpt #: 268 total cpu time spent up to now is 144.2 secs Computing kpt #: 269 total cpu time spent up to now is 144.7 secs Computing kpt #: 270 total cpu time spent up to now is 145.2 secs Computing kpt #: 271 total cpu time spent up to now is 145.7 secs Computing kpt #: 272 total cpu time spent up to now is 146.3 secs Computing kpt #: 273 total cpu time spent up to now is 146.8 secs Computing kpt #: 274 total cpu time spent up to now is 147.3 secs Computing kpt #: 275 total cpu time spent up to now is 147.9 secs Computing kpt #: 276 total cpu time spent up to now is 148.4 secs Computing kpt #: 277 total cpu time spent up to now is 148.9 secs Computing kpt #: 278 total cpu time spent up to now is 149.5 secs Computing kpt #: 279 total cpu time spent up to now is 150.0 secs Computing kpt #: 280 total cpu time spent up to now is 150.5 secs Computing kpt #: 281 total cpu time spent up to now is 151.0 secs Computing kpt #: 282 total cpu time spent up to now is 151.5 secs Computing kpt #: 283 total cpu time spent up to now is 152.0 secs Computing kpt #: 284 total cpu time spent up to now is 152.5 secs Computing kpt #: 285 total cpu time spent up to now is 153.1 secs Computing kpt #: 286 total cpu time spent up to now is 153.5 secs Computing kpt #: 287 total cpu time spent up to now is 154.1 secs Computing kpt #: 288 total cpu time spent up to now is 154.7 secs Computing kpt #: 289 total cpu time spent up to now is 155.2 secs Computing kpt #: 290 total cpu time spent up to now is 155.7 secs Computing kpt #: 291 total cpu time spent up to now is 156.3 secs Computing kpt #: 292 total cpu time spent up to now is 156.8 secs Computing kpt #: 293 total cpu time spent up to now is 157.3 secs Computing kpt #: 294 total cpu time spent up to now is 157.9 secs Computing kpt #: 295 total cpu time spent up to now is 158.4 secs Computing kpt #: 296 total cpu time spent up to now is 158.9 secs Computing kpt #: 297 total cpu time spent up to now is 159.5 secs Computing kpt #: 298 total cpu time spent up to now is 160.0 secs Computing kpt #: 299 total cpu time spent up to now is 160.4 secs Computing kpt #: 300 total cpu time spent up to now is 161.0 secs Computing kpt #: 301 total cpu time spent up to now is 161.6 secs Computing kpt #: 302 total cpu time spent up to now is 162.3 secs Computing kpt #: 303 total cpu time spent up to now is 163.0 secs Computing kpt #: 304 total cpu time spent up to now is 163.6 secs Computing kpt #: 305 total cpu time spent up to now is 164.1 secs Computing kpt #: 306 total cpu time spent up to now is 164.6 secs Computing kpt #: 307 total cpu time spent up to now is 165.1 secs Computing kpt #: 308 total cpu time spent up to now is 165.6 secs Computing kpt #: 309 total cpu time spent up to now is 166.1 secs Computing kpt #: 310 total cpu time spent up to now is 166.7 secs Computing kpt #: 311 total cpu time spent up to now is 167.2 secs Computing kpt #: 312 total cpu time spent up to now is 167.8 secs Computing kpt #: 313 total cpu time spent up to now is 168.3 secs Computing kpt #: 314 total cpu time spent up to now is 168.9 secs Computing kpt #: 315 total cpu time spent up to now is 169.4 secs Computing kpt #: 316 total cpu time spent up to now is 170.0 secs Computing kpt #: 317 total cpu time spent up to now is 173.1 secs Computing kpt #: 318 total cpu time spent up to now is 173.6 secs Computing kpt #: 319 total cpu time spent up to now is 174.1 secs Computing kpt #: 320 total cpu time spent up to now is 174.7 secs Computing kpt #: 321 total cpu time spent up to now is 175.2 secs Computing kpt #: 322 total cpu time spent up to now is 175.7 secs Computing kpt #: 323 total cpu time spent up to now is 176.2 secs Computing kpt #: 324 total cpu time spent up to now is 176.7 secs Computing kpt #: 325 total cpu time spent up to now is 177.2 secs Computing kpt #: 326 total cpu time spent up to now is 177.7 secs Computing kpt #: 327 total cpu time spent up to now is 178.2 secs Computing kpt #: 328 total cpu time spent up to now is 178.7 secs Computing kpt #: 329 total cpu time spent up to now is 179.3 secs Computing kpt #: 330 total cpu time spent up to now is 179.8 secs Computing kpt #: 331 total cpu time spent up to now is 180.2 secs Computing kpt #: 332 total cpu time spent up to now is 180.7 secs Computing kpt #: 333 total cpu time spent up to now is 181.2 secs Computing kpt #: 334 total cpu time spent up to now is 181.7 secs Computing kpt #: 335 total cpu time spent up to now is 182.2 secs Computing kpt #: 336 total cpu time spent up to now is 182.7 secs Computing kpt #: 337 total cpu time spent up to now is 183.1 secs Computing kpt #: 338 total cpu time spent up to now is 183.6 secs Computing kpt #: 339 total cpu time spent up to now is 184.0 secs Computing kpt #: 340 total cpu time spent up to now is 184.5 secs Computing kpt #: 341 total cpu time spent up to now is 185.0 secs Computing kpt #: 342 total cpu time spent up to now is 185.5 secs Computing kpt #: 343 total cpu time spent up to now is 185.9 secs Computing kpt #: 344 total cpu time spent up to now is 186.4 secs Computing kpt #: 345 total cpu time spent up to now is 186.8 secs Computing kpt #: 346 total cpu time spent up to now is 187.3 secs Computing kpt #: 347 total cpu time spent up to now is 187.8 secs Computing kpt #: 348 total cpu time spent up to now is 188.3 secs Computing kpt #: 349 total cpu time spent up to now is 188.8 secs Computing kpt #: 350 total cpu time spent up to now is 189.2 secs ethr = 2.78E-08, avg # of iterations = 15.4 total cpu time spent up to now is 189.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9099 -3.9099 -3.9099 -3.9099 -3.4731 -3.4731 -3.4463 -3.4463 -3.4463 -3.4463 2.0652 2.0652 7.3691 7.3691 7.3691 7.3691 7.8921 7.8921 9.1349 9.1349 9.1349 9.1349 14.6523 14.6523 15.0977 15.0977 15.0977 15.0977 15.4917 15.4917 16.2411 16.2411 k = 0.0094-0.0054 0.0077 ( 6579 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9406 -34.9406 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9101 -3.9101 -3.9097 -3.9097 -3.4731 -3.4731 -3.4465 -3.4465 -3.4461 -3.4461 2.0664 2.0664 7.3673 7.3673 7.3711 7.3711 7.8922 7.8922 9.1310 9.1310 9.1375 9.1375 14.6469 14.6469 15.0914 15.0914 15.0965 15.0965 15.4839 15.4839 16.2448 16.2448 k = 0.0189-0.0109 0.0154 ( 6547 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9103 -3.9103 -3.9095 -3.9095 -3.4731 -3.4731 -3.4468 -3.4468 -3.4459 -3.4459 2.0700 2.0700 7.3655 7.3655 7.3735 7.3735 7.8924 7.8924 9.1254 9.1254 9.1396 9.1396 14.6300 14.6300 15.0755 15.0755 15.0907 15.0907 15.4609 15.4609 16.2556 16.2556 k = 0.0283-0.0163 0.0231 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7422 -33.7422 -3.9104 -3.9104 -3.9093 -3.9093 -3.4731 -3.4731 -3.4470 -3.4470 -3.4456 -3.4456 2.0760 2.0760 7.3638 7.3638 7.3762 7.3762 7.8928 7.8928 9.1176 9.1176 9.1415 9.1415 14.6006 14.6006 15.0487 15.0487 15.0837 15.0837 15.4241 15.4241 16.2723 16.2723 k = 0.0377-0.0218 0.0308 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7422 -33.7422 -3.9106 -3.9106 -3.9091 -3.9091 -3.4730 -3.4730 -3.4472 -3.4472 -3.4454 -3.4454 2.0845 2.0845 7.3619 7.3619 7.3795 7.3795 7.8933 7.8933 9.1075 9.1075 9.1434 9.1434 14.5573 14.5573 15.0106 15.0106 15.0783 15.0783 15.3750 15.3750 16.2938 16.2938 k = 0.0472-0.0272 0.0385 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3825 -34.3825 -33.7423 -33.7423 -33.7422 -33.7422 -3.9108 -3.9108 -3.9090 -3.9090 -3.4730 -3.4730 -3.4474 -3.4474 -3.4452 -3.4452 2.0954 2.0954 7.3598 7.3598 7.3832 7.3832 7.8941 7.8941 9.0949 9.0949 9.1456 9.1456 14.4998 14.4998 14.9611 14.9611 15.0770 15.0770 15.3150 15.3150 16.3193 16.3193 k = 0.0566-0.0327 0.0462 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3826 -34.3826 -33.7424 -33.7424 -33.7421 -33.7421 -3.9110 -3.9110 -3.9088 -3.9088 -3.4729 -3.4729 -3.4476 -3.4476 -3.4450 -3.4450 2.1086 2.1086 7.3575 7.3575 7.3876 7.3876 7.8952 7.8952 9.0800 9.0800 9.1482 9.1482 14.4284 14.4284 14.9006 14.9006 15.0808 15.0808 15.2453 15.2453 16.3481 16.3481 k = 0.0660-0.0381 0.0539 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3827 -34.3827 -33.7424 -33.7424 -33.7420 -33.7420 -3.9112 -3.9112 -3.9086 -3.9086 -3.4729 -3.4729 -3.4478 -3.4478 -3.4447 -3.4447 2.1243 2.1243 7.3547 7.3547 7.3926 7.3926 7.8965 7.8965 9.0629 9.0629 9.1510 9.1510 14.3445 14.3445 14.8296 14.8296 15.0898 15.0898 15.1668 15.1668 16.3801 16.3801 k = 0.0755-0.0436 0.0616 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9404 -34.9404 -34.3829 -34.3829 -33.7424 -33.7424 -33.7419 -33.7419 -3.9113 -3.9113 -3.9084 -3.9084 -3.4728 -3.4728 -3.4479 -3.4479 -3.4445 -3.4445 2.1423 2.1423 7.3515 7.3515 7.3983 7.3983 7.8983 7.8983 9.0436 9.0436 9.1543 9.1543 14.2500 14.2500 14.7490 14.7490 15.0767 15.0767 15.1072 15.1072 16.4153 16.4153 k = 0.0849-0.0490 0.0693 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3830 -34.3830 -33.7424 -33.7424 -33.7419 -33.7419 -3.9115 -3.9115 -3.9083 -3.9083 -3.4727 -3.4727 -3.4481 -3.4481 -3.4443 -3.4443 2.1627 2.1627 7.3478 7.3478 7.4047 7.4047 7.9006 7.9006 9.0224 9.0224 9.1580 9.1580 14.1467 14.1467 14.6597 14.6597 14.9832 14.9832 15.1245 15.1245 16.4535 16.4535 k = 0.0943-0.0545 0.0770 ( 6543 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3832 -34.3832 -33.7425 -33.7425 -33.7418 -33.7418 -3.9117 -3.9117 -3.9081 -3.9081 -3.4726 -3.4726 -3.4483 -3.4483 -3.4440 -3.4440 2.1855 2.1855 7.3434 7.3434 7.4118 7.4118 7.9034 7.9034 8.9995 8.9995 9.1620 9.1620 14.0361 14.0361 14.5627 14.5627 14.8806 14.8806 15.1473 15.1473 16.4948 16.4948 k = 0.1038-0.0599 0.0847 ( 6543 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3833 -34.3833 -33.7425 -33.7425 -33.7417 -33.7417 -3.9118 -3.9118 -3.9079 -3.9079 -3.4725 -3.4725 -3.4484 -3.4484 -3.4438 -3.4438 2.2107 2.2107 7.3383 7.3383 7.4196 7.4196 7.9068 7.9068 8.9751 8.9751 9.1664 9.1664 13.9197 13.9197 14.4593 14.4593 14.7707 14.7707 15.1734 15.1734 16.5388 16.5388 k = 0.1132-0.0654 0.0924 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3835 -34.3835 -33.7425 -33.7425 -33.7415 -33.7415 -3.9120 -3.9120 -3.9078 -3.9078 -3.4724 -3.4724 -3.4485 -3.4485 -3.4436 -3.4436 2.2382 2.2382 7.3323 7.3323 7.4283 7.4283 7.9109 7.9109 8.9493 8.9493 9.1712 9.1712 13.7987 13.7987 14.3502 14.3502 14.6540 14.6540 15.2023 15.2023 16.5849 16.5849 k = 0.1226-0.0708 0.1001 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3837 -34.3837 -33.7426 -33.7426 -33.7414 -33.7414 -3.9121 -3.9121 -3.9077 -3.9077 -3.4723 -3.4723 -3.4487 -3.4487 -3.4434 -3.4434 2.2680 2.2680 7.3254 7.3254 7.4377 7.4377 7.9159 7.9159 8.9225 8.9225 9.1764 9.1764 13.6739 13.6739 14.2364 14.2364 14.5309 14.5309 15.2335 15.2335 16.6323 16.6323 k = 0.1321-0.0763 0.1078 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3840 -34.3840 -33.7426 -33.7426 -33.7413 -33.7413 -3.9123 -3.9123 -3.9075 -3.9075 -3.4722 -3.4722 -3.4488 -3.4488 -3.4432 -3.4432 2.3001 2.3001 7.3175 7.3175 7.4480 7.4480 7.9217 7.9217 8.8950 8.8950 9.1819 9.1819 13.5462 13.5462 14.1188 14.1188 14.4021 14.4021 15.2666 15.2666 16.6791 16.6791 k = 0.1415-0.0817 0.1155 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9402 -34.9402 -34.3842 -34.3842 -33.7427 -33.7427 -33.7411 -33.7411 -3.9124 -3.9124 -3.9074 -3.9074 -3.4721 -3.4721 -3.4489 -3.4489 -3.4429 -3.4429 2.3346 2.3346 7.3084 7.3084 7.4590 7.4590 7.9285 7.9285 8.8669 8.8669 9.1878 9.1878 13.4162 13.4162 13.9980 13.9980 14.2681 14.2681 15.3012 15.3012 16.7226 16.7226 k = 0.1509-0.0871 0.1232 ( 6547 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9402 -34.9402 -34.3844 -34.3844 -33.7427 -33.7427 -33.7410 -33.7410 -3.9125 -3.9125 -3.9073 -3.9073 -3.4720 -3.4720 -3.4490 -3.4490 -3.4427 -3.4427 2.3713 2.3713 7.2981 7.2981 7.4709 7.4709 7.9364 7.9364 8.8385 8.8385 9.1940 9.1940 13.2844 13.2844 13.8746 13.8746 14.1296 14.1296 15.3369 15.3369 16.7583 16.7583 k = 0.1604-0.0926 0.1309 ( 6547 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3847 -34.3847 -33.7427 -33.7427 -33.7409 -33.7409 -3.9127 -3.9127 -3.9071 -3.9071 -3.4719 -3.4719 -3.4491 -3.4491 -3.4425 -3.4425 2.4102 2.4102 7.2864 7.2864 7.4836 7.4836 7.9454 7.9454 8.8102 8.8102 9.2006 9.2006 13.1512 13.1512 13.7493 13.7493 13.9873 13.9873 15.3735 15.3735 16.7816 16.7816 k = 0.1698-0.0980 0.1387 ( 6535 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3849 -34.3849 -33.7428 -33.7428 -33.7407 -33.7407 -3.9128 -3.9128 -3.9070 -3.9070 -3.4717 -3.4717 -3.4491 -3.4491 -3.4423 -3.4423 2.4514 2.4514 7.2733 7.2733 7.4972 7.4972 7.9556 7.9556 8.7822 8.7822 9.2074 9.2074 13.0170 13.0170 13.6224 13.6224 13.8419 13.8419 15.4108 15.4108 16.7903 16.7903 k = 0.1792-0.1035 0.1464 ( 6535 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3852 -34.3852 -33.7428 -33.7428 -33.7405 -33.7405 -3.9129 -3.9129 -3.9069 -3.9069 -3.4716 -3.4716 -3.4492 -3.4492 -3.4421 -3.4421 2.4948 2.4948 7.2586 7.2586 7.5116 7.5116 7.9670 7.9670 8.7548 8.7548 9.2146 9.2146 12.8820 12.8820 13.4942 13.4942 13.6941 13.6941 15.4483 15.4483 16.7865 16.7865 k = 0.1887-0.1089 0.1541 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3855 -34.3855 -33.7429 -33.7429 -33.7404 -33.7404 -3.9130 -3.9130 -3.9068 -3.9068 -3.4715 -3.4715 -3.4492 -3.4492 -3.4419 -3.4419 2.5403 2.5403 7.2422 7.2422 7.5269 7.5269 7.9796 7.9796 8.7283 8.7283 9.2220 9.2220 12.7465 12.7465 13.3650 13.3650 13.5447 13.5447 15.4860 15.4860 16.7742 16.7742 k = 0.1981-0.1144 0.1618 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9399 -34.9399 -34.3858 -34.3858 -33.7429 -33.7429 -33.7402 -33.7402 -3.9130 -3.9130 -3.9067 -3.9067 -3.4714 -3.4714 -3.4492 -3.4492 -3.4417 -3.4417 2.5879 2.5879 7.2241 7.2241 7.5430 7.5430 7.9936 7.9936 8.7030 8.7030 9.2297 9.2297 12.6106 12.6106 13.2350 13.2350 13.3946 13.3946 15.5237 15.5237 16.7569 16.7569 k = 0.2075-0.1198 0.1695 ( 6523 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9398 -34.9398 -34.3861 -34.3861 -33.7430 -33.7430 -33.7401 -33.7401 -3.9131 -3.9131 -3.9067 -3.9067 -3.4713 -3.4713 -3.4493 -3.4493 -3.4415 -3.4415 2.6377 2.6377 7.2041 7.2041 7.5600 7.5600 8.0089 8.0089 8.6791 8.6791 9.2377 9.2377 12.4746 12.4746 13.1042 13.1042 13.2446 13.2446 15.5610 15.5610 16.7372 16.7372 k = 0.2170-0.1253 0.1772 ( 6522 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9398 -34.9398 -34.3863 -34.3863 -33.7431 -33.7431 -33.7399 -33.7399 -3.9132 -3.9132 -3.9066 -3.9066 -3.4711 -3.4711 -3.4493 -3.4493 -3.4413 -3.4413 2.6895 2.6895 7.1823 7.1823 7.5778 7.5778 8.0255 8.0255 8.6570 8.6570 9.2458 9.2458 12.3384 12.3384 12.9724 12.9724 13.0957 13.0957 15.5980 15.5980 16.7164 16.7164 k = 0.2264-0.1307 0.1849 ( 6514 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9397 -34.3866 -34.3866 -33.7431 -33.7431 -33.7397 -33.7397 -3.9132 -3.9132 -3.9065 -3.9065 -3.4710 -3.4710 -3.4493 -3.4493 -3.4411 -3.4411 2.7433 2.7433 7.1584 7.1584 7.5964 7.5964 8.0434 8.0434 8.6370 8.6370 9.2542 9.2542 12.2024 12.2024 12.8393 12.8393 12.9489 12.9489 15.6344 15.6344 16.6955 16.6955 k = 0.2358-0.1362 0.1926 ( 6518 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9396 -34.9396 -34.3870 -34.3870 -33.7432 -33.7432 -33.7396 -33.7396 -3.9133 -3.9133 -3.9065 -3.9065 -3.4709 -3.4709 -3.4493 -3.4493 -3.4409 -3.4409 2.7990 2.7990 7.1325 7.1325 7.6159 7.6159 8.0626 8.0626 8.6193 8.6193 9.2627 9.2627 12.0665 12.0665 12.7046 12.7046 12.8055 12.8055 15.6702 15.6702 16.6750 16.6750 k = 0.2453-0.1416 0.2003 ( 6486 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9395 -34.9395 -34.3872 -34.3872 -33.7432 -33.7432 -33.7394 -33.7394 -3.9133 -3.9133 -3.9064 -3.9064 -3.4708 -3.4708 -3.4493 -3.4493 -3.4406 -3.4406 2.8566 2.8566 7.1045 7.1045 7.6361 7.6361 8.0831 8.0831 8.6043 8.6043 9.2714 9.2714 11.9309 11.9309 12.5679 12.5679 12.6661 12.6661 15.7052 15.7052 16.6553 16.6553 k = 0.2547-0.1471 0.2080 ( 6486 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9395 -34.9395 -34.3875 -34.3875 -33.7433 -33.7433 -33.7392 -33.7392 -3.9133 -3.9133 -3.9064 -3.9064 -3.4706 -3.4706 -3.4493 -3.4493 -3.4404 -3.4404 2.9160 2.9160 7.0744 7.0744 7.6571 7.6571 8.1047 8.1047 8.5921 8.5921 9.2802 9.2802 11.7957 11.7957 12.4296 12.4296 12.5312 12.5312 15.7393 15.7393 16.6363 16.6363 k = 0.2642-0.1525 0.2157 ( 6522 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9394 -34.9394 -34.3879 -34.3879 -33.7433 -33.7433 -33.7391 -33.7391 -3.9133 -3.9133 -3.9064 -3.9064 -3.4705 -3.4705 -3.4493 -3.4493 -3.4402 -3.4402 2.9772 2.9772 7.0421 7.0421 7.6788 7.6788 8.1274 8.1274 8.5830 8.5830 9.2891 9.2891 11.6610 11.6610 12.2905 12.2905 12.4004 12.4004 15.7726 15.7726 16.6183 16.6183 k = 0.2736-0.1580 0.2234 ( 6530 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9393 -34.9393 -34.3882 -34.3882 -33.7434 -33.7434 -33.7389 -33.7389 -3.9133 -3.9133 -3.9064 -3.9064 -3.4704 -3.4704 -3.4492 -3.4492 -3.4400 -3.4400 3.0401 3.0401 7.0076 7.0076 7.7012 7.7012 8.1512 8.1512 8.5774 8.5774 9.2981 9.2981 11.5270 11.5270 12.1518 12.1518 12.2729 12.2729 15.8048 15.8048 16.6013 16.6013 k = 0.2830-0.1634 0.2311 ( 6522 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9393 -34.9393 -34.3885 -34.3885 -33.7435 -33.7435 -33.7388 -33.7388 -3.9133 -3.9133 -3.9064 -3.9064 -3.4703 -3.4703 -3.4492 -3.4492 -3.4398 -3.4398 3.1045 3.1045 6.9710 6.9710 7.7244 7.7244 8.1759 8.1759 8.5753 8.5753 9.3072 9.3072 11.3938 11.3939 12.0143 12.0143 12.1484 12.1484 15.8361 15.8361 16.5851 16.5851 k = 0.2925-0.1688 0.2388 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9392 -34.9392 -34.3888 -34.3888 -33.7435 -33.7435 -33.7386 -33.7386 -3.9133 -3.9133 -3.9064 -3.9064 -3.4702 -3.4702 -3.4492 -3.4492 -3.4396 -3.4396 3.1704 3.1704 6.9323 6.9323 7.7481 7.7481 8.2015 8.2015 8.5769 8.5769 9.3163 9.3163 11.2618 11.2618 11.8789 11.8789 12.0263 12.0263 15.8663 15.8663 16.5698 16.5698 k = 0.3019-0.1743 0.2465 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9391 -34.9391 -34.3891 -34.3891 -33.7436 -33.7436 -33.7384 -33.7384 -3.9132 -3.9132 -3.9064 -3.9064 -3.4700 -3.4700 -3.4492 -3.4492 -3.4394 -3.4394 3.2377 3.2377 6.8915 6.8915 7.7725 7.7725 8.2278 8.2278 8.5825 8.5825 9.3255 9.3255 11.1311 11.1312 11.7460 11.7460 11.9065 11.9065 15.8955 15.8955 16.5554 16.5554 k = 0.3113-0.1797 0.2542 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9390 -34.9390 -34.3894 -34.3894 -33.7436 -33.7436 -33.7383 -33.7383 -3.9132 -3.9132 -3.9064 -3.9064 -3.4699 -3.4699 -3.4491 -3.4491 -3.4392 -3.4392 3.3063 3.3063 6.8488 6.8488 7.7975 7.7975 8.2547 8.2547 8.5921 8.5921 9.3347 9.3347 11.0021 11.0021 11.6159 11.6159 11.7889 11.7889 15.9237 15.9237 16.5416 16.5416 k = 0.3208-0.1852 0.2619 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9390 -34.9390 -34.3897 -34.3897 -33.7437 -33.7437 -33.7382 -33.7382 -3.9132 -3.9132 -3.9064 -3.9064 -3.4698 -3.4698 -3.4491 -3.4491 -3.4390 -3.4390 3.3759 3.3759 6.8041 6.8041 7.8231 7.8231 8.2821 8.2822 8.6058 8.6058 9.3439 9.3439 10.8751 10.8751 11.4890 11.4890 11.6734 11.6734 15.9508 15.9508 16.5286 16.5286 k = 0.3302-0.1906 0.2696 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9389 -34.3900 -34.3900 -33.7437 -33.7437 -33.7380 -33.7380 -3.9131 -3.9131 -3.9065 -3.9065 -3.4697 -3.4697 -3.4491 -3.4491 -3.4388 -3.4388 3.4465 3.4465 6.7576 6.7576 7.8493 7.8493 8.3101 8.3101 8.6234 8.6234 9.3531 9.3531 10.7503 10.7503 11.3653 11.3653 11.5599 11.5599 15.9768 15.9768 16.5162 16.5162 k = 0.3396-0.1961 0.2773 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9388 -34.9388 -34.3902 -34.3902 -33.7438 -33.7438 -33.7379 -33.7379 -3.9130 -3.9130 -3.9065 -3.9065 -3.4696 -3.4696 -3.4491 -3.4491 -3.4386 -3.4386 3.5178 3.5178 6.7095 6.7095 7.8761 7.8761 8.3384 8.3384 8.6450 8.6450 9.3623 9.3623 10.6284 10.6284 11.2450 11.2450 11.4486 11.4486 16.0018 16.0018 16.5042 16.5042 k = 0.3491-0.2015 0.2850 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9388 -34.9388 -34.3905 -34.3905 -33.7438 -33.7438 -33.7378 -33.7378 -3.9129 -3.9129 -3.9066 -3.9066 -3.4695 -3.4695 -3.4491 -3.4491 -3.4385 -3.4385 3.5897 3.5897 6.6598 6.6598 7.9035 7.9035 8.3669 8.3669 8.6703 8.6703 9.3716 9.3716 10.5095 10.5095 11.1281 11.1281 11.3395 11.3395 16.0258 16.0258 16.4928 16.4928 k = 0.3585-0.2070 0.2927 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9387 -34.9387 -34.3908 -34.3908 -33.7439 -33.7439 -33.7377 -33.7377 -3.9129 -3.9128 -3.9067 -3.9067 -3.4694 -3.4694 -3.4490 -3.4490 -3.4383 -3.4383 3.6620 3.6620 6.6088 6.6088 7.9316 7.9316 8.3957 8.3957 8.6992 8.6992 9.3809 9.3809 10.3943 10.3943 11.0149 11.0149 11.2327 11.2327 16.0488 16.0488 16.4817 16.4817 k = 0.3679-0.2124 0.3004 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9386 -34.9386 -34.3910 -34.3910 -33.7439 -33.7439 -33.7375 -33.7375 -3.9128 -3.9128 -3.9067 -3.9067 -3.4693 -3.4693 -3.4490 -3.4490 -3.4381 -3.4381 3.7342 3.7342 6.5568 6.5568 7.9604 7.9604 8.4245 8.4245 8.7312 8.7312 9.3903 9.3903 10.2832 10.2832 10.9052 10.9052 11.1283 11.1283 16.0708 16.0708 16.4710 16.4710 k = 0.3774-0.2179 0.3081 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9385 -34.9385 -34.3912 -34.3912 -33.7440 -33.7440 -33.7374 -33.7374 -3.9127 -3.9127 -3.9068 -3.9068 -3.4692 -3.4692 -3.4490 -3.4490 -3.4379 -3.4379 3.8062 3.8062 6.5039 6.5039 7.9899 7.9899 8.4531 8.4531 8.7661 8.7661 9.3998 9.3998 10.1768 10.1768 10.7993 10.7993 11.0263 11.0263 16.0919 16.0919 16.4606 16.4606 k = 0.3868-0.2233 0.3158 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3914 -34.3914 -33.7440 -33.7440 -33.7373 -33.7373 -3.9126 -3.9126 -3.9069 -3.9069 -3.4691 -3.4691 -3.4490 -3.4490 -3.4378 -3.4378 3.8776 3.8776 6.4504 6.4504 8.0203 8.0203 8.4812 8.4812 8.8035 8.8035 9.4094 9.4094 10.0756 10.0756 10.6973 10.6973 10.9270 10.9270 16.1121 16.1121 16.4504 16.4504 k = 0.3962-0.2288 0.3235 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3916 -34.3916 -33.7440 -33.7440 -33.7372 -33.7372 -3.9125 -3.9125 -3.9070 -3.9070 -3.4690 -3.4690 -3.4490 -3.4490 -3.4376 -3.4376 3.9478 3.9478 6.3969 6.3969 8.0514 8.0514 8.5083 8.5084 8.8431 8.8431 9.4193 9.4193 9.9803 9.9803 10.5993 10.5993 10.8304 10.8304 16.1313 16.1313 16.4404 16.4404 k = 0.4057-0.2342 0.3312 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3918 -34.3918 -33.7441 -33.7441 -33.7372 -33.7372 -3.9124 -3.9124 -3.9070 -3.9070 -3.4689 -3.4689 -3.4490 -3.4490 -3.4375 -3.4375 4.0166 4.0166 6.3436 6.3436 8.0833 8.0833 8.5339 8.5339 8.8844 8.8844 9.4294 9.4294 9.8916 9.8916 10.5057 10.5057 10.7368 10.7368 16.1496 16.1496 16.4305 16.4305 k = 0.4151-0.2397 0.3389 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3920 -34.3920 -33.7441 -33.7441 -33.7371 -33.7371 -3.9122 -3.9122 -3.9071 -3.9071 -3.4689 -3.4689 -3.4490 -3.4490 -3.4374 -3.4374 4.0831 4.0831 6.2912 6.2912 8.1161 8.1161 8.5570 8.5570 8.9269 8.9269 9.4398 9.4398 9.8103 9.8103 10.4169 10.4169 10.6465 10.6465 16.1671 16.1671 16.4207 16.4207 k = 0.4245-0.2451 0.3466 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3921 -34.3921 -33.7441 -33.7441 -33.7370 -33.7370 -3.9121 -3.9121 -3.9072 -3.9072 -3.4688 -3.4688 -3.4490 -3.4490 -3.4373 -3.4373 4.1468 4.1468 6.2403 6.2403 8.1494 8.1494 8.5769 8.5769 8.9702 8.9702 9.4504 9.4504 9.7373 9.7373 10.3333 10.3333 10.5597 10.5597 16.1837 16.1837 16.4111 16.4111 k = 0.4340-0.2505 0.3543 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3923 -34.3923 -33.7441 -33.7441 -33.7369 -33.7369 -3.9120 -3.9120 -3.9073 -3.9073 -3.4687 -3.4687 -3.4490 -3.4490 -3.4371 -3.4371 4.2069 4.2069 6.1916 6.1916 8.1832 8.1832 8.5926 8.5926 9.0138 9.0138 9.4608 9.4608 9.6736 9.6736 10.2558 10.2558 10.4769 10.4769 16.1993 16.1993 16.4016 16.4016 k = 0.4434-0.2560 0.3620 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3924 -34.3924 -33.7442 -33.7442 -33.7369 -33.7369 -3.9120 -3.9120 -3.9074 -3.9074 -3.4687 -3.4687 -3.4490 -3.4490 -3.4371 -3.4371 4.2624 4.2624 6.1461 6.1461 8.2172 8.2172 8.6031 8.6031 9.0568 9.0568 9.4706 9.4706 9.6200 9.6200 10.1855 10.1855 10.3987 10.3987 16.2139 16.2139 16.3923 16.3923 k = 0.4528-0.2614 0.3697 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3925 -34.3925 -33.7442 -33.7442 -33.7368 -33.7368 -3.9119 -3.9119 -3.9074 -3.9074 -3.4686 -3.4686 -3.4490 -3.4490 -3.4370 -3.4370 4.3123 4.3123 6.1047 6.1047 8.2507 8.2507 8.6080 8.6080 9.0985 9.0985 9.4785 9.4785 9.5778 9.5778 10.1239 10.1239 10.3257 10.3257 16.2275 16.2275 16.3833 16.3833 k = 0.4623-0.2669 0.3774 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3926 -34.3926 -33.7442 -33.7442 -33.7368 -33.7368 -3.9118 -3.9118 -3.9075 -3.9075 -3.4686 -3.4686 -3.4490 -3.4490 -3.4369 -3.4369 4.3554 4.3554 6.0686 6.0686 8.2830 8.2830 8.6074 8.6074 9.1374 9.1374 9.4823 9.4823 9.5482 9.5482 10.0729 10.0729 10.2592 10.2592 16.2398 16.2398 16.3747 16.3747 k = 0.4717-0.2723 0.3851 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3926 -34.3926 -33.7442 -33.7442 -33.7368 -33.7368 -3.9117 -3.9117 -3.9076 -3.9076 -3.4686 -3.4686 -3.4490 -3.4490 -3.4369 -3.4369 4.3906 4.3906 6.0388 6.0388 8.3126 8.3126 8.6021 8.6021 9.1720 9.1720 9.4804 9.4804 9.5314 9.5314 10.0346 10.0346 10.2007 10.2007 16.2506 16.2506 16.3668 16.3668 k = 0.4811-0.2778 0.3928 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3927 -34.3927 -33.7442 -33.7442 -33.7368 -33.7368 -3.9117 -3.9117 -3.9076 -3.9076 -3.4685 -3.4685 -3.4490 -3.4490 -3.4368 -3.4368 4.4167 4.4167 6.0166 6.0166 8.3374 8.3374 8.5943 8.5943 9.1997 9.1997 9.4757 9.4757 9.5231 9.5231 10.0100 10.0100 10.1529 10.1529 16.2592 16.2592 16.3603 16.3603 k = 0.4906-0.2832 0.4005 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3927 -34.3927 -33.7442 -33.7442 -33.7367 -33.7367 -3.9117 -3.9117 -3.9076 -3.9076 -3.4685 -3.4685 -3.4490 -3.4490 -3.4368 -3.4368 4.4328 4.4328 6.0029 6.0029 8.3545 8.3545 8.5873 8.5873 9.2179 9.2179 9.4725 9.4725 9.5183 9.5183 9.9982 9.9982 10.1201 10.1201 16.2649 16.2649 16.3558 16.3558 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3927 -34.3927 -33.7442 -33.7442 -33.7367 -33.7367 -3.9117 -3.9117 -3.9076 -3.9076 -3.4685 -3.4685 -3.4490 -3.4490 -3.4368 -3.4368 4.4382 4.4382 5.9982 5.9982 8.3607 8.3607 8.5844 8.5844 9.2243 9.2243 9.4716 9.4716 9.5164 9.5164 9.9952 9.9952 10.1080 10.1080 16.2669 16.2669 16.3542 16.3542 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3927 -34.3927 -33.7442 -33.7442 -33.7367 -33.7367 -3.9117 -3.9117 -3.9076 -3.9076 -3.4685 -3.4685 -3.4490 -3.4490 -3.4368 -3.4368 4.4382 4.4382 5.9982 5.9982 8.3607 8.3607 8.5844 8.5844 9.2243 9.2243 9.4716 9.4716 9.5164 9.5164 9.9952 9.9952 10.1080 10.1080 16.2669 16.2669 16.3542 16.3542 k = 0.5000-0.2780 0.4158 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3930 -34.3925 -33.7442 -33.7442 -33.7370 -33.7365 -3.9118 -3.9115 -3.9080 -3.9073 -3.4686 -3.4685 -3.4493 -3.4487 -3.4370 -3.4366 4.4354 4.4409 5.9986 6.0003 8.3443 8.3762 8.5705 8.5955 9.2221 9.2245 9.4017 9.4946 9.4959 9.5739 9.9723 10.0148 10.0903 10.1453 16.2677 16.2683 16.3562 16.3564 k = 0.5000-0.2673 0.4234 ( 6530 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3932 -34.3922 -33.7442 -33.7442 -33.7373 -33.7362 -3.9119 -3.9114 -3.9083 -3.9070 -3.4686 -3.4684 -3.4496 -3.4484 -3.4372 -3.4365 4.4323 4.4433 6.0015 6.0048 8.3270 8.3907 8.5532 8.6042 9.2181 9.2190 9.3205 9.4870 9.5020 9.6259 9.9629 10.0259 10.0858 10.2011 16.2705 16.2717 16.3623 16.3627 k = 0.5000-0.2566 0.4309 ( 6548 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3935 -34.3920 -33.7443 -33.7442 -33.7375 -33.7359 -3.9121 -3.9113 -3.9086 -3.9066 -3.4687 -3.4683 -3.4498 -3.4481 -3.4374 -3.4364 4.4290 4.4454 6.0069 6.0118 8.3087 8.4039 8.5321 8.6113 9.1807 9.2156 9.2658 9.4796 9.5063 9.6494 9.9799 10.0316 10.0918 10.2689 16.2755 16.2772 16.3727 16.3732 k = 0.5000-0.2459 0.4385 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3938 -34.3917 -33.7443 -33.7443 -33.7378 -33.7356 -3.9122 -3.9112 -3.9089 -3.9063 -3.4687 -3.4683 -3.4501 -3.4478 -3.4376 -3.4363 4.4255 4.4474 6.0147 6.0213 8.2891 8.4154 8.5070 8.6169 9.1011 9.2122 9.2520 9.4725 9.5086 9.6468 10.0130 10.0349 10.1155 10.3434 16.2825 16.2848 16.3872 16.3880 k = 0.5000-0.2352 0.4460 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3940 -34.3915 -33.7443 -33.7443 -33.7380 -33.7353 -3.9124 -3.9112 -3.9091 -3.9059 -3.4688 -3.4682 -3.4503 -3.4475 -3.4378 -3.4362 4.4218 4.4490 6.0249 6.0332 8.2678 8.4246 8.4782 8.6211 9.0117 9.2092 9.2487 9.4656 9.5082 9.6319 10.0367 10.0371 10.1687 10.4221 16.2917 16.2946 16.4060 16.4069 k = 0.5000-0.2245 0.4536 ( 6564 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3943 -34.3912 -33.7444 -33.7443 -33.7382 -33.7350 -3.9126 -3.9111 -3.9094 -3.9056 -3.4689 -3.4681 -3.4506 -3.4472 -3.4381 -3.4361 4.4180 4.4505 6.0376 6.0476 8.2438 8.4309 8.4465 8.6230 8.9240 9.2069 9.2472 9.4588 9.5046 9.6156 10.0387 10.0479 10.2438 10.5031 16.3029 16.3065 16.4291 16.4302 k = 0.5000-0.2138 0.4612 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3945 -34.3910 -33.7444 -33.7443 -33.7384 -33.7347 -3.9128 -3.9110 -3.9096 -3.9053 -3.4689 -3.4681 -3.4508 -3.4468 -3.4383 -3.4361 4.4141 4.4516 6.0527 6.0644 8.2158 8.4132 8.4329 8.6193 8.8448 9.2054 9.2459 9.4524 9.4974 9.6031 10.0400 10.0541 10.3282 10.5853 16.3162 16.3207 16.4565 16.4577 k = 0.5000-0.2031 0.4687 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3947 -34.3907 -33.7445 -33.7443 -33.7386 -33.7344 -3.9130 -3.9109 -3.9098 -3.9049 -3.4690 -3.4680 -3.4510 -3.4465 -3.4386 -3.4360 4.4102 4.4526 6.0702 6.0836 8.1824 8.3805 8.4281 8.6032 8.7845 9.2050 9.2442 9.4462 9.4871 9.5958 10.0411 10.0583 10.4157 10.6678 16.3317 16.3370 16.4884 16.4895 k = 0.5000-0.1925 0.4763 ( 6578 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3950 -34.3905 -33.7446 -33.7444 -33.7388 -33.7342 -3.9132 -3.9108 -3.9100 -3.9046 -3.4690 -3.4679 -3.4512 -3.4462 -3.4389 -3.4360 4.4061 4.4534 6.0901 6.1053 8.1421 8.3502 8.4110 8.5705 8.7536 9.2057 9.2418 9.4404 9.4754 9.5930 10.0419 10.0615 10.5037 10.7498 16.3492 16.3557 16.5246 16.5256 k = 0.5000-0.1818 0.4838 ( 6570 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3952 -34.3903 -33.7446 -33.7444 -33.7389 -33.7339 -3.9134 -3.9108 -3.9102 -3.9043 -3.4691 -3.4679 -3.4514 -3.4459 -3.4391 -3.4360 4.4021 4.4539 6.1124 6.1293 8.0945 8.3236 8.3724 8.5357 8.7471 9.2075 9.2387 9.4352 9.4637 9.5931 10.0426 10.0642 10.5907 10.8306 16.3688 16.3767 16.5654 16.5661 k = 0.5000-0.1711 0.4914 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9381 -34.3954 -34.3901 -33.7447 -33.7444 -33.7391 -33.7336 -3.9136 -3.9107 -3.9103 -3.9040 -3.4691 -3.4678 -3.4516 -3.4455 -3.4394 -3.4361 4.3980 4.4543 6.1369 6.1556 8.0400 8.3010 8.3101 8.5130 8.7532 9.2103 9.2348 9.4304 9.4530 9.5952 10.0431 10.0665 10.6757 10.9097 16.3904 16.3999 16.6105 16.6107 k = 0.5000-0.1604 0.4990 ( 6570 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3956 -34.3899 -33.7448 -33.7444 -33.7392 -33.7334 -3.9139 -3.9107 -3.9104 -3.9037 -3.4692 -3.4677 -3.4518 -3.4452 -3.4397 -3.4361 4.3940 4.4545 6.1637 6.1842 7.9800 8.2332 8.2818 8.5002 8.7656 9.2139 9.2300 9.4263 9.4435 9.5987 10.0434 10.0683 10.7582 10.9866 16.4141 16.4255 16.6595 16.6601 k = 0.5000-0.1497 0.5065 ( 6570 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3958 -34.3897 -33.7449 -33.7444 -33.7393 -33.7331 -3.9141 -3.9106 -3.9106 -3.9034 -3.4692 -3.4676 -3.4520 -3.4449 -3.4400 -3.4362 4.3901 4.4545 6.1928 6.2151 7.9157 8.1499 8.2655 8.4920 8.7814 9.2182 9.2243 9.4227 9.4353 9.6031 10.0436 10.0697 10.8374 11.0608 16.4396 16.4532 16.7124 16.7139 k = 0.5000-0.1390 0.5141 ( 6576 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3960 -34.3895 -33.7450 -33.7444 -33.7394 -33.7329 -3.9143 -3.9107 -3.9105 -3.9032 -3.4692 -3.4676 -3.4521 -3.4446 -3.4402 -3.4362 4.3862 4.4545 6.2240 6.2481 7.8486 8.0643 8.2514 8.4857 8.7992 9.2177 9.2229 9.4197 9.4284 9.6083 10.0435 10.0707 10.9131 11.1318 16.4669 16.4831 16.7691 16.7718 k = 0.5000-0.1283 0.5217 ( 6580 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3961 -34.3893 -33.7452 -33.7445 -33.7394 -33.7327 -3.9145 -3.9108 -3.9105 -3.9029 -3.4693 -3.4675 -3.4523 -3.4442 -3.4405 -3.4363 4.3825 4.4543 6.2572 6.2833 7.7796 7.9786 8.2391 8.4805 8.8184 9.2103 9.2278 9.4173 9.4226 9.6140 10.0432 10.0712 10.9847 11.1992 16.4958 16.5150 16.8293 16.8337 k = 0.5000-0.1176 0.5292 ( 6582 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3963 -34.3891 -33.7453 -33.7445 -33.7395 -33.7325 -3.9147 -3.9108 -3.9105 -3.9027 -3.4693 -3.4674 -3.4524 -3.4439 -3.4407 -3.4364 4.3790 4.4541 6.2924 6.3203 7.7097 7.8936 8.2282 8.4757 8.8384 9.2020 9.2328 9.4153 9.4178 9.6202 10.0427 10.0713 11.0519 11.2626 16.5259 16.5487 16.8927 16.8991 k = 0.5000-0.1069 0.5368 ( 6582 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3964 -34.3890 -33.7454 -33.7445 -33.7395 -33.7323 -3.9149 -3.9109 -3.9104 -3.9025 -3.4694 -3.4673 -3.4525 -3.4436 -3.4410 -3.4365 4.3757 4.4538 6.3295 6.3593 7.6395 7.8102 8.2187 8.4714 8.8589 9.1929 9.2377 9.4138 9.4139 9.6268 10.0421 10.0709 11.1144 11.3217 16.5571 16.5838 16.9587 16.9675 k = 0.5000-0.0962 0.5443 ( 6594 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3966 -34.3889 -33.7455 -33.7445 -33.7396 -33.7321 -3.9151 -3.9110 -3.9104 -3.9023 -3.4694 -3.4673 -3.4526 -3.4433 -3.4412 -3.4366 4.3725 4.4534 6.3682 6.3998 7.5698 7.7289 8.2103 8.4673 8.8797 9.1830 9.2423 9.4105 9.4128 9.6336 10.0413 10.0702 11.1718 11.3761 16.5888 16.6199 17.0265 17.0384 k = 0.5000-0.0855 0.5519 ( 6594 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3967 -34.3887 -33.7456 -33.7445 -33.7396 -33.7320 -3.9152 -3.9110 -3.9103 -3.9021 -3.4694 -3.4672 -3.4527 -3.4431 -3.4414 -3.4368 4.3697 4.4530 6.4083 6.4417 7.5011 7.6502 8.2029 8.4636 8.9005 9.1722 9.2467 9.4079 9.4121 9.6404 10.0404 10.0691 11.2240 11.4255 16.6206 16.6565 17.0954 17.1107 k = 0.5000-0.0748 0.5595 ( 6602 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3968 -34.3886 -33.7457 -33.7445 -33.7396 -33.7318 -3.9154 -3.9111 -3.9103 -3.9020 -3.4695 -3.4672 -3.4528 -3.4428 -3.4416 -3.4369 4.3671 4.4527 6.4494 6.4845 7.4342 7.5746 8.1964 8.4603 8.9212 9.1608 9.2506 9.4057 9.4117 9.6471 10.0395 10.0677 11.2706 11.4698 16.6518 16.6928 17.1640 17.1835 k = 0.5000-0.0642 0.5670 ( 6606 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3969 -34.3885 -33.7457 -33.7445 -33.7396 -33.7317 -3.9155 -3.9111 -3.9103 -3.9018 -3.4695 -3.4671 -3.4529 -3.4425 -3.4418 -3.4370 4.3648 4.4523 6.4911 6.5276 7.3698 7.5028 8.1909 8.4573 8.9417 9.1486 9.2541 9.4039 9.4114 9.6535 10.0386 10.0662 11.3114 11.5086 16.6817 16.7281 17.2307 17.2550 k = 0.5000-0.0535 0.5746 ( 6616 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3885 -33.7458 -33.7446 -33.7397 -33.7316 -3.9156 -3.9112 -3.9103 -3.9017 -3.4695 -3.4671 -3.4530 -3.4423 -3.4419 -3.4371 4.3629 4.4520 6.5325 6.5703 7.3088 7.4358 8.1863 8.4547 8.9617 9.1358 9.2570 9.4026 9.4114 9.6594 10.0377 10.0647 11.3462 11.5417 16.7093 16.7612 17.2937 17.3234 k = 0.5000-0.0428 0.5821 ( 6624 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3884 -33.7459 -33.7446 -33.7397 -33.7315 -3.9157 -3.9112 -3.9102 -3.9016 -3.4695 -3.4670 -3.4530 -3.4421 -3.4421 -3.4372 4.3612 4.4517 6.5725 6.6113 7.2527 7.3749 8.1826 8.4525 8.9811 9.1224 9.2595 9.4015 9.4114 9.6646 10.0368 10.0632 11.3749 11.5691 16.7338 16.7910 17.3507 17.3862 k = 0.5000-0.0321 0.5897 ( 6616 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3883 -33.7459 -33.7446 -33.7397 -33.7315 -3.9158 -3.9112 -3.9102 -3.9015 -3.4695 -3.4670 -3.4531 -3.4422 -3.4420 -3.4373 4.3599 4.4514 6.6093 6.6485 7.2032 7.3221 8.1797 8.4509 8.9997 9.1085 9.2614 9.4007 9.4114 9.6688 10.0362 10.0619 11.3974 11.5905 16.7542 16.8161 17.3990 17.4403 k = 0.5000-0.0214 0.5973 ( 6612 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7459 -33.7446 -33.7397 -33.7314 -3.9158 -3.9112 -3.9102 -3.9015 -3.4695 -3.4670 -3.4531 -3.4422 -3.4419 -3.4374 4.3590 4.4513 6.6400 6.6793 7.1633 7.2802 8.1776 8.4496 9.0171 9.0945 9.2627 9.4002 9.4115 9.6720 10.0356 10.0608 11.4135 11.6058 16.7696 16.8352 17.4361 17.4825 k = 0.5000-0.0107 0.6048 ( 6620 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9112 -3.9102 -3.9015 -3.4696 -3.4670 -3.4531 -3.4423 -3.4418 -3.4374 4.3585 4.4511 6.6610 6.7001 7.1368 7.2527 8.1764 8.4489 9.0320 9.0817 9.2635 9.3998 9.4115 9.6740 10.0353 10.0602 11.4232 11.6151 16.7792 16.8472 17.4594 17.5095 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9112 -3.9102 -3.9014 -3.4696 -3.4669 -3.4531 -3.4423 -3.4418 -3.4375 4.3583 4.4511 6.6686 6.7075 7.1274 7.2430 8.1760 8.4486 9.0392 9.0752 9.2638 9.3997 9.4116 9.6746 10.0352 10.0600 11.4264 11.6182 16.7824 16.8513 17.4674 17.5188 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9112 -3.9102 -3.9014 -3.4696 -3.4669 -3.4531 -3.4423 -3.4418 -3.4375 4.3583 4.4511 6.6686 6.7075 7.1274 7.2430 8.1760 8.4486 9.0392 9.0752 9.2638 9.3997 9.4116 9.6746 10.0352 10.0600 11.4264 11.6182 16.7824 16.8513 17.4674 17.5188 k = 0.4934 0.0114 0.6124 ( 6618 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9113 -3.9102 -3.9015 -3.4696 -3.4670 -3.4531 -3.4423 -3.4417 -3.4375 4.3573 4.4500 6.6651 6.7048 7.1325 7.2482 8.1761 8.4493 9.0308 9.0754 9.2602 9.3958 9.4214 9.6794 10.0249 10.0725 11.4260 11.6179 16.7777 16.8474 17.4641 17.5173 k = 0.4868 0.0228 0.6124 ( 6612 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9113 -3.9101 -3.9015 -3.4695 -3.4670 -3.4531 -3.4424 -3.4417 -3.4374 4.3547 4.4470 6.6549 6.6968 7.1474 7.2632 8.1763 8.4510 9.0069 9.0767 9.2499 9.3901 9.4418 9.6940 10.0087 10.0957 11.4246 11.6166 16.7630 16.8345 17.4558 17.5146 k = 0.4803 0.0342 0.6124 ( 6610 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3883 -33.7459 -33.7446 -33.7397 -33.7314 -3.9158 -3.9114 -3.9100 -3.9015 -3.4695 -3.4670 -3.4531 -3.4426 -3.4416 -3.4374 4.3507 4.4424 6.6396 6.6842 7.1711 7.2868 8.1766 8.4537 8.9734 9.0758 9.2343 9.3841 9.4673 9.7183 9.9932 10.1230 11.4218 11.6141 16.7380 16.8109 17.4462 17.5121 k = 0.4737 0.0456 0.6124 ( 6614 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3883 -33.7459 -33.7446 -33.7397 -33.7315 -3.9158 -3.9116 -3.9098 -3.9016 -3.4695 -3.4670 -3.4530 -3.4427 -3.4416 -3.4373 4.3456 4.4365 6.6208 6.6679 7.2018 7.3175 8.1768 8.4569 8.9348 9.0703 9.2158 9.3774 9.4950 9.7504 9.9800 10.1536 11.4175 11.6099 16.7030 16.7758 17.4390 17.5107 k = 0.4671 0.0570 0.6124 ( 6602 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3883 -33.7459 -33.7445 -33.7397 -33.7315 -3.9157 -3.9117 -3.9097 -3.9017 -3.4695 -3.4671 -3.4530 -3.4429 -3.4415 -3.4373 4.3396 4.4296 6.6000 6.6492 7.2381 7.3537 8.1766 8.4606 8.8932 9.0588 9.1971 9.3701 9.5229 9.7880 9.9703 10.1871 11.4113 11.6038 16.6596 16.7299 17.4361 17.5108 k = 0.4605 0.0684 0.6124 ( 6598 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3883 -33.7458 -33.7445 -33.7397 -33.7316 -3.9156 -3.9119 -3.9095 -3.9018 -3.4694 -3.4671 -3.4529 -3.4430 -3.4415 -3.4372 4.3329 4.4219 6.5783 6.6291 7.2785 7.3941 8.1761 8.4645 8.8504 9.0401 9.1806 9.3620 9.5498 9.8275 9.9665 10.2233 11.4031 11.5954 16.6095 16.6752 17.4381 17.5125 k = 0.4539 0.0798 0.6124 ( 6589 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3969 -34.3884 -33.7458 -33.7445 -33.7397 -33.7317 -3.9156 -3.9120 -3.9093 -3.9019 -3.4694 -3.4672 -3.4529 -3.4432 -3.4415 -3.4371 4.3258 4.4137 6.5566 6.6086 7.3220 7.4373 8.1748 8.4685 8.8073 9.0145 9.1675 9.3532 9.5746 9.8625 9.9737 10.2620 11.3929 11.5847 16.5547 16.6144 17.4444 17.5155 k = 0.4474 0.0912 0.6124 ( 6589 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3968 -34.3884 -33.7458 -33.7445 -33.7397 -33.7317 -3.9155 -3.9122 -3.9091 -3.9020 -3.4694 -3.4672 -3.4528 -3.4434 -3.4415 -3.4370 4.3186 4.4053 6.5355 6.5883 7.3677 7.4826 8.1726 8.4724 8.7646 8.9831 9.1579 9.3436 9.5971 9.8846 9.9990 10.3029 11.3804 11.5714 16.4974 16.5503 17.4537 17.5196 k = 0.4408 0.1026 0.6124 ( 6580 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3967 -34.3884 -33.7457 -33.7445 -33.7397 -33.7318 -3.9154 -3.9124 -3.9089 -3.9022 -3.4693 -3.4673 -3.4527 -3.4435 -3.4415 -3.4369 4.3113 4.3969 6.5154 6.5689 7.4148 7.5289 8.1691 8.4759 8.7232 8.9476 9.1511 9.3330 9.6168 9.8943 10.0410 10.3454 11.3659 11.5556 16.4395 16.4855 17.4650 17.5243 k = 0.4342 0.1140 0.6124 ( 6584 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3967 -34.3885 -33.7457 -33.7445 -33.7396 -33.7319 -3.9153 -3.9125 -3.9087 -3.9024 -3.4693 -3.4673 -3.4526 -3.4437 -3.4415 -3.4368 4.3041 4.3887 6.4967 6.5505 7.4627 7.5755 8.1641 8.4789 8.6838 8.9095 9.1467 9.3216 9.6339 9.8983 10.0915 10.3890 11.3495 11.5374 16.3827 16.4220 17.4771 17.5294 k = 0.4276 0.1253 0.6124 ( 6574 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3966 -34.3885 -33.7456 -33.7445 -33.7396 -33.7320 -3.9152 -3.9127 -3.9085 -3.9025 -3.4692 -3.4674 -3.4525 -3.4439 -3.4415 -3.4367 4.2974 4.3808 6.4797 6.5336 7.5109 7.6216 8.1571 8.4810 8.6473 8.8704 9.1442 9.3095 9.6484 9.9007 10.1451 10.4330 11.3315 11.5170 16.3284 16.3617 17.4894 17.5344 k = 0.4211 0.1367 0.6124 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3965 -34.3885 -33.7456 -33.7445 -33.7396 -33.7320 -3.9150 -3.9129 -3.9083 -3.9027 -3.4691 -3.4675 -3.4525 -3.4441 -3.4415 -3.4366 4.2910 4.3735 6.4643 6.5184 7.5588 7.6663 8.1476 8.4819 8.6148 8.8311 9.1434 9.2968 9.6604 9.9028 10.1992 10.4763 11.3124 11.4947 16.2780 16.3058 17.5012 17.5391 k = 0.4145 0.1481 0.6124 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3965 -34.3886 -33.7455 -33.7445 -33.7396 -33.7321 -3.9149 -3.9130 -3.9081 -3.9029 -3.4691 -3.4675 -3.4524 -3.4442 -3.4415 -3.4365 4.2853 4.3669 6.4509 6.5049 7.6059 7.7087 8.1355 8.4809 8.5876 8.7929 9.1441 9.2839 9.6702 9.9051 10.2518 10.5179 11.2929 11.4711 16.2325 16.2555 17.5122 17.5434 k = 0.4079 0.1595 0.6124 ( 6572 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3964 -34.3886 -33.7455 -33.7444 -33.7396 -33.7322 -3.9148 -3.9132 -3.9079 -3.9030 -3.4690 -3.4676 -3.4523 -3.4444 -3.4415 -3.4365 4.2803 4.3611 6.4394 6.4934 7.6515 7.7478 8.1206 8.4772 8.5672 8.7566 9.1462 9.2710 9.6781 9.9074 10.3014 10.5565 11.2739 11.4470 16.1927 16.2116 17.5219 17.5470 k = 0.4013 0.1709 0.6124 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3964 -34.3886 -33.7455 -33.7444 -33.7396 -33.7322 -3.9147 -3.9133 -3.9077 -3.9032 -3.4690 -3.4677 -3.4522 -3.4445 -3.4416 -3.4364 4.2761 4.3562 6.4300 6.4839 7.6946 7.7824 8.1033 8.4706 8.5543 8.7236 9.1495 9.2586 9.6842 9.9096 10.3461 10.5906 11.2565 11.4236 16.1593 16.1749 17.5303 17.5499 k = 0.3947 0.1823 0.6124 ( 6566 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3886 -33.7454 -33.7444 -33.7396 -33.7323 -3.9145 -3.9135 -3.9075 -3.9033 -3.4689 -3.4677 -3.4522 -3.4446 -3.4416 -3.4363 4.2727 4.3523 6.4226 6.4764 7.7338 7.8110 8.0847 8.4624 8.5480 8.6950 9.1535 9.2473 9.6888 9.9115 10.3841 10.6188 11.2418 11.4023 16.1328 16.1458 17.5373 17.5519 k = 0.3882 0.1937 0.6124 ( 6563 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9144 -3.9136 -3.9074 -3.9034 -3.4689 -3.4677 -3.4522 -3.4447 -3.4416 -3.4363 4.2703 4.3494 6.4173 6.4710 7.7668 7.8323 8.0670 8.4548 8.5461 8.6725 9.1576 9.2378 9.6920 9.9131 10.4134 10.6398 11.2307 11.3850 16.1136 16.1248 17.5426 17.5530 k = 0.3816 0.2051 0.6124 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9137 -3.9074 -3.9035 -3.4689 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2688 4.3477 6.4141 6.4678 7.7900 7.8449 8.0536 8.4497 8.5461 8.6578 9.1610 9.2313 9.6938 9.9140 10.4321 10.6528 11.2240 11.3735 16.1020 16.1120 17.5462 17.5534 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.3683 0.2126 0.6014 ( 6571 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3963 -34.3885 -33.7455 -33.7444 -33.7396 -33.7322 -3.9144 -3.9139 -3.9072 -3.9035 -3.4688 -3.4678 -3.4521 -3.4448 -3.4417 -3.4363 4.2448 4.3246 6.4556 6.5143 7.7424 7.7842 8.0379 8.4409 8.5329 8.6408 9.1547 9.2182 9.7281 9.9629 10.4430 10.6576 11.3195 11.4671 16.0780 16.0875 17.6633 17.6705 k = 0.3616 0.2088 0.5905 ( 6569 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3963 -34.3884 -33.7455 -33.7444 -33.7396 -33.7322 -3.9145 -3.9140 -3.9070 -3.9035 -3.4688 -3.4678 -3.4521 -3.4449 -3.4418 -3.4364 4.2191 4.2993 6.4992 6.5630 7.6889 7.7223 8.0287 8.4303 8.5257 8.6307 9.1481 9.2070 9.7633 10.0149 10.4461 10.6537 11.4196 11.5666 16.0571 16.0665 17.7803 17.7889 k = 0.3549 0.2049 0.5796 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3963 -34.3883 -33.7456 -33.7444 -33.7396 -33.7322 -3.9146 -3.9140 -3.9068 -3.9036 -3.4687 -3.4679 -3.4521 -3.4451 -3.4419 -3.4365 4.1909 4.2711 6.5435 6.6125 7.6384 7.6638 8.0210 8.4167 8.5240 8.6224 9.1428 9.1956 9.7992 10.0700 10.4484 10.6460 11.5218 11.6679 16.0355 16.0447 17.8977 17.9077 k = 0.3482 0.2010 0.5686 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9384 -34.3963 -34.3882 -33.7456 -33.7444 -33.7397 -33.7321 -3.9147 -3.9141 -3.9066 -3.9036 -3.4687 -3.4679 -3.4521 -3.4453 -3.4419 -3.4365 4.1603 4.2400 6.5881 6.6623 7.5915 7.6089 8.0149 8.4016 8.5261 8.6159 9.1394 9.1843 9.8348 10.1281 10.4512 10.6349 11.6258 11.7710 16.0131 16.0222 18.0146 18.0258 k = 0.3415 0.1972 0.5577 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3962 -34.3881 -33.7456 -33.7443 -33.7397 -33.7322 -3.9147 -3.9142 -3.9064 -3.9037 -3.4686 -3.4680 -3.4520 -3.4455 -3.4420 -3.4366 4.1273 4.2060 6.6327 6.7120 7.5483 7.5579 8.0106 8.3862 8.5304 8.6112 9.1383 9.1733 9.8691 10.1890 10.4557 10.6209 11.7315 11.8757 15.9901 15.9990 18.1298 18.1420 k = 0.3348 0.1933 0.5468 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3961 -34.3880 -33.7456 -33.7443 -33.7397 -33.7322 -3.9147 -3.9142 -3.9063 -3.9039 -3.4686 -3.4680 -3.4519 -3.4457 -3.4420 -3.4367 4.0918 4.1691 6.6768 6.7609 7.5092 7.5112 8.0081 8.3712 8.5360 8.6083 9.1402 9.1631 9.9007 10.2526 10.4635 10.6044 11.8389 11.9820 15.9664 15.9752 18.2420 18.2550 k = 0.3281 0.1894 0.5358 ( 6581 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9385 -34.3960 -34.3879 -33.7456 -33.7443 -33.7397 -33.7322 -3.9147 -3.9143 -3.9061 -3.9040 -3.4685 -3.4681 -3.4519 -3.4460 -3.4421 -3.4367 4.0538 4.1294 6.7201 6.8084 7.4691 7.4743 8.0074 8.3571 8.5418 8.6070 9.1456 9.1541 9.9283 10.3186 10.4764 10.5861 11.9477 12.0899 15.9421 15.9508 18.3496 18.3633 k = 0.3214 0.1856 0.5249 ( 6581 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3959 -34.3878 -33.7456 -33.7442 -33.7397 -33.7323 -3.9147 -3.9143 -3.9059 -3.9042 -3.4685 -3.4682 -3.4518 -3.4462 -3.4421 -3.4368 4.0135 4.0870 6.7621 6.8538 7.4318 7.4438 8.0088 8.3440 8.5472 8.6074 9.1465 9.1552 9.9508 10.3866 10.4958 10.5668 12.0580 12.1993 15.9174 15.9260 18.4507 18.4647 k = 0.3147 0.1817 0.5140 ( 6577 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9386 -34.3957 -34.3877 -33.7456 -33.7442 -33.7397 -33.7324 -3.9147 -3.9144 -3.9058 -3.9044 -3.4684 -3.4683 -3.4517 -3.4465 -3.4422 -3.4369 3.9709 4.0420 6.8023 6.8961 7.3997 7.4180 8.0121 8.3321 8.5516 8.6091 9.1410 9.1693 9.9675 10.4548 10.5231 10.5487 12.1696 12.3102 15.8921 15.9006 18.5415 18.5549 k = 0.3080 0.1778 0.5030 ( 6581 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3956 -34.3876 -33.7456 -33.7442 -33.7398 -33.7325 -3.9146 -3.9144 -3.9057 -3.9046 -3.4684 -3.4684 -3.4515 -3.4467 -3.4423 -3.4369 3.9260 3.9945 6.8403 6.9346 7.3732 7.3969 8.0173 8.3214 8.5545 8.6120 9.1380 9.1882 9.9787 10.5023 10.5532 10.5587 12.2826 12.4224 15.8664 15.8749 18.5947 18.5977 k = 0.3013 0.1740 0.4921 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3953 -34.3875 -33.7455 -33.7441 -33.7398 -33.7327 -3.9145 -3.9145 -3.9055 -3.9048 -3.4685 -3.4684 -3.4514 -3.4469 -3.4424 -3.4370 3.8791 3.9447 6.8756 6.9682 7.3528 7.3807 8.0243 8.3118 8.5555 8.6157 9.1382 9.2118 9.9853 10.4930 10.6026 10.6171 12.3967 12.5360 15.8404 15.8489 18.5217 18.5379 k = 0.2946 0.1701 0.4811 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9388 -34.3951 -34.3874 -33.7455 -33.7441 -33.7398 -33.7328 -3.9145 -3.9144 -3.9054 -3.9050 -3.4686 -3.4684 -3.4513 -3.4472 -3.4425 -3.4370 3.8302 3.8929 6.9078 6.9962 7.3386 7.3693 8.0329 8.3033 8.5547 8.6199 9.1420 9.2395 9.9892 10.4741 10.6541 10.6938 12.5120 12.6509 15.8140 15.8227 18.4510 18.4682 k = 0.2879 0.1662 0.4702 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9388 -34.9388 -34.3949 -34.3873 -33.7454 -33.7440 -33.7398 -33.7330 -3.9145 -3.9143 -3.9053 -3.9052 -3.4687 -3.4684 -3.4511 -3.4474 -3.4426 -3.4370 3.7796 3.8391 6.9368 7.0182 7.3309 7.3627 8.0429 8.2958 8.5521 8.6241 9.1499 9.2701 9.9928 10.4553 10.7123 10.7742 12.6284 12.7670 15.7874 15.7963 18.3826 18.3993 k = 0.2812 0.1624 0.4593 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9388 -34.3946 -34.3873 -33.7453 -33.7440 -33.7399 -33.7332 -3.9146 -3.9141 -3.9055 -3.9052 -3.4689 -3.4684 -3.4510 -3.4476 -3.4428 -3.4371 3.7273 3.7836 6.9624 7.0343 7.3291 7.3607 8.0538 8.2890 8.5479 8.6279 9.1622 9.3020 9.9989 10.4387 10.7765 10.8574 12.7459 12.8842 15.7606 15.7698 18.3164 18.3314 k = 0.2746 0.1585 0.4483 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9389 -34.3943 -34.3872 -33.7452 -33.7439 -33.7399 -33.7334 -3.9146 -3.9140 -3.9058 -3.9051 -3.4690 -3.4684 -3.4508 -3.4478 -3.4429 -3.4371 3.6736 3.7267 6.9847 7.0453 7.3323 7.3628 8.0653 8.2828 8.5427 8.6311 9.1787 9.3327 10.0108 10.4254 10.8457 10.9431 12.8643 13.0025 15.7337 15.7433 18.2517 18.2643 k = 0.2679 0.1546 0.4374 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9389 -34.3940 -34.3871 -33.7451 -33.7439 -33.7399 -33.7337 -3.9146 -3.9138 -3.9060 -3.9050 -3.4691 -3.4684 -3.4506 -3.4479 -3.4431 -3.4372 3.6187 3.6685 7.0041 7.0525 7.3389 7.3684 8.0769 8.2769 8.5369 8.6335 9.1991 9.3597 10.0316 10.4168 10.9195 11.0312 12.9835 13.1219 15.7067 15.7169 18.1881 18.1973 k = 0.2612 0.1508 0.4265 ( 6557 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3937 -34.3870 -33.7450 -33.7438 -33.7400 -33.7339 -3.9146 -3.9136 -3.9063 -3.9049 -3.4693 -3.4685 -3.4504 -3.4481 -3.4433 -3.4372 3.5627 3.6093 7.0210 7.0572 7.3477 7.3770 8.0881 8.2709 8.5311 8.6351 9.2225 9.3804 10.0644 10.4143 10.9973 11.1217 13.1036 13.2422 15.6798 15.6906 18.1248 18.1294 k = 0.2545 0.1469 0.4155 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9390 -34.3934 -34.3869 -33.7449 -33.7437 -33.7400 -33.7342 -3.9146 -3.9134 -3.9066 -3.9049 -3.4694 -3.4685 -3.4503 -3.4483 -3.4435 -3.4372 3.5058 3.5493 7.0360 7.0607 7.3575 7.3876 8.0985 8.2645 8.5260 8.6362 9.2475 9.3930 10.1112 10.4193 11.0788 11.2144 13.2244 13.3633 15.6531 15.6646 18.0595 18.0611 k = 0.2478 0.1430 0.4046 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9391 -34.3930 -34.3868 -33.7448 -33.7437 -33.7400 -33.7345 -3.9146 -3.9132 -3.9069 -3.9048 -3.4696 -3.4686 -3.4501 -3.4484 -3.4437 -3.4373 3.4483 3.4887 7.0496 7.0639 7.3673 7.3996 8.1076 8.2573 8.5220 8.6370 9.2726 9.3971 10.1726 10.4336 11.1637 11.3095 13.3458 13.4852 15.6265 15.6390 17.9861 17.9965 k = 0.2411 0.1392 0.3937 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3927 -34.3868 -33.7447 -33.7436 -33.7401 -33.7348 -3.9146 -3.9130 -3.9072 -3.9048 -3.4697 -3.4687 -3.4499 -3.4485 -3.4439 -3.4373 3.3903 3.4277 7.0624 7.0674 7.3767 7.4124 8.1152 8.2490 8.5199 8.6380 9.2961 9.3934 10.2479 10.4586 11.2517 11.4068 13.4677 13.6078 15.6002 15.6138 17.9074 17.9302 k = 0.2344 0.1353 0.3827 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9393 -34.9392 -34.3923 -34.3867 -33.7446 -33.7436 -33.7401 -33.7351 -3.9146 -3.9128 -3.9074 -3.9047 -3.4698 -3.4688 -3.4497 -3.4487 -3.4442 -3.4374 3.3320 3.3665 7.0716 7.0747 7.3854 7.4253 8.1209 8.2393 8.5199 8.6395 9.3165 9.3833 10.3360 10.4956 11.3426 11.5063 13.5900 13.7310 15.5743 15.5891 17.8213 17.8613 k = 0.2277 0.1315 0.3718 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9393 -34.9393 -34.3919 -34.3866 -33.7445 -33.7435 -33.7402 -33.7354 -3.9146 -3.9126 -3.9077 -3.9047 -3.4700 -3.4689 -3.4495 -3.4488 -3.4444 -3.4374 3.2736 3.3053 7.0768 7.0868 7.3931 7.4380 8.1245 8.2281 8.5224 8.6421 9.3325 9.3682 10.4351 10.5453 11.4363 11.6080 13.7125 13.8545 15.5489 15.5651 17.7261 17.7864 k = 0.2210 0.1276 0.3609 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9393 -34.3915 -34.3865 -33.7444 -33.7434 -33.7402 -33.7357 -3.9146 -3.9124 -3.9080 -3.9047 -3.4701 -3.4690 -3.4493 -3.4489 -3.4446 -3.4375 3.2153 3.2444 7.0831 7.0990 7.3998 7.4501 8.1259 8.2154 8.5276 8.6459 9.3436 9.3497 10.5439 10.6081 11.5327 11.7119 13.8352 13.9784 15.5240 15.5418 17.6219 17.6963 k = 0.2143 0.1237 0.3499 ( 6541 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9394 -34.3911 -34.3863 -33.7442 -33.7434 -33.7403 -33.7360 -3.9146 -3.9121 -3.9082 -3.9047 -3.4703 -3.4691 -3.4491 -3.4490 -3.4449 -3.4376 3.1572 3.1837 7.0904 7.1114 7.4055 7.4613 8.1250 8.2013 8.5353 8.6514 9.3288 9.3496 10.6610 10.6836 11.6317 11.8179 13.9578 14.1024 15.4997 15.5194 17.5102 17.5878 k = 0.2076 0.1199 0.3390 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9395 -34.9394 -34.3907 -34.3862 -33.7441 -33.7433 -33.7404 -33.7363 -3.9146 -3.9119 -3.9085 -3.9047 -3.4704 -3.4692 -3.4490 -3.4489 -3.4451 -3.4377 3.0995 3.1237 7.0989 7.1241 7.4102 7.4714 8.1218 8.1860 8.5456 8.6587 9.3067 9.3508 10.7711 10.7855 11.7332 11.9260 14.0802 14.2264 15.4763 15.4980 17.3934 17.4690 k = 0.2009 0.1160 0.3281 ( 6569 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9395 -34.9395 -34.3903 -34.3861 -33.7440 -33.7433 -33.7404 -33.7366 -3.9145 -3.9117 -3.9087 -3.9047 -3.4705 -3.4694 -3.4491 -3.4487 -3.4453 -3.4378 3.0423 3.0643 7.1084 7.1370 7.4140 7.4804 8.1166 8.1698 8.5582 8.6678 9.2840 9.3480 10.8697 10.9165 11.8370 12.0361 14.2021 14.3502 15.4536 15.4778 17.2736 17.3458 k = 0.1942 0.1121 0.3171 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9396 -34.9396 -34.3898 -34.3860 -33.7439 -33.7432 -33.7405 -33.7370 -3.9145 -3.9115 -3.9089 -3.9048 -3.4707 -3.4695 -3.4492 -3.4485 -3.4456 -3.4379 2.9858 3.0057 7.1189 7.1503 7.4170 7.4880 8.1094 8.1528 8.5729 8.6788 9.2614 9.3417 10.9783 11.0532 11.9432 12.1483 14.3232 14.4735 15.4319 15.4588 17.1525 17.2213 k = 0.1875 0.1083 0.3062 ( 6575 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9396 -34.3894 -34.3859 -33.7438 -33.7431 -33.7406 -33.7373 -3.9145 -3.9113 -3.9092 -3.9048 -3.4708 -3.4697 -3.4492 -3.4483 -3.4458 -3.4380 2.9302 2.9481 7.1302 7.1639 7.4191 7.4943 8.1006 8.1353 8.5896 8.6915 9.2392 9.3329 11.0958 11.1950 12.0517 12.2624 14.4433 14.5961 15.4113 15.4413 17.0312 17.0969 k = 0.1808 0.1044 0.2953 ( 6547 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9397 -34.3890 -34.3857 -33.7436 -33.7431 -33.7406 -33.7376 -3.9144 -3.9111 -3.9094 -3.9049 -3.4709 -3.4698 -3.4493 -3.4481 -3.4460 -3.4382 2.8755 2.8915 7.1423 7.1776 7.4204 7.4992 8.0903 8.1175 8.6079 8.7060 9.2181 9.3222 11.2210 11.3414 12.1624 12.3784 14.5618 14.7176 15.3919 15.4255 16.9108 16.9734 k = 0.1741 0.1005 0.2843 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9397 -34.3886 -34.3856 -33.7435 -33.7430 -33.7407 -33.7379 -3.9143 -3.9109 -3.9095 -3.9050 -3.4710 -3.4700 -3.4493 -3.4479 -3.4462 -3.4383 2.8219 2.8362 7.1550 7.1915 7.4210 7.5027 8.0789 8.0997 8.6278 8.7220 9.1981 9.3102 11.3531 11.4920 12.2752 12.4962 14.6782 14.8375 15.3740 15.4119 16.7918 16.8517 k = 0.1674 0.0967 0.2734 ( 6545 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9398 -34.9398 -34.3882 -34.3854 -33.7434 -33.7430 -33.7408 -33.7382 -3.9143 -3.9107 -3.9097 -3.9050 -3.4712 -3.4702 -3.4494 -3.4477 -3.4464 -3.4385 2.7695 2.7822 7.1682 7.2055 7.4208 7.5048 8.0665 8.0820 8.6491 8.7394 9.1795 9.2976 11.4912 11.6461 12.3901 12.6158 14.7916 14.9551 15.3579 15.4010 16.6749 16.7322 k = 0.1607 0.0928 0.2624 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9399 -34.9398 -34.3878 -34.3853 -33.7433 -33.7429 -33.7408 -33.7385 -3.9142 -3.9105 -3.9099 -3.9051 -3.4713 -3.4703 -3.4494 -3.4475 -3.4466 -3.4387 2.7184 2.7296 7.1817 7.2195 7.4201 7.5056 8.0536 8.0646 8.6714 8.7579 9.1626 9.2847 11.6345 11.8034 12.5070 12.7369 14.9006 15.0690 15.3448 15.3938 16.5604 16.6152 k = 0.1540 0.0889 0.2515 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9399 -34.9399 -34.3873 -34.3851 -33.7432 -33.7429 -33.7409 -33.7388 -3.9141 -3.9103 -3.9100 -3.9052 -3.4714 -3.4705 -3.4494 -3.4473 -3.4467 -3.4389 2.6687 2.6786 7.1955 7.2333 7.4187 7.5050 8.0402 8.0477 8.6948 8.7775 9.1474 9.2719 11.7823 11.9634 12.6260 12.8595 15.0028 15.1747 15.3387 15.3923 16.4491 16.5013 k = 0.1473 0.0851 0.2406 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9399 -34.9399 -34.3869 -34.3850 -33.7431 -33.7428 -33.7410 -33.7391 -3.9140 -3.9102 -3.9101 -3.9053 -3.4715 -3.4707 -3.4494 -3.4472 -3.4469 -3.4391 2.6205 2.6291 7.2094 7.2468 7.4168 7.5032 8.0267 8.0313 8.7189 8.7980 9.1340 9.2594 11.9341 12.1257 12.7469 12.9835 15.0938 15.2511 15.3600 15.4005 16.3413 16.3908 k = 0.1406 0.0812 0.2296 ( 6539 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3866 -34.3848 -33.7430 -33.7428 -33.7411 -33.7394 -3.9139 -3.9102 -3.9101 -3.9055 -3.4716 -3.4709 -3.4494 -3.4470 -3.4470 -3.4394 2.5738 2.5813 7.2232 7.2601 7.4145 7.5002 8.0132 8.0155 8.7438 8.8192 9.1225 9.2475 12.0893 12.2897 12.8697 13.1086 15.1660 15.2702 15.4247 15.4358 16.2380 16.2843 k = 0.1339 0.0773 0.2187 ( 6539 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3862 -34.3846 -33.7430 -33.7427 -33.7412 -33.7397 -3.9138 -3.9103 -3.9099 -3.9056 -3.4717 -3.4710 -3.4494 -3.4471 -3.4469 -3.4396 2.5289 2.5353 7.2369 7.2728 7.4117 7.4962 7.9999 8.0006 8.7690 8.8408 9.1127 9.2364 12.2472 12.4549 12.9944 13.2347 15.2129 15.2671 15.4702 15.5299 16.1404 16.1829 k = 0.1272 0.0735 0.2078 ( 6533 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3858 -34.3845 -33.7429 -33.7427 -33.7412 -33.7399 -3.9137 -3.9104 -3.9098 -3.9057 -3.4718 -3.4712 -3.4494 -3.4472 -3.4467 -3.4399 2.4856 2.4912 7.2502 7.2851 7.4085 7.4912 7.9865 7.9871 8.7947 8.8628 9.1047 9.2260 12.4075 12.6208 13.1210 13.3614 15.2378 15.2601 15.5310 15.6214 16.0511 16.0885 k = 0.1205 0.0696 0.1968 ( 6533 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3855 -34.3843 -33.7428 -33.7426 -33.7413 -33.7402 -3.9136 -3.9105 -3.9097 -3.9059 -3.4719 -3.4714 -3.4493 -3.4473 -3.4466 -3.4402 2.4442 2.4489 7.2631 7.2967 7.4051 7.4854 7.9734 7.9748 8.8204 8.8850 9.0985 9.2165 12.5695 12.7866 13.2495 13.4887 15.2500 15.2526 15.5914 15.7007 15.9762 16.0068 k = 0.1138 0.0657 0.1859 ( 6539 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9402 -34.9402 -34.3851 -34.3841 -33.7427 -33.7426 -33.7414 -33.7404 -3.9135 -3.9105 -3.9096 -3.9060 -3.4720 -3.4716 -3.4493 -3.4473 -3.4465 -3.4405 2.4047 2.4087 7.2754 7.3075 7.4014 7.4788 7.9612 7.9632 8.8462 8.9073 9.0939 9.2079 12.7327 12.9515 13.3799 13.6160 15.2456 15.2564 15.6297 15.7465 15.9301 15.9576 k = 0.1071 0.0619 0.1750 ( 6539 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9402 -34.9402 -34.3848 -34.3840 -33.7427 -33.7426 -33.7415 -33.7406 -3.9133 -3.9105 -3.9096 -3.9062 -3.4721 -3.4717 -3.4492 -3.4474 -3.4464 -3.4408 2.3671 2.3704 7.2870 7.3175 7.3976 7.4718 7.9501 7.9525 8.8718 8.9293 9.0907 9.2001 12.8966 13.1147 13.5125 13.7430 15.2393 15.2605 15.6235 15.7272 15.9314 15.9717 k = 0.1004 0.0580 0.1640 ( 6539 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9402 -34.9402 -34.3845 -34.3838 -33.7426 -33.7425 -33.7415 -33.7409 -3.9132 -3.9106 -3.9095 -3.9064 -3.4722 -3.4719 -3.4492 -3.4474 -3.4463 -3.4411 2.3315 2.3342 7.2980 7.3266 7.3937 7.4643 7.9401 7.9426 8.8971 8.9511 9.0890 9.1931 13.0606 13.2751 13.6471 13.8692 15.2337 15.2640 15.5787 15.6675 15.9722 16.0237 k = 0.0938 0.0541 0.1531 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3842 -34.3837 -33.7426 -33.7425 -33.7416 -33.7411 -3.9130 -3.9106 -3.9095 -3.9066 -3.4723 -3.4720 -3.4491 -3.4474 -3.4462 -3.4415 2.2980 2.3002 7.3080 7.3349 7.3898 7.4564 7.9313 7.9336 8.9219 8.9723 9.0885 9.1870 13.2241 13.4316 13.7838 13.9941 15.2286 15.2677 15.5182 15.5992 16.0287 16.0814 k = 0.0871 0.0503 0.1422 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3840 -34.3835 -33.7425 -33.7425 -33.7417 -33.7412 -3.9128 -3.9106 -3.9094 -3.9068 -3.4724 -3.4722 -3.4490 -3.4473 -3.4461 -3.4418 2.2666 2.2683 7.3172 7.3421 7.3859 7.4484 7.9235 7.9257 8.9461 8.9930 9.0891 9.1815 13.3862 13.5830 13.9224 14.1169 15.2238 15.2720 15.4543 15.5324 16.0875 16.1346 k = 0.0804 0.0464 0.1312 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9403 -34.3837 -34.3833 -33.7425 -33.7425 -33.7418 -33.7414 -3.9126 -3.9105 -3.9094 -3.9070 -3.4725 -3.4723 -3.4489 -3.4473 -3.4461 -3.4422 2.2373 2.2387 7.3255 7.3484 7.3822 7.4403 7.9168 7.9187 8.9694 9.0128 9.0906 9.1766 13.5460 13.7283 14.0624 14.2370 15.2184 15.2765 15.3927 15.4710 16.1431 16.1801 k = 0.0737 0.0425 0.1203 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3835 -34.3832 -33.7425 -33.7424 -33.7418 -33.7416 -3.9125 -3.9105 -3.9094 -3.9072 -3.4726 -3.4724 -3.4488 -3.4473 -3.4460 -3.4425 2.2102 2.2113 7.3329 7.3538 7.3787 7.4323 7.9111 7.9128 8.9918 9.0316 9.0930 9.1723 13.7026 13.8665 14.2028 14.3534 15.2114 15.2786 15.3386 15.4175 16.1926 16.2169 k = 0.0670 0.0387 0.1094 ( 6545 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3833 -34.3831 -33.7424 -33.7424 -33.7419 -33.7417 -3.9123 -3.9105 -3.9094 -3.9074 -3.4727 -3.4726 -3.4486 -3.4472 -3.4460 -3.4429 2.1853 2.1861 7.3394 7.3582 7.3755 7.4244 7.9065 7.9078 9.0130 9.0493 9.0960 9.1684 13.8545 13.9969 14.3420 14.4652 15.2010 15.2601 15.3117 15.3750 16.2342 16.2448 k = 0.0603 0.0348 0.0984 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3831 -34.3829 -33.7424 -33.7424 -33.7420 -33.7418 -3.9120 -3.9104 -3.9094 -3.9076 -3.4727 -3.4727 -3.4485 -3.4471 -3.4460 -3.4432 2.1627 2.1633 7.3450 7.3618 7.3727 7.4168 7.9027 7.9037 9.0329 9.0658 9.0995 9.1648 14.0002 14.1186 14.4778 14.5712 15.1854 15.2187 15.3155 15.3462 16.2646 16.2667 k = 0.0536 0.0309 0.0875 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3829 -34.3828 -33.7424 -33.7424 -33.7420 -33.7419 -3.9118 -3.9104 -3.9095 -3.9079 -3.4728 -3.4728 -3.4483 -3.4470 -3.4460 -3.4436 2.1424 2.1428 7.3497 7.3647 7.3703 7.4094 7.8996 7.9004 9.0513 9.0807 9.1034 9.1615 14.1373 14.2307 14.6075 14.6706 15.1652 15.1783 15.3274 15.3321 16.2773 16.2891 k = 0.0469 0.0271 0.0765 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3828 -34.3827 -33.7424 -33.7423 -33.7421 -33.7420 -3.9116 -3.9103 -3.9095 -3.9081 -3.4729 -3.4728 -3.4481 -3.4470 -3.4460 -3.4440 2.1244 2.1247 7.3537 7.3668 7.3683 7.4025 7.8973 7.8979 9.0682 9.0941 9.1076 9.1584 14.2633 14.3320 14.7277 14.7621 15.1436 15.1441 15.3311 15.3432 16.2839 16.3012 k = 0.0402 0.0232 0.0656 ( 6527 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3826 -34.3826 -33.7423 -33.7423 -33.7421 -33.7421 -3.9114 -3.9103 -3.9095 -3.9084 -3.4729 -3.4729 -3.4479 -3.4469 -3.4460 -3.4443 2.1088 2.1089 7.3571 7.3669 7.3684 7.3960 7.8956 7.8959 9.0833 9.1058 9.1120 9.1554 14.3749 14.4211 14.8344 14.8449 15.1178 15.1245 15.3416 15.3625 16.2854 16.3034 k = 0.0335 0.0193 0.0547 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3825 -34.3825 -33.7423 -33.7423 -33.7422 -33.7422 -3.9111 -3.9102 -3.9096 -3.9086 -3.4730 -3.4730 -3.4477 -3.4468 -3.4460 -3.4447 2.0955 2.0956 7.3597 7.3661 7.3694 7.3900 7.8943 7.8945 9.0966 9.1156 9.1165 9.1524 14.4686 14.4962 14.9181 14.9235 15.0999 15.1106 15.3627 15.3853 16.2823 16.2973 k = 0.0268 0.0155 0.0437 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3825 -34.3824 -33.7423 -33.7423 -33.7422 -33.7422 -3.9109 -3.9102 -3.9096 -3.9089 -3.4730 -3.4730 -3.4474 -3.4467 -3.4461 -3.4450 2.0846 2.0847 7.3618 7.3660 7.3700 7.3846 7.8934 7.8935 9.1079 9.1210 9.1235 9.1493 14.5421 14.5561 14.9807 14.9923 15.0904 15.1027 15.3929 15.4112 16.2752 16.2851 k = 0.0201 0.0116 0.0328 ( 6541 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7423 -33.7422 -3.9106 -3.9101 -3.9097 -3.9091 -3.4731 -3.4731 -3.4472 -3.4466 -3.4461 -3.4454 2.0761 2.0761 7.3634 7.3665 7.3702 7.3798 7.8928 7.8928 9.1171 9.1254 9.1294 9.1461 14.5948 14.6004 15.0311 15.0413 15.0880 15.0999 15.4280 15.4388 16.2650 16.2700 k = 0.0134 0.0077 0.0219 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7423 -33.7423 -3.9104 -3.9100 -3.9097 -3.9094 -3.4731 -3.4731 -3.4469 -3.4465 -3.4462 -3.4457 2.0700 2.0700 7.3649 7.3674 7.3701 7.3756 7.8924 7.8924 9.1244 9.1295 9.1333 9.1426 14.6285 14.6301 15.0679 15.0735 15.0902 15.0997 15.4608 15.4648 16.2537 16.2554 k = 0.0067 0.0039 0.0109 ( 6585 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9406 -34.9406 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9101 -3.9099 -3.9098 -3.9096 -3.4731 -3.4731 -3.4466 -3.4464 -3.4462 -3.4460 2.0664 2.0664 7.3668 7.3683 7.3697 7.3720 7.8922 7.8922 9.1301 9.1328 9.1351 9.1389 14.6467 14.6469 15.0900 15.0919 15.0942 15.0995 15.4837 15.4842 16.2447 16.2449 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9099 -3.9099 -3.9099 -3.9099 -3.4731 -3.4731 -3.4463 -3.4463 -3.4463 -3.4463 2.0652 2.0652 7.3691 7.3691 7.3691 7.3691 7.8921 7.8921 9.1349 9.1349 9.1349 9.1349 14.6523 14.6523 15.0977 15.0977 15.0977 15.0977 15.4917 15.4917 16.2411 16.2411 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9099 -3.9099 -3.9099 -3.9099 -3.4731 -3.4731 -3.4463 -3.4463 -3.4463 -3.4463 2.0652 2.0652 7.3691 7.3691 7.3691 7.3691 7.8921 7.8921 9.1349 9.1349 9.1349 9.1349 14.6523 14.6523 15.0977 15.0977 15.0977 15.0977 15.4917 15.4917 16.2411 16.2411 k = 0.0109 0.0063 0.0044 ( 6585 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9406 -34.9406 -34.3823 -34.3823 -33.7423 -33.7423 -33.7423 -33.7423 -3.9101 -3.9099 -3.9099 -3.9096 -3.4731 -3.4731 -3.4466 -3.4463 -3.4463 -3.4460 2.0664 2.0664 7.3667 7.3690 7.3690 7.3721 7.8922 7.8922 9.1301 9.1339 9.1339 9.1391 14.6468 14.6468 15.0908 15.0908 15.0942 15.1000 15.4841 15.4841 16.2447 16.2447 k = 0.0217 0.0126 0.0089 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7423 -33.7423 -3.9104 -3.9099 -3.9099 -3.9094 -3.4731 -3.4731 -3.4469 -3.4463 -3.4463 -3.4457 2.0700 2.0700 7.3650 7.3686 7.3686 7.3758 7.8924 7.8924 9.1249 9.1311 9.1311 9.1428 14.6293 14.6293 15.0707 15.0707 15.0896 15.1011 15.4637 15.4637 16.2541 16.2541 k = 0.0326 0.0188 0.0133 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7423 -33.7423 -3.9107 -3.9099 -3.9099 -3.9091 -3.4731 -3.4731 -3.4472 -3.4464 -3.4464 -3.4453 2.0760 2.0760 7.3639 7.3679 7.3679 7.3801 7.8928 7.8928 9.1193 9.1265 9.1265 9.1460 14.5967 14.5967 15.0396 15.0396 15.0837 15.1010 15.4360 15.4360 16.2657 16.2657 k = 0.0435 0.0251 0.0177 ( 6528 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3824 -34.3824 -33.7423 -33.7423 -33.7422 -33.7422 -3.9109 -3.9099 -3.9099 -3.9088 -3.4730 -3.4730 -3.4475 -3.4464 -3.4464 -3.4450 2.0844 2.0844 7.3634 7.3669 7.3669 7.3851 7.8935 7.8935 9.1133 9.1200 9.1200 9.1488 14.5443 14.5443 15.0024 15.0024 15.0764 15.0995 15.4067 15.4067 16.2761 16.2761 k = 0.0543 0.0314 0.0222 ( 6528 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3825 -34.3825 -33.7423 -33.7423 -33.7422 -33.7422 -3.9112 -3.9099 -3.9099 -3.9086 -3.4730 -3.4730 -3.4477 -3.4464 -3.4464 -3.4446 2.0952 2.0952 7.3636 7.3654 7.3654 7.3905 7.8945 7.8945 9.1070 9.1118 9.1118 9.1512 14.4681 14.4681 14.9652 14.9652 15.0676 15.0967 15.3790 15.3790 16.2825 16.2825 k = 0.0652 0.0377 0.0266 ( 6531 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3826 -34.3826 -33.7423 -33.7423 -33.7421 -33.7421 -3.9114 -3.9099 -3.9099 -3.9083 -3.4729 -3.4729 -3.4479 -3.4465 -3.4465 -3.4443 2.1083 2.1083 7.3634 7.3634 7.3643 7.3965 7.8959 7.8959 9.1004 9.1020 9.1020 9.1532 14.3668 14.3668 14.9323 14.9323 15.0572 15.0923 15.3540 15.3540 16.2838 16.2838 k = 0.0761 0.0439 0.0311 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9405 -34.9405 -34.3827 -34.3827 -33.7423 -33.7423 -33.7421 -33.7421 -3.9116 -3.9099 -3.9099 -3.9081 -3.4729 -3.4729 -3.4481 -3.4465 -3.4465 -3.4439 2.1238 2.1238 7.3608 7.3608 7.3656 7.4030 7.8978 7.8978 9.0907 9.0907 9.0937 9.1550 14.2433 14.2433 14.9046 14.9046 15.0449 15.0861 15.3316 15.3316 16.2801 16.2801 k = 0.0870 0.0502 0.0355 ( 6528 PWs) bands (ev): -80.3629 -80.3629 -47.2382 -47.2382 -34.9404 -34.9404 -34.3829 -34.3829 -33.7424 -33.7424 -33.7420 -33.7420 -3.9119 -3.9099 -3.9099 -3.9078 -3.4728 -3.4728 -3.4483 -3.4466 -3.4466 -3.4435 2.1416 2.1416 7.3575 7.3575 7.3673 7.4098 7.9004 7.9004 9.0779 9.0779 9.0870 9.1566 14.1020 14.1020 14.8807 14.8807 15.0305 15.0780 15.3114 15.3114 16.2721 16.2721 k = 0.0978 0.0565 0.0399 ( 6534 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3830 -34.3830 -33.7424 -33.7424 -33.7419 -33.7419 -3.9121 -3.9099 -3.9099 -3.9076 -3.4727 -3.4727 -3.4484 -3.4466 -3.4466 -3.4431 2.1617 2.1617 7.3533 7.3533 7.3695 7.4170 7.9038 7.9038 9.0639 9.0639 9.0804 9.1581 13.9474 13.9474 14.8585 14.8585 15.0139 15.0676 15.2927 15.2927 16.2612 16.2612 k = 0.1087 0.0628 0.0444 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3832 -34.3832 -33.7424 -33.7424 -33.7418 -33.7418 -3.9123 -3.9099 -3.9099 -3.9074 -3.4726 -3.4726 -3.4486 -3.4467 -3.4467 -3.4428 2.1840 2.1840 7.3483 7.3483 7.3720 7.4244 7.9081 7.9081 9.0486 9.0486 9.0741 9.1596 13.7832 13.7832 14.8360 14.8360 14.9948 15.0548 15.2754 15.2754 16.2487 16.2487 k = 0.1196 0.0690 0.0488 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9404 -34.9404 -34.3833 -34.3833 -33.7424 -33.7424 -33.7417 -33.7417 -3.9125 -3.9100 -3.9100 -3.9072 -3.4725 -3.4725 -3.4487 -3.4468 -3.4468 -3.4424 2.2086 2.2086 7.3422 7.3422 7.3749 7.4320 7.9132 7.9132 9.0325 9.0325 9.0682 9.1612 13.6122 13.6122 14.8116 14.8116 14.9729 15.0394 15.2593 15.2593 16.2360 16.2360 k = 0.1304 0.0753 0.0532 ( 6537 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3835 -34.3835 -33.7424 -33.7424 -33.7416 -33.7416 -3.9126 -3.9100 -3.9100 -3.9070 -3.4724 -3.4724 -3.4488 -3.4468 -3.4468 -3.4420 2.2353 2.2353 7.3351 7.3351 7.3781 7.4397 7.9194 7.9194 9.0154 9.0154 9.0628 9.1631 13.4366 13.4366 14.7842 14.7842 14.9482 15.0209 15.2443 15.2443 16.2242 16.2242 k = 0.1413 0.0816 0.0577 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3837 -34.3837 -33.7424 -33.7424 -33.7415 -33.7415 -3.9128 -3.9100 -3.9100 -3.9068 -3.4723 -3.4723 -3.4488 -3.4469 -3.4469 -3.4417 2.2642 2.2642 7.3268 7.3268 7.3814 7.4473 7.9266 7.9266 8.9978 8.9978 9.0581 9.1654 13.2579 13.2579 14.7527 14.7527 14.9202 14.9993 15.2304 15.2304 16.2143 16.2143 k = 0.1522 0.0879 0.0621 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3839 -34.3839 -33.7425 -33.7425 -33.7414 -33.7414 -3.9129 -3.9100 -3.9100 -3.9066 -3.4722 -3.4722 -3.4488 -3.4470 -3.4470 -3.4413 2.2952 2.2952 7.3174 7.3174 7.3848 7.4548 7.9349 7.9349 8.9797 8.9797 9.0543 9.1681 13.0776 13.0776 14.7165 14.7165 14.8890 14.9742 15.2177 15.2177 16.2070 16.2070 k = 0.1630 0.0941 0.0666 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9403 -34.9403 -34.3841 -34.3841 -33.7425 -33.7425 -33.7413 -33.7413 -3.9131 -3.9100 -3.9100 -3.9065 -3.4721 -3.4721 -3.4488 -3.4471 -3.4471 -3.4410 2.3282 2.3282 7.3069 7.3069 7.3883 7.4621 7.9441 7.9441 8.9613 8.9613 9.0516 9.1715 12.8965 12.8965 14.6752 14.6752 14.8544 14.9455 15.2063 15.2063 16.2029 16.2029 k = 0.1739 0.1004 0.0710 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2383 -47.2383 -34.9402 -34.9402 -34.3844 -34.3844 -33.7425 -33.7425 -33.7412 -33.7412 -3.9132 -3.9101 -3.9101 -3.9063 -3.4719 -3.4719 -3.4488 -3.4472 -3.4472 -3.4407 2.3632 2.3632 7.2953 7.2953 7.3918 7.4690 7.9542 7.9542 8.9428 8.9428 9.0500 9.1756 12.7156 12.7156 14.6287 14.6287 14.8164 14.9129 15.1962 15.1962 16.2021 16.2021 k = 0.1848 0.1067 0.0754 ( 6564 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9402 -34.9402 -34.3846 -34.3846 -33.7425 -33.7425 -33.7411 -33.7411 -3.9133 -3.9101 -3.9101 -3.9062 -3.4718 -3.4718 -3.4488 -3.4473 -3.4473 -3.4404 2.4000 2.4000 7.2826 7.2826 7.3953 7.4755 7.9651 7.9651 8.9245 8.9245 9.0498 9.1805 12.5357 12.5357 14.5770 14.5770 14.7749 14.8766 15.1874 15.1874 16.2046 16.2046 k = 0.1957 0.1130 0.0799 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9402 -34.9402 -34.3848 -34.3848 -33.7426 -33.7426 -33.7409 -33.7409 -3.9134 -3.9101 -3.9101 -3.9061 -3.4717 -3.4717 -3.4487 -3.4474 -3.4474 -3.4401 2.4386 2.4386 7.2688 7.2688 7.3985 7.4814 7.9766 7.9766 8.9065 8.9065 9.0510 9.1863 12.3572 12.3572 14.5205 14.5205 14.7300 14.8363 15.1800 15.1800 16.2104 16.2104 k = 0.2065 0.1192 0.0843 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3851 -34.3851 -33.7426 -33.7426 -33.7408 -33.7408 -3.9134 -3.9101 -3.9101 -3.9060 -3.4715 -3.4715 -3.4486 -3.4475 -3.4475 -3.4398 2.4790 2.4790 7.2542 7.2542 7.4016 7.4867 7.9885 7.9885 8.8891 8.8891 9.0539 9.1930 12.1808 12.1808 14.4595 14.4595 14.6818 14.7921 15.1740 15.1740 16.2191 16.2191 k = 0.2174 0.1255 0.0887 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9401 -34.9401 -34.3853 -34.3853 -33.7426 -33.7426 -33.7407 -33.7407 -3.9135 -3.9101 -3.9101 -3.9059 -3.4714 -3.4714 -3.4485 -3.4477 -3.4477 -3.4395 2.5210 2.5210 7.2388 7.2388 7.4045 7.4913 8.0006 8.0006 8.8724 8.8724 9.0584 9.2009 12.0069 12.0069 14.3946 14.3946 14.6306 14.7443 15.1693 15.1693 16.2303 16.2303 k = 0.2283 0.1318 0.0932 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3856 -34.3856 -33.7426 -33.7426 -33.7405 -33.7405 -3.9135 -3.9102 -3.9102 -3.9059 -3.4712 -3.4712 -3.4483 -3.4478 -3.4478 -3.4393 2.5644 2.5644 7.2226 7.2226 7.4071 7.4952 8.0128 8.0128 8.8567 8.8567 9.0647 9.2098 11.8361 11.8361 14.3264 14.3264 14.5765 14.6929 15.1657 15.1657 16.2437 16.2437 k = 0.2391 0.1381 0.0976 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9400 -34.9400 -34.3859 -34.3859 -33.7427 -33.7427 -33.7404 -33.7404 -3.9135 -3.9102 -3.9102 -3.9058 -3.4711 -3.4711 -3.4482 -3.4479 -3.4479 -3.4390 2.6093 2.6093 7.2057 7.2057 7.4094 7.4983 8.0247 8.0247 8.8421 8.8421 9.0728 9.2199 11.6688 11.6688 14.2554 14.2554 14.5199 14.6383 15.1633 15.1633 16.2587 16.2587 k = 0.2500 0.1443 0.1021 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2384 -47.2384 -34.9399 -34.9399 -34.3861 -34.3861 -33.7427 -33.7427 -33.7402 -33.7402 -3.9135 -3.9102 -3.9102 -3.9058 -3.4709 -3.4709 -3.4480 -3.4480 -3.4480 -3.4388 2.6554 2.6554 7.1883 7.1883 7.4113 7.5005 8.0360 8.0360 8.8289 8.8289 9.0827 9.2310 11.5055 11.5055 14.1822 14.1822 14.4611 14.5807 15.1620 15.1620 16.2752 16.2752 k = 0.2609 0.1506 0.1065 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9399 -34.9399 -34.3864 -34.3864 -33.7427 -33.7427 -33.7401 -33.7401 -3.9135 -3.9103 -3.9103 -3.9058 -3.4708 -3.4708 -3.4482 -3.4482 -3.4478 -3.4386 2.7027 2.7027 7.1705 7.1705 7.4129 7.5018 8.0467 8.0467 8.8170 8.8170 9.0945 9.2433 11.3464 11.3464 14.1075 14.1075 14.4005 14.5207 15.1615 15.1615 16.2925 16.2925 k = 0.2717 0.1569 0.1109 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9399 -34.9399 -34.3866 -34.3866 -33.7427 -33.7427 -33.7400 -33.7400 -3.9135 -3.9103 -3.9103 -3.9058 -3.4706 -3.4706 -3.4483 -3.4483 -3.4475 -3.4384 2.7508 2.7508 7.1523 7.1523 7.4142 7.5023 8.0563 8.0563 8.8066 8.8066 9.1081 9.2567 11.1922 11.1922 14.0317 14.0317 14.3385 14.4585 15.1619 15.1619 16.3105 16.3105 k = 0.2826 0.1632 0.1154 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9398 -34.9398 -34.3869 -34.3869 -33.7428 -33.7428 -33.7398 -33.7398 -3.9134 -3.9103 -3.9103 -3.9059 -3.4705 -3.4705 -3.4484 -3.4484 -3.4473 -3.4383 2.7998 2.7998 7.1339 7.1339 7.4151 7.5020 8.0648 8.0648 8.7978 8.7978 9.1234 9.2710 11.0432 11.0432 13.9554 13.9554 14.2755 14.3947 15.1631 15.1631 16.3195 16.3216 k = 0.2935 0.1694 0.1198 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9398 -34.9398 -34.3871 -34.3871 -33.7428 -33.7428 -33.7397 -33.7397 -3.9133 -3.9103 -3.9103 -3.9059 -3.4703 -3.4703 -3.4486 -3.4486 -3.4470 -3.4382 2.8493 2.8493 7.1152 7.1152 7.4157 7.5009 8.0720 8.0720 8.7904 8.7904 9.1404 9.2863 10.8998 10.8998 13.8792 13.8792 14.2119 14.3297 15.1648 15.1648 16.3074 16.3078 k = 0.3043 0.1757 0.1242 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9397 -34.3874 -34.3874 -33.7428 -33.7428 -33.7396 -33.7396 -3.9132 -3.9104 -3.9104 -3.9060 -3.4702 -3.4702 -3.4487 -3.4487 -3.4467 -3.4381 2.8992 2.8992 7.0965 7.0965 7.4161 7.4990 8.0777 8.0777 8.7843 8.7843 9.1589 9.3023 10.7627 10.7627 13.8034 13.8034 14.1483 14.2640 15.1672 15.1672 16.2949 16.2973 k = 0.3152 0.1820 0.1287 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2385 -47.2385 -34.9397 -34.9397 -34.3876 -34.3876 -33.7428 -33.7428 -33.7394 -33.7394 -3.9131 -3.9104 -3.9104 -3.9061 -3.4701 -3.4701 -3.4488 -3.4488 -3.4464 -3.4380 2.9492 2.9492 7.0778 7.0778 7.4161 7.4964 8.0819 8.0819 8.7794 8.7794 9.1788 9.3190 10.6322 10.6322 13.7285 13.7285 14.0850 14.1981 15.1699 15.1699 16.2838 16.2878 k = 0.3261 0.1883 0.1331 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9397 -34.9397 -34.3879 -34.3879 -33.7429 -33.7429 -33.7393 -33.7393 -3.9130 -3.9104 -3.9104 -3.9061 -3.4699 -3.4699 -3.4489 -3.4489 -3.4461 -3.4380 2.9991 2.9991 7.0592 7.0592 7.4160 7.4933 8.0847 8.0847 8.7752 8.7752 9.1998 9.3362 10.5089 10.5089 13.6550 13.6550 14.0226 14.1324 15.1731 15.1731 16.2740 16.2792 k = 0.3370 0.1945 0.1376 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9396 -34.9396 -34.3881 -34.3881 -33.7429 -33.7429 -33.7392 -33.7392 -3.9128 -3.9104 -3.9104 -3.9063 -3.4698 -3.4698 -3.4491 -3.4491 -3.4458 -3.4379 3.0486 3.0486 7.0407 7.0407 7.4156 7.4895 8.0860 8.0860 8.7715 8.7715 9.2219 9.3537 10.3932 10.3932 13.5833 13.5833 13.9614 14.0675 15.1765 15.1765 16.2654 16.2716 k = 0.3478 0.2008 0.1420 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9396 -34.9396 -34.3883 -34.3883 -33.7429 -33.7429 -33.7391 -33.7391 -3.9127 -3.9105 -3.9105 -3.9064 -3.4697 -3.4697 -3.4492 -3.4492 -3.4454 -3.4379 3.0975 3.0975 7.0225 7.0225 7.4152 7.4853 8.0860 8.0860 8.7676 8.7676 9.2447 9.3714 10.2858 10.2858 13.5139 13.5139 13.9018 14.0037 15.1801 15.1801 16.2580 16.2648 k = 0.3587 0.2071 0.1464 ( 6538 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9395 -34.9395 -34.3885 -34.3885 -33.7429 -33.7429 -33.7389 -33.7389 -3.9125 -3.9105 -3.9105 -3.9065 -3.4695 -3.4695 -3.4493 -3.4493 -3.4451 -3.4380 3.1453 3.1453 7.0047 7.0047 7.4146 7.4808 8.0849 8.0849 8.7633 8.7633 9.2680 9.3889 10.1871 10.1871 13.4470 13.4470 13.8444 13.9416 15.1839 15.1839 16.2515 16.2587 k = 0.3696 0.2134 0.1509 ( 6538 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9395 -34.9395 -34.3887 -34.3887 -33.7430 -33.7430 -33.7388 -33.7388 -3.9123 -3.9105 -3.9105 -3.9067 -3.4694 -3.4694 -3.4494 -3.4494 -3.4447 -3.4380 3.1918 3.1918 6.9873 6.9873 7.4141 7.4760 8.0828 8.0828 8.7580 8.7580 9.2916 9.4060 10.0975 10.0975 13.3831 13.3831 13.7896 13.8816 15.1877 15.1877 16.2459 16.2532 k = 0.3804 0.2196 0.1553 ( 6538 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9395 -34.9395 -34.3889 -34.3889 -33.7430 -33.7430 -33.7387 -33.7387 -3.9121 -3.9105 -3.9105 -3.9069 -3.4693 -3.4693 -3.4495 -3.4495 -3.4443 -3.4381 3.2366 3.2366 6.9705 6.9705 7.4135 7.4709 8.0800 8.0800 8.7514 8.7514 9.3153 9.4226 10.0174 10.0174 13.3225 13.3225 13.7377 13.8240 15.1914 15.1914 16.2412 16.2484 k = 0.3913 0.2259 0.1597 ( 6541 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9394 -34.3891 -34.3891 -33.7430 -33.7430 -33.7386 -33.7386 -3.9119 -3.9106 -3.9106 -3.9071 -3.4692 -3.4692 -3.4496 -3.4496 -3.4440 -3.4382 3.2794 3.2794 6.9544 6.9544 7.4131 7.4658 8.0765 8.0765 8.7433 8.7433 9.3386 9.4383 9.9468 9.9468 13.2658 13.2658 13.6892 13.7694 15.1951 15.1951 16.2371 16.2441 k = 0.4022 0.2322 0.1642 ( 6538 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9394 -34.3892 -34.3892 -33.7430 -33.7430 -33.7386 -33.7386 -3.9117 -3.9106 -3.9106 -3.9073 -3.4691 -3.4691 -3.4497 -3.4497 -3.4436 -3.4383 3.3197 3.3197 6.9391 6.9391 7.4128 7.4606 8.0727 8.0727 8.7336 8.7336 9.3614 9.4530 9.8858 9.8858 13.2131 13.2131 13.6444 13.7181 15.1986 15.1986 16.2337 16.2404 k = 0.4130 0.2385 0.1686 ( 6538 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9394 -34.3894 -34.3894 -33.7430 -33.7430 -33.7385 -33.7385 -3.9115 -3.9106 -3.9106 -3.9075 -3.4690 -3.4690 -3.4498 -3.4498 -3.4432 -3.4385 3.3571 3.3571 6.9248 6.9248 7.4126 7.4555 8.0687 8.0687 8.7224 8.7224 9.3834 9.4663 9.8341 9.8341 13.1648 13.1648 13.6037 13.6705 15.2019 15.2019 16.2309 16.2370 k = 0.4239 0.2447 0.1731 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2386 -47.2386 -34.9394 -34.9394 -34.3895 -34.3895 -33.7430 -33.7430 -33.7384 -33.7384 -3.9112 -3.9106 -3.9106 -3.9077 -3.4690 -3.4690 -3.4498 -3.4498 -3.4428 -3.4386 3.3914 3.3914 6.9116 6.9116 7.4127 7.4505 8.0647 8.0647 8.7102 8.7102 9.4043 9.4780 9.7912 9.7912 13.1214 13.1214 13.5676 13.6270 15.2049 15.2049 16.2285 16.2341 k = 0.4348 0.2510 0.1775 ( 6532 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9394 -34.9394 -34.3896 -34.3896 -33.7430 -33.7430 -33.7384 -33.7384 -3.9110 -3.9106 -3.9106 -3.9079 -3.4689 -3.4689 -3.4499 -3.4499 -3.4425 -3.4388 3.4220 3.4220 6.8997 6.8997 7.4131 7.4456 8.0609 8.0609 8.6976 8.6976 9.4239 9.4879 9.7564 9.7564 13.0830 13.0830 13.5361 13.5878 15.2077 15.2077 16.2267 16.2316 k = 0.4457 0.2573 0.1819 ( 6532 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3897 -34.3897 -33.7431 -33.7431 -33.7383 -33.7383 -3.9107 -3.9106 -3.9106 -3.9082 -3.4688 -3.4688 -3.4500 -3.4500 -3.4421 -3.4390 3.4486 3.4486 6.8893 6.8893 7.4138 7.4410 8.0573 8.0573 8.6852 8.6852 9.4418 9.4958 9.7289 9.7289 13.0500 13.0500 13.5098 13.5534 15.2100 15.2100 16.2253 16.2295 k = 0.4565 0.2636 0.1864 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3898 -34.3898 -33.7431 -33.7431 -33.7383 -33.7383 -3.9106 -3.9106 -3.9105 -3.9084 -3.4688 -3.4688 -3.4500 -3.4500 -3.4417 -3.4393 3.4709 3.4709 6.8805 6.8805 7.4148 7.4366 8.0542 8.0542 8.6738 8.6738 9.4578 9.5015 9.7078 9.7078 13.0226 13.0226 13.4887 13.5240 15.2120 15.2120 16.2242 16.2277 k = 0.4674 0.2698 0.1908 ( 6532 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3899 -34.3899 -33.7431 -33.7431 -33.7382 -33.7382 -3.9106 -3.9106 -3.9102 -3.9086 -3.4687 -3.4687 -3.4501 -3.4501 -3.4414 -3.4395 3.4886 3.4886 6.8735 6.8735 7.4161 7.4326 8.0517 8.0517 8.6641 8.6641 9.4718 9.5048 9.6924 9.6924 13.0011 13.0011 13.4731 13.4998 15.2136 15.2136 16.2235 16.2262 k = 0.4783 0.2761 0.1952 ( 6544 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3899 -34.3899 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9100 -3.9089 -3.4687 -3.4687 -3.4501 -3.4501 -3.4410 -3.4398 3.5014 3.5014 6.8684 6.8684 7.4179 7.4289 8.0498 8.0498 8.6567 8.6567 9.4835 9.5056 9.6819 9.6819 12.9856 12.9856 13.4632 13.4811 15.2147 15.2147 16.2232 16.2250 k = 0.4891 0.2824 0.1997 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3900 -34.3900 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9097 -3.9092 -3.4687 -3.4687 -3.4501 -3.4501 -3.4407 -3.4401 3.5092 3.5092 6.8652 6.8652 7.4200 7.4255 8.0486 8.0486 8.6520 8.6520 9.4928 9.5039 9.6759 9.6759 12.9762 12.9762 13.4590 13.4680 15.2154 15.2154 16.2232 16.2241 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3900 -34.3900 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9094 -3.9094 -3.4687 -3.4687 -3.4501 -3.4501 -3.4404 -3.4404 3.5118 3.5118 6.8642 6.8642 7.4226 7.4226 8.0482 8.0482 8.6504 8.6504 9.4996 9.4996 9.6739 9.6739 12.9731 12.9731 13.4606 13.4606 15.2157 15.2157 16.2235 16.2235 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3900 -34.3900 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9094 -3.9094 -3.4687 -3.4687 -3.4501 -3.4501 -3.4404 -3.4404 3.5118 3.5118 6.8642 6.8642 7.4226 7.4226 8.0482 8.0482 8.6504 8.6504 9.4996 9.4996 9.6739 9.6739 12.9731 12.9731 13.4606 13.4606 15.2157 15.2157 16.2235 16.2235 k = 0.5039 0.2774 0.2105 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3902 -34.3897 -33.7431 -33.7431 -33.7384 -33.7379 -3.9108 -3.9106 -3.9094 -3.9094 -3.4687 -3.4687 -3.4502 -3.4500 -3.4404 -3.4404 3.5114 3.5146 6.8638 6.8650 7.4227 7.4227 8.0479 8.0483 8.6450 8.6558 9.4994 9.4995 9.6675 9.6792 12.9585 12.9729 13.4522 13.4525 15.2199 15.2276 16.2288 16.2288 k = 0.5078 0.2661 0.2169 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3904 -34.3895 -33.7431 -33.7431 -33.7387 -33.7377 -3.9110 -3.9107 -3.9092 -3.9092 -3.4688 -3.4686 -3.4502 -3.4500 -3.4404 -3.4404 3.5135 3.5198 6.8637 6.8662 7.4230 7.4231 8.0472 8.0483 8.6395 8.6611 9.4987 9.4990 9.6600 9.6837 12.9288 12.9582 13.4274 13.4294 15.2398 15.2544 16.2447 16.2449 k = 0.5117 0.2548 0.2233 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3907 -34.3893 -33.7431 -33.7431 -33.7389 -33.7374 -3.9112 -3.9109 -3.9091 -3.9090 -3.4688 -3.4686 -3.4503 -3.4499 -3.4404 -3.4404 3.5180 3.5274 6.8640 6.8678 7.4236 7.4237 8.0462 8.0481 8.6340 8.6663 9.4975 9.4983 9.6513 9.6874 12.8841 12.9298 13.3876 13.3938 15.2732 15.2932 16.2713 16.2721 k = 0.5156 0.2436 0.2296 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3909 -34.3891 -33.7432 -33.7432 -33.7390 -33.7371 -3.9114 -3.9111 -3.9089 -3.9087 -3.4688 -3.4686 -3.4503 -3.4499 -3.4404 -3.4403 3.5249 3.5374 6.8646 6.8698 7.4242 7.4245 8.0450 8.0480 8.6284 8.6714 9.4956 9.4974 9.6414 9.6905 12.8250 12.8882 13.3356 13.3488 15.3166 15.3405 16.3088 16.3107 k = 0.5195 0.2323 0.2360 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3912 -34.3889 -33.7433 -33.7432 -33.7392 -33.7368 -3.9117 -3.9113 -3.9087 -3.9084 -3.4688 -3.4685 -3.4504 -3.4498 -3.4403 -3.4403 3.5342 3.5498 6.8655 6.8721 7.4249 7.4255 8.0435 8.0482 8.6228 8.6763 9.4928 9.4964 9.6304 9.6933 12.7527 12.8342 13.2743 13.2967 15.3663 15.3925 16.3576 16.3611 k = 0.5234 0.2210 0.2424 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9392 -34.3915 -34.3888 -33.7434 -33.7433 -33.7394 -33.7365 -3.9120 -3.9115 -3.9085 -3.9081 -3.4688 -3.4685 -3.4504 -3.4497 -3.4403 -3.4402 3.5458 3.5645 6.8664 6.8746 7.4256 7.4266 8.0418 8.0487 8.6171 8.6809 9.4891 9.4952 9.6184 9.6959 12.6689 12.7688 13.2064 13.2394 15.4189 15.4460 16.4177 16.4234 k = 0.5273 0.2097 0.2488 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3918 -34.3886 -33.7435 -33.7433 -33.7395 -33.7362 -3.9122 -3.9117 -3.9083 -3.9078 -3.4688 -3.4685 -3.4505 -3.4496 -3.4403 -3.4401 3.5597 3.5816 6.8674 6.8774 7.4262 7.4278 8.0400 8.0499 8.6113 8.6851 9.4844 9.4938 9.6055 9.6988 12.5756 12.6932 13.1340 13.1782 15.4714 15.4984 16.4889 16.4973 k = 0.5312 0.1985 0.2552 ( 6560 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3920 -34.3885 -33.7436 -33.7434 -33.7396 -33.7359 -3.9124 -3.9119 -3.9081 -3.9075 -3.4688 -3.4684 -3.4505 -3.4495 -3.4403 -3.4400 3.5758 3.6008 6.8682 6.8802 7.4267 7.4290 8.0384 8.0519 8.6054 8.6890 9.4785 9.4919 9.5922 9.7020 12.4747 12.6089 13.0588 13.1139 15.5221 15.5480 16.5707 16.5822 k = 0.5352 0.1872 0.2615 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3923 -34.3884 -33.7437 -33.7434 -33.7396 -33.7356 -3.9127 -3.9121 -3.9079 -3.9073 -3.4688 -3.4684 -3.4506 -3.4494 -3.4403 -3.4399 3.5942 3.6223 6.8687 6.8829 7.4271 7.4301 8.0369 8.0549 8.5995 8.6923 9.4714 9.4891 9.5790 9.7059 12.3681 12.5173 12.9817 13.0468 15.5696 15.5939 16.6621 16.6771 k = 0.5391 0.1759 0.2679 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3926 -34.3883 -33.7438 -33.7435 -33.7397 -33.7353 -3.9129 -3.9123 -3.9078 -3.9070 -3.4688 -3.4684 -3.4507 -3.4492 -3.4403 -3.4398 3.6147 3.6459 6.8688 6.8853 7.4273 7.4312 8.0357 8.0593 8.5935 8.6949 9.4630 9.4845 9.5671 9.7106 12.2575 12.4202 12.9033 12.9774 15.6137 15.6359 16.7619 16.7807 k = 0.5430 0.1646 0.2743 ( 6548 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3929 -34.3882 -33.7440 -33.7435 -33.7397 -33.7351 -3.9131 -3.9125 -3.9076 -3.9067 -3.4688 -3.4684 -3.4508 -3.4491 -3.4403 -3.4396 3.6372 3.6715 6.8680 6.8873 7.4275 7.4323 8.0350 8.0652 8.5875 8.6968 9.4533 9.4770 9.5577 9.7165 12.1443 12.3190 12.8238 12.9060 15.6543 15.6742 16.8689 16.8917 k = 0.5469 0.1534 0.2807 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9390 -34.3931 -34.3881 -33.7441 -33.7436 -33.7398 -33.7348 -3.9133 -3.9127 -3.9074 -3.9064 -3.4688 -3.4684 -3.4508 -3.4489 -3.4403 -3.4395 3.6617 3.6990 6.8663 6.8886 7.4278 7.4334 8.0348 8.0727 8.5816 8.6977 9.4424 9.4657 9.5522 9.7236 12.0298 12.2150 12.7434 12.8328 15.6917 15.7091 16.9817 17.0087 k = 0.5508 0.1421 0.2870 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3934 -34.3880 -33.7443 -33.7437 -33.7398 -33.7345 -3.9135 -3.9128 -3.9073 -3.9061 -3.4687 -3.4684 -3.4509 -3.4488 -3.4404 -3.4393 3.6880 3.7284 6.8632 6.8888 7.4285 7.4346 8.0354 8.0821 8.5758 8.6977 9.4302 9.4504 9.5506 9.7320 11.9149 12.1092 12.6624 12.7582 15.7262 15.7412 17.0993 17.1307 k = 0.5547 0.1308 0.2934 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3937 -34.3879 -33.7444 -33.7437 -33.7398 -33.7343 -3.9137 -3.9130 -3.9072 -3.9059 -3.4687 -3.4684 -3.4510 -3.4486 -3.4404 -3.4391 3.7161 3.7595 6.8584 6.8877 7.4296 7.4363 8.0366 8.0934 8.5702 8.6965 9.4170 9.4320 9.5527 9.7419 11.8005 12.0028 12.5809 12.6823 15.7583 15.7707 17.2207 17.2566 k = 0.5586 0.1195 0.2998 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9389 -34.3939 -34.3879 -33.7446 -33.7438 -33.7398 -33.7340 -3.9138 -3.9131 -3.9071 -3.9056 -3.4686 -3.4684 -3.4511 -3.4484 -3.4404 -3.4390 3.7458 3.7922 6.8516 6.8847 7.4317 7.4386 8.0386 8.1066 8.5650 8.6940 9.4028 9.4113 9.5576 9.7533 11.6873 11.8963 12.4989 12.6054 15.7882 15.7982 17.3448 17.3857 k = 0.5625 0.1083 0.3062 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9389 -34.3942 -34.3879 -33.7447 -33.7439 -33.7398 -33.7338 -3.9140 -3.9133 -3.9070 -3.9054 -3.4686 -3.4684 -3.4512 -3.4482 -3.4405 -3.4388 3.7770 3.8263 6.8424 6.8795 7.4351 7.4421 8.0412 8.1219 8.5604 8.6902 9.3879 9.3892 9.5649 9.7661 11.5757 11.7906 12.4167 12.5278 15.8162 15.8239 17.4707 17.5172 k = 0.5664 0.0970 0.3126 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9388 -34.3944 -34.3879 -33.7448 -33.7439 -33.7398 -33.7336 -3.9141 -3.9134 -3.9069 -3.9051 -3.4685 -3.4684 -3.4513 -3.4480 -3.4406 -3.4386 3.8095 3.8617 6.8305 6.8718 7.4402 7.4470 8.0443 8.1391 8.5565 8.6850 9.3662 9.3723 9.5742 9.7803 11.4665 11.6861 12.3345 12.4497 15.8426 15.8481 17.5969 17.6503 k = 0.5703 0.0857 0.3189 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9388 -34.3947 -34.3879 -33.7449 -33.7440 -33.7398 -33.7334 -3.9142 -3.9135 -3.9068 -3.9049 -3.4685 -3.4685 -3.4514 -3.4477 -3.4406 -3.4383 3.8431 3.8982 6.8158 6.8610 7.4472 7.4538 8.0477 8.1582 8.5537 8.6783 9.3428 9.3564 9.5853 9.7959 11.3599 11.5834 12.2523 12.3714 15.8675 15.8710 17.7214 17.7841 k = 0.5742 0.0744 0.3253 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9387 -34.3949 -34.3879 -33.7451 -33.7440 -33.7398 -33.7332 -3.9143 -3.9136 -3.9068 -3.9047 -3.4685 -3.4684 -3.4515 -3.4475 -3.4407 -3.4381 3.8776 3.9355 6.7980 6.8471 7.4567 7.4630 8.0513 8.1790 8.5521 8.6702 9.3194 9.3403 9.5980 9.8128 11.2564 11.4828 12.1704 12.2930 15.8911 15.8927 17.8402 17.9162 k = 0.5781 0.0631 0.3317 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3951 -34.3879 -33.7451 -33.7441 -33.7398 -33.7330 -3.9144 -3.9137 -3.9067 -3.9045 -3.4685 -3.4683 -3.4516 -3.4472 -3.4408 -3.4379 3.9128 3.9735 6.7772 6.8297 7.4687 7.4749 8.0547 8.2013 8.5519 8.6605 9.2963 9.3243 9.6121 9.8307 11.1565 11.3849 12.0889 12.2148 15.9133 15.9135 17.9450 18.0387 k = 0.5820 0.0519 0.3381 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3953 -34.3879 -33.7452 -33.7441 -33.7398 -33.7329 -3.9145 -3.9138 -3.9067 -3.9043 -3.4685 -3.4683 -3.4516 -3.4470 -3.4409 -3.4377 3.9485 4.0119 6.7534 6.8090 7.4834 7.4898 8.0576 8.2250 8.5535 8.6495 9.2740 9.3085 9.6273 9.8494 11.0604 11.2899 12.0081 12.1370 15.9330 15.9347 18.0224 18.1223 k = 0.5859 0.0406 0.3445 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3955 -34.3880 -33.7453 -33.7442 -33.7397 -33.7327 -3.9145 -3.9138 -3.9067 -3.9042 -3.4686 -3.4682 -3.4517 -3.4467 -3.4410 -3.4375 3.9844 4.0503 6.7268 6.7850 7.5010 7.5079 8.0598 8.2497 8.5568 8.6372 9.2527 9.2933 9.6433 9.8686 10.9686 11.1984 11.9280 12.0597 15.9517 15.9549 18.0613 18.1422 k = 0.5898 0.0293 0.3508 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3956 -34.3880 -33.7454 -33.7442 -33.7397 -33.7326 -3.9146 -3.9139 -3.9067 -3.9040 -3.4686 -3.4681 -3.4518 -3.4465 -3.4411 -3.4373 4.0201 4.0884 6.6978 6.7579 7.5214 7.5293 8.0611 8.2753 8.5621 8.6237 9.2328 9.2788 9.6596 9.8880 10.8815 11.1108 11.8490 11.9833 15.9696 15.9740 18.0632 18.1220 k = 0.5938 0.0180 0.3572 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9385 -34.3958 -34.3881 -33.7454 -33.7443 -33.7397 -33.7325 -3.9146 -3.9139 -3.9067 -3.9039 -3.4686 -3.4681 -3.4519 -3.4462 -3.4412 -3.4372 4.0553 4.1259 6.6668 6.7283 7.5445 7.5541 8.0613 8.3012 8.5692 8.6095 9.2147 9.2653 9.6758 9.9069 10.7997 11.0279 11.7711 11.9079 15.9866 15.9922 18.0380 18.0800 k = 0.5977 0.0068 0.3636 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3959 -34.3881 -33.7455 -33.7443 -33.7397 -33.7324 -3.9146 -3.9139 -3.9068 -3.9038 -3.4687 -3.4680 -3.4519 -3.4459 -3.4413 -3.4370 4.0897 4.1624 6.6342 6.6965 7.5703 7.5822 8.0604 8.3272 8.5781 8.5947 9.1986 9.2531 9.6912 9.9245 10.7239 10.9503 11.6947 11.8336 16.0029 16.0095 17.9951 18.0254 k = 0.6016-0.0045 0.3700 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3960 -34.3882 -33.7455 -33.7443 -33.7397 -33.7323 -3.9146 -3.9139 -3.9068 -3.9037 -3.4687 -3.4680 -3.4520 -3.4457 -3.4414 -3.4368 4.1228 4.1975 6.6006 6.6631 7.5986 7.6136 8.0585 8.3527 8.5799 8.5883 9.1849 9.2426 9.7048 9.9400 10.6549 10.8790 11.6199 11.7608 16.0185 16.0259 17.9412 17.9634 k = 0.6055-0.0158 0.3764 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9384 -34.3961 -34.3883 -33.7455 -33.7444 -33.7397 -33.7323 -3.9146 -3.9139 -3.9069 -3.9036 -3.4687 -3.4679 -3.4520 -3.4454 -3.4415 -3.4367 4.1542 4.2305 6.5665 6.6288 7.6290 7.6480 8.0556 8.3771 8.5658 8.5996 9.1738 9.2339 9.7158 9.9521 10.5935 10.8153 11.5469 11.6897 16.0334 16.0414 17.8806 17.8973 k = 0.6094-0.0271 0.3827 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3962 -34.3883 -33.7455 -33.7444 -33.7396 -33.7323 -3.9145 -3.9139 -3.9070 -3.9036 -3.4687 -3.4679 -3.4521 -3.4452 -3.4416 -3.4366 4.1835 4.2611 6.5327 6.5942 7.6613 7.6852 8.0523 8.3995 8.5532 8.6114 9.1655 9.2275 9.7229 9.9593 10.5411 10.7606 11.4762 11.6205 16.0476 16.0562 17.8163 17.8291 k = 0.6133-0.0383 0.3891 ( 6563 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3962 -34.3884 -33.7455 -33.7444 -33.7396 -33.7322 -3.9145 -3.9139 -3.9070 -3.9035 -3.4688 -3.4678 -3.4521 -3.4450 -3.4416 -3.4365 4.2100 4.2886 6.4997 6.5599 7.6950 7.7249 8.0488 8.4189 8.5435 8.6232 9.1602 9.2236 9.7250 9.9602 10.4986 10.7165 11.4078 11.5536 16.0611 16.0701 17.7498 17.7599 k = 0.6172-0.0496 0.3955 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3963 -34.3885 -33.7455 -33.7444 -33.7396 -33.7323 -3.9144 -3.9139 -3.9071 -3.9035 -3.4688 -3.4678 -3.4521 -3.4449 -3.4417 -3.4364 4.2334 4.3125 6.4683 6.5268 7.7296 7.7664 8.0460 8.4338 8.5383 8.6343 9.1580 9.2225 9.7211 9.9532 10.4671 10.6843 11.3424 11.4892 16.0740 16.0833 17.6824 17.6905 k = 0.6211-0.0609 0.4019 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3963 -34.3886 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9072 -3.9035 -3.4688 -3.4678 -3.4521 -3.4448 -3.4416 -3.4363 4.2530 4.3322 6.4392 6.4955 7.7645 7.8085 8.0451 8.4432 8.5393 8.6443 9.1588 9.2242 9.7108 9.9379 10.4472 10.6645 11.2802 11.4276 16.0864 16.0959 17.6148 17.6215 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.6184-0.0684 0.4190 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9137 -3.9074 -3.9035 -3.4689 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2688 4.3477 6.4141 6.4678 7.7900 7.8449 8.0536 8.4497 8.5461 8.6578 9.1610 9.2313 9.6938 9.9140 10.4321 10.6528 11.2240 11.3735 16.1020 16.1120 17.5462 17.5534 k = 0.6118-0.0646 0.4297 ( 6563 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9144 -3.9136 -3.9074 -3.9034 -3.4689 -3.4677 -3.4522 -3.4447 -3.4416 -3.4363 4.2703 4.3494 6.4173 6.4710 7.7668 7.8323 8.0670 8.4548 8.5461 8.6725 9.1576 9.2378 9.6920 9.9131 10.4134 10.6398 11.2307 11.3850 16.1136 16.1248 17.5426 17.5530 k = 0.6053-0.0608 0.4405 ( 6566 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3886 -33.7454 -33.7444 -33.7396 -33.7323 -3.9145 -3.9135 -3.9075 -3.9033 -3.4689 -3.4677 -3.4522 -3.4446 -3.4416 -3.4363 4.2727 4.3523 6.4226 6.4764 7.7338 7.8110 8.0847 8.4624 8.5480 8.6950 9.1535 9.2473 9.6888 9.9115 10.3841 10.6188 11.2418 11.4023 16.1328 16.1458 17.5373 17.5519 k = 0.5987-0.0570 0.4512 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3964 -34.3886 -33.7455 -33.7444 -33.7396 -33.7322 -3.9147 -3.9133 -3.9077 -3.9032 -3.4690 -3.4677 -3.4522 -3.4445 -3.4416 -3.4364 4.2761 4.3562 6.4300 6.4839 7.6946 7.7824 8.1033 8.4706 8.5543 8.7236 9.1495 9.2586 9.6842 9.9096 10.3461 10.5906 11.2565 11.4236 16.1593 16.1749 17.5303 17.5499 k = 0.5921-0.0532 0.4620 ( 6572 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3964 -34.3886 -33.7455 -33.7444 -33.7396 -33.7322 -3.9148 -3.9132 -3.9079 -3.9030 -3.4690 -3.4676 -3.4523 -3.4444 -3.4415 -3.4365 4.2803 4.3611 6.4394 6.4934 7.6515 7.7478 8.1206 8.4772 8.5672 8.7566 9.1462 9.2710 9.6781 9.9074 10.3014 10.5565 11.2739 11.4470 16.1927 16.2116 17.5219 17.5470 k = 0.5855-0.0494 0.4727 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3965 -34.3886 -33.7455 -33.7445 -33.7396 -33.7321 -3.9149 -3.9130 -3.9081 -3.9029 -3.4691 -3.4675 -3.4524 -3.4442 -3.4415 -3.4365 4.2853 4.3669 6.4509 6.5049 7.6059 7.7087 8.1355 8.4809 8.5876 8.7929 9.1441 9.2839 9.6702 9.9051 10.2518 10.5179 11.2929 11.4711 16.2325 16.2555 17.5122 17.5434 k = 0.5789-0.0456 0.4835 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3965 -34.3885 -33.7456 -33.7445 -33.7396 -33.7320 -3.9150 -3.9129 -3.9083 -3.9027 -3.4691 -3.4675 -3.4525 -3.4441 -3.4415 -3.4366 4.2910 4.3735 6.4643 6.5184 7.5588 7.6663 8.1476 8.4819 8.6148 8.8311 9.1434 9.2968 9.6604 9.9028 10.1992 10.4763 11.3124 11.4947 16.2780 16.3058 17.5012 17.5391 k = 0.5724-0.0418 0.4942 ( 6574 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3966 -34.3885 -33.7456 -33.7445 -33.7396 -33.7320 -3.9152 -3.9127 -3.9085 -3.9025 -3.4692 -3.4674 -3.4525 -3.4439 -3.4415 -3.4367 4.2974 4.3808 6.4797 6.5336 7.5109 7.6216 8.1571 8.4810 8.6473 8.8704 9.1442 9.3095 9.6484 9.9007 10.1451 10.4330 11.3315 11.5170 16.3284 16.3617 17.4894 17.5344 k = 0.5658-0.0380 0.5049 ( 6584 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3967 -34.3885 -33.7457 -33.7445 -33.7396 -33.7319 -3.9153 -3.9125 -3.9087 -3.9024 -3.4693 -3.4673 -3.4526 -3.4437 -3.4415 -3.4368 4.3041 4.3887 6.4967 6.5505 7.4627 7.5755 8.1641 8.4789 8.6838 8.9095 9.1467 9.3216 9.6339 9.8983 10.0915 10.3890 11.3495 11.5374 16.3827 16.4220 17.4771 17.5294 k = 0.5592-0.0342 0.5157 ( 6580 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3967 -34.3884 -33.7457 -33.7445 -33.7397 -33.7318 -3.9154 -3.9124 -3.9089 -3.9022 -3.4693 -3.4673 -3.4527 -3.4435 -3.4415 -3.4369 4.3113 4.3969 6.5154 6.5689 7.4148 7.5289 8.1691 8.4759 8.7232 8.9476 9.1511 9.3330 9.6168 9.8943 10.0410 10.3454 11.3659 11.5556 16.4395 16.4855 17.4650 17.5243 k = 0.5526-0.0304 0.5264 ( 6589 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3968 -34.3884 -33.7458 -33.7445 -33.7397 -33.7317 -3.9155 -3.9122 -3.9091 -3.9020 -3.4694 -3.4672 -3.4528 -3.4434 -3.4415 -3.4370 4.3186 4.4053 6.5355 6.5883 7.3677 7.4826 8.1726 8.4724 8.7646 8.9831 9.1579 9.3436 9.5971 9.8846 9.9990 10.3029 11.3804 11.5714 16.4974 16.5503 17.4537 17.5196 k = 0.5461-0.0266 0.5372 ( 6589 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3969 -34.3884 -33.7458 -33.7445 -33.7397 -33.7317 -3.9156 -3.9120 -3.9093 -3.9019 -3.4694 -3.4672 -3.4529 -3.4432 -3.4415 -3.4371 4.3258 4.4137 6.5566 6.6086 7.3220 7.4373 8.1748 8.4685 8.8073 9.0145 9.1675 9.3532 9.5746 9.8625 9.9737 10.2620 11.3929 11.5847 16.5547 16.6144 17.4444 17.5155 k = 0.5395-0.0228 0.5479 ( 6598 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3883 -33.7458 -33.7445 -33.7397 -33.7316 -3.9156 -3.9119 -3.9095 -3.9018 -3.4694 -3.4671 -3.4529 -3.4430 -3.4415 -3.4372 4.3329 4.4219 6.5783 6.6291 7.2785 7.3941 8.1761 8.4645 8.8504 9.0401 9.1806 9.3620 9.5498 9.8275 9.9665 10.2233 11.4031 11.5954 16.6095 16.6752 17.4381 17.5125 k = 0.5329-0.0190 0.5587 ( 6602 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3883 -33.7459 -33.7445 -33.7397 -33.7315 -3.9157 -3.9117 -3.9097 -3.9017 -3.4695 -3.4671 -3.4530 -3.4429 -3.4415 -3.4373 4.3396 4.4296 6.6000 6.6492 7.2381 7.3537 8.1766 8.4606 8.8932 9.0588 9.1971 9.3701 9.5229 9.7880 9.9703 10.1871 11.4113 11.6038 16.6596 16.7299 17.4361 17.5108 k = 0.5263-0.0152 0.5694 ( 6614 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3883 -33.7459 -33.7446 -33.7397 -33.7315 -3.9158 -3.9116 -3.9098 -3.9016 -3.4695 -3.4670 -3.4530 -3.4427 -3.4416 -3.4373 4.3456 4.4365 6.6208 6.6679 7.2018 7.3175 8.1768 8.4569 8.9348 9.0703 9.2158 9.3774 9.4950 9.7504 9.9800 10.1536 11.4175 11.6099 16.7030 16.7758 17.4390 17.5107 k = 0.5197-0.0114 0.5801 ( 6610 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3883 -33.7459 -33.7446 -33.7397 -33.7314 -3.9158 -3.9114 -3.9100 -3.9015 -3.4695 -3.4670 -3.4531 -3.4426 -3.4416 -3.4374 4.3507 4.4424 6.6396 6.6842 7.1711 7.2868 8.1766 8.4537 8.9734 9.0758 9.2343 9.3841 9.4673 9.7183 9.9932 10.1230 11.4218 11.6141 16.7380 16.8109 17.4462 17.5121 k = 0.5132-0.0076 0.5909 ( 6612 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9113 -3.9101 -3.9015 -3.4695 -3.4670 -3.4531 -3.4424 -3.4417 -3.4374 4.3547 4.4470 6.6549 6.6968 7.1474 7.2632 8.1763 8.4510 9.0069 9.0767 9.2499 9.3901 9.4418 9.6940 10.0087 10.0957 11.4246 11.6166 16.7630 16.8345 17.4558 17.5146 k = 0.5066-0.0038 0.6016 ( 6618 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9113 -3.9102 -3.9015 -3.4696 -3.4670 -3.4531 -3.4423 -3.4417 -3.4375 4.3573 4.4500 6.6651 6.7048 7.1325 7.2482 8.1761 8.4493 9.0308 9.0754 9.2602 9.3958 9.4214 9.6794 10.0249 10.0725 11.4260 11.6179 16.7777 16.8474 17.4641 17.5173 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9112 -3.9102 -3.9014 -3.4696 -3.4669 -3.4531 -3.4423 -3.4418 -3.4375 4.3583 4.4511 6.6686 6.7075 7.1274 7.2430 8.1760 8.4486 9.0392 9.0752 9.2638 9.3997 9.4116 9.6746 10.0352 10.0600 11.4264 11.6182 16.7824 16.8513 17.4674 17.5188 k = 0.5000 0.0000 0.6124 ( 6620 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9112 -3.9102 -3.9014 -3.4696 -3.4669 -3.4531 -3.4423 -3.4418 -3.4375 4.3583 4.4511 6.6686 6.7075 7.1274 7.2430 8.1760 8.4486 9.0392 9.0752 9.2638 9.3997 9.4116 9.6746 10.0352 10.0600 11.4264 11.6182 16.7824 16.8513 17.4674 17.5188 k = 0.5000 0.0078 0.6013 ( 6616 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3883 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9113 -3.9102 -3.9015 -3.4696 -3.4670 -3.4531 -3.4424 -3.4417 -3.4375 4.3560 4.4487 6.6693 6.7099 7.1280 7.2436 8.1758 8.4498 9.0324 9.0650 9.2572 9.3958 9.4280 9.6847 10.0185 10.0811 11.4291 11.6209 16.7766 16.8481 17.4685 17.5245 k = 0.5000 0.0156 0.5903 ( 6608 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3972 -34.3882 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9114 -3.9100 -3.9015 -3.4695 -3.4670 -3.4531 -3.4426 -3.4415 -3.4375 4.3493 4.4416 6.6717 6.7166 7.1299 7.2452 8.1754 8.4533 9.0115 9.0381 9.2428 9.3971 9.4569 9.7138 9.9971 10.1161 11.4372 11.6292 16.7601 16.8381 17.4726 17.5403 k = 0.5000 0.0234 0.5793 ( 6610 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3882 -33.7460 -33.7446 -33.7397 -33.7314 -3.9159 -3.9116 -3.9098 -3.9015 -3.4695 -3.4670 -3.4531 -3.4429 -3.4413 -3.4375 4.3383 4.4298 6.6760 6.7269 7.1330 7.2479 8.1746 8.4590 8.9762 9.0016 9.2287 9.4018 9.4879 9.7585 9.9788 10.1582 11.4507 11.6429 16.7348 16.8210 17.4805 17.5629 k = 0.5000 0.0312 0.5682 ( 6604 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3971 -34.3882 -33.7459 -33.7445 -33.7397 -33.7315 -3.9158 -3.9118 -3.9096 -3.9016 -3.4695 -3.4670 -3.4530 -3.4431 -3.4411 -3.4375 4.3232 4.4137 6.6823 6.7402 7.1376 7.2518 8.1735 8.4666 8.9298 8.9601 9.2183 9.4069 9.5166 9.8128 9.9659 10.2074 11.4693 11.6619 16.7028 16.7971 17.4916 17.5897 k = 0.5000 0.0390 0.5572 ( 6592 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3970 -34.3882 -33.7459 -33.7445 -33.7397 -33.7315 -3.9158 -3.9120 -3.9094 -3.9017 -3.4695 -3.4671 -3.4530 -3.4434 -3.4410 -3.4376 4.3043 4.3935 6.6908 6.7555 7.1435 7.2568 8.1721 8.4759 8.8775 8.9152 9.2117 9.4114 9.5408 9.8639 9.9677 10.2639 11.4930 11.6860 16.6656 16.7670 17.5041 17.6186 k = 0.5000 0.0468 0.5462 ( 6592 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3969 -34.3882 -33.7459 -33.7445 -33.7397 -33.7316 -3.9157 -3.9122 -3.9092 -3.9018 -3.4694 -3.4671 -3.4529 -3.4437 -3.4408 -3.4376 4.2819 4.3696 6.7011 6.7722 7.1511 7.2630 8.1702 8.4864 8.8231 8.8686 9.2082 9.4153 9.5596 9.8855 10.0078 10.3278 11.5215 11.7152 16.6246 16.7318 17.5157 17.6474 k = 0.5000 0.0546 0.5351 ( 6598 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3968 -34.3881 -33.7459 -33.7445 -33.7397 -33.7316 -3.9157 -3.9123 -3.9090 -3.9019 -3.4694 -3.4672 -3.4529 -3.4440 -3.4407 -3.4377 4.2564 4.3424 6.7130 6.7895 7.1603 7.2704 8.1678 8.4973 8.7688 8.8221 9.2071 9.4188 9.5730 9.8820 10.0796 10.3986 11.5548 11.7491 16.5808 16.6924 17.5240 17.6742 k = 0.5000 0.0624 0.5241 ( 6584 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3967 -34.3881 -33.7458 -33.7445 -33.7397 -33.7317 -3.9156 -3.9125 -3.9088 -3.9020 -3.4693 -3.4673 -3.4528 -3.4443 -3.4405 -3.4377 4.2281 4.3122 6.7260 6.8067 7.1711 7.2790 8.1646 8.5076 8.7166 8.7772 9.2080 9.4221 9.5814 9.8718 10.1638 10.4757 11.5925 11.7876 16.5348 16.6497 17.5267 17.6969 k = 0.5000 0.0702 0.5131 ( 6580 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3966 -34.3880 -33.7458 -33.7444 -33.7397 -33.7318 -3.9156 -3.9127 -3.9086 -3.9022 -3.4693 -3.4673 -3.4527 -3.4447 -3.4404 -3.4378 4.1975 4.2795 6.7398 6.8232 7.1837 7.2889 8.1604 8.5147 8.6691 8.7353 9.2105 9.4254 9.5854 9.8599 10.2541 10.5584 11.6345 11.8303 16.4874 16.6042 17.5221 17.7136 k = 0.5000 0.0780 0.5020 ( 6580 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9384 -34.3965 -34.3880 -33.7458 -33.7444 -33.7397 -33.7319 -3.9155 -3.9128 -3.9084 -3.9023 -3.4692 -3.4674 -3.4526 -3.4450 -3.4403 -3.4379 4.1650 4.2447 6.7540 6.8385 7.1979 7.2999 8.1551 8.5130 8.6318 8.6974 9.2147 9.4287 9.5859 9.8477 10.3487 10.6460 11.6805 11.8771 16.4388 16.5567 17.5091 17.7223 k = 0.5000 0.0858 0.4910 ( 6578 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3963 -34.3880 -33.7457 -33.7444 -33.7397 -33.7320 -3.9154 -3.9129 -3.9082 -3.9025 -3.4692 -3.4675 -3.4525 -3.4453 -3.4403 -3.4380 4.1309 4.2083 6.7682 6.8523 7.2134 7.3120 8.1484 8.4946 8.6120 8.6651 9.2205 9.4322 9.5835 9.8357 10.4465 10.7377 11.7303 11.9277 16.3895 16.5075 17.4875 17.7220 k = 0.5000 0.0936 0.4800 ( 6566 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3962 -34.3879 -33.7456 -33.7443 -33.7397 -33.7321 -3.9153 -3.9130 -3.9080 -3.9027 -3.4691 -3.4676 -3.4524 -3.4456 -3.4402 -3.4381 4.0957 4.1705 6.7820 6.8642 7.2301 7.3251 8.1402 8.4607 8.6051 8.6421 9.2279 9.4360 9.5790 9.8241 10.5471 10.8332 11.7837 11.9819 16.3398 16.4570 17.4577 17.7121 k = 0.5000 0.1014 0.4689 ( 6566 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9385 -34.3960 -34.3879 -33.7456 -33.7443 -33.7398 -33.7323 -3.9152 -3.9131 -3.9079 -3.9029 -3.4691 -3.4677 -3.4523 -3.4459 -3.4401 -3.4382 4.0596 4.1319 6.7951 6.8744 7.2475 7.3388 8.1305 8.4205 8.5950 8.6356 9.2371 9.4400 9.5730 9.8128 10.6503 10.9318 11.8404 12.0393 16.2899 16.4055 17.4207 17.6928 k = 0.5000 0.1092 0.4579 ( 6560 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3958 -34.3879 -33.7455 -33.7442 -33.7398 -33.7324 -3.9151 -3.9132 -3.9078 -3.9032 -3.4690 -3.4678 -3.4522 -3.4462 -3.4401 -3.4383 4.0231 4.0927 6.8074 6.8826 7.2653 7.3528 8.1195 8.3790 8.5805 8.6416 9.2479 9.4445 9.5660 9.8019 10.7557 11.0332 11.9002 12.0997 16.2400 16.3532 17.3775 17.6651 k = 0.5000 0.1170 0.4469 ( 6560 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3956 -34.3878 -33.7454 -33.7442 -33.7398 -33.7326 -3.9150 -3.9132 -3.9076 -3.9034 -3.4689 -3.4678 -3.4520 -3.4465 -3.4400 -3.4384 3.9864 4.0533 6.8187 6.8892 7.2831 7.3668 8.1076 8.3385 8.5680 8.6510 9.2604 9.4493 9.5585 9.7915 10.8631 11.1369 11.9630 12.1627 16.1904 16.3004 17.3293 17.6301 k = 0.5000 0.1248 0.4358 ( 6560 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3954 -34.3878 -33.7453 -33.7441 -33.7398 -33.7327 -3.9149 -3.9132 -3.9076 -3.9036 -3.4689 -3.4679 -3.4519 -3.4468 -3.4400 -3.4385 3.9498 4.0138 6.8288 6.8942 7.3006 7.3804 8.0951 8.2999 8.5591 8.6609 9.2746 9.4547 9.5507 9.7815 10.9726 11.2427 12.0284 12.2282 16.1411 16.2472 17.2770 17.5888 k = 0.5000 0.1326 0.4248 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3952 -34.3878 -33.7452 -33.7441 -33.7398 -33.7329 -3.9147 -3.9132 -3.9075 -3.9039 -3.4688 -3.4680 -3.4518 -3.4471 -3.4400 -3.4387 3.9135 3.9748 6.8377 6.8977 7.3175 7.3931 8.0828 8.2638 8.5537 8.6702 9.2902 9.4607 9.5431 9.7720 11.0838 11.3502 12.0964 12.2958 16.0923 16.1938 17.2213 17.5425 k = 0.5000 0.1404 0.4138 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9387 -34.3949 -34.3878 -33.7451 -33.7440 -33.7398 -33.7331 -3.9146 -3.9132 -3.9074 -3.9042 -3.4688 -3.4681 -3.4517 -3.4474 -3.4400 -3.4388 3.8779 3.9362 6.8455 6.9000 7.3335 7.4046 8.0711 8.2304 8.5515 8.6784 9.3072 9.4672 9.5358 9.7630 11.1967 11.4592 12.1666 12.3651 16.0441 16.1404 17.1629 17.4920 k = 0.5000 0.1482 0.4027 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9388 -34.9388 -34.3947 -34.3878 -33.7450 -33.7440 -33.7398 -33.7333 -3.9144 -3.9132 -3.9074 -3.9044 -3.4688 -3.4682 -3.4515 -3.4476 -3.4400 -3.4389 3.8431 3.8985 6.8520 6.9012 7.3485 7.4145 8.0606 8.2000 8.5518 8.6853 9.3251 9.4744 9.5290 9.7545 11.3111 11.5692 12.2390 12.4359 15.9965 16.0870 17.1024 17.4379 k = 0.5000 0.1560 0.3917 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9388 -34.3945 -34.3878 -33.7449 -33.7439 -33.7398 -33.7335 -3.9143 -3.9131 -3.9074 -3.9047 -3.4688 -3.4682 -3.4514 -3.4479 -3.4400 -3.4391 3.8093 3.8617 6.8574 6.9014 7.3622 7.4226 8.0516 8.1726 8.5541 8.6908 9.3436 9.4823 9.5229 9.7465 11.4269 11.6800 12.3132 12.5077 15.9496 16.0338 17.0402 17.3810 k = 0.5000 0.1638 0.3807 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9389 -34.3942 -34.3879 -33.7447 -33.7439 -33.7398 -33.7338 -3.9141 -3.9130 -3.9074 -3.9050 -3.4687 -3.4683 -3.4513 -3.4481 -3.4400 -3.4392 3.7767 3.8262 6.8617 6.9008 7.3745 7.4289 8.0444 8.1483 8.5578 8.6949 9.3624 9.4908 9.5176 9.7391 11.5439 11.7912 12.3891 12.5802 15.9034 15.9807 16.9767 17.3217 k = 0.5000 0.1716 0.3696 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9389 -34.3940 -34.3879 -33.7446 -33.7438 -33.7398 -33.7340 -3.9139 -3.9129 -3.9074 -3.9053 -3.4687 -3.4683 -3.4512 -3.4483 -3.4400 -3.4393 3.7455 3.7919 6.8650 6.8996 7.3855 7.4334 8.0389 8.1271 8.5627 8.6977 9.3810 9.4995 9.5138 9.7323 11.6617 11.9023 12.4666 12.6530 15.8578 15.9278 16.9124 17.2604 k = 0.5000 0.1794 0.3586 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3937 -34.3879 -33.7444 -33.7437 -33.7398 -33.7343 -3.9138 -3.9128 -3.9075 -3.9056 -3.4687 -3.4683 -3.4511 -3.4485 -3.4401 -3.4395 3.7158 3.7592 6.8674 6.8977 7.3949 7.4363 8.0351 8.1090 8.5682 8.6993 9.3989 9.5045 9.5154 9.7260 11.7802 12.0128 12.5453 12.7257 15.8125 15.8751 16.8477 17.1976 k = 0.5000 0.1872 0.3476 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3934 -34.3880 -33.7443 -33.7437 -33.7398 -33.7345 -3.9136 -3.9127 -3.9075 -3.9059 -3.4688 -3.4684 -3.4510 -3.4487 -3.4401 -3.4396 3.6877 3.7280 6.8690 6.8954 7.4028 7.4376 8.0330 8.0937 8.5742 8.6997 9.4157 9.5032 9.5250 9.7204 11.8988 12.1220 12.6253 12.7978 15.7674 15.8225 16.7830 17.1338 k = 0.5000 0.1951 0.3365 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9390 -34.3932 -34.3881 -33.7441 -33.7436 -33.7398 -33.7348 -3.9134 -3.9126 -3.9076 -3.9062 -3.4688 -3.4684 -3.4509 -3.4489 -3.4401 -3.4397 3.6614 3.6987 6.8699 6.8927 7.4092 7.4378 8.0321 8.0812 8.5804 8.6992 9.4311 9.5010 9.5371 9.7154 12.0170 12.2293 12.7062 12.8689 15.7221 15.7699 16.7187 17.0693 k = 0.5000 0.2029 0.3255 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3929 -34.3882 -33.7440 -33.7435 -33.7398 -33.7351 -3.9131 -3.9124 -3.9077 -3.9066 -3.4688 -3.4684 -3.4508 -3.4491 -3.4401 -3.4398 3.6369 3.6711 6.8701 6.8898 7.4143 7.4371 8.0324 8.0712 8.5867 8.6977 9.4449 9.4991 9.5502 9.7109 12.1343 12.3336 12.7879 12.9386 15.6759 15.7173 16.6555 17.0041 k = 0.5000 0.2107 0.3145 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3926 -34.3883 -33.7438 -33.7435 -33.7397 -33.7353 -3.9129 -3.9122 -3.9079 -3.9069 -3.4688 -3.4684 -3.4507 -3.4492 -3.4402 -3.4399 3.6144 3.6456 6.8699 6.8868 7.4181 7.4357 8.0335 8.0635 8.5930 8.6955 9.4568 9.4978 9.5640 9.7071 12.2497 12.4341 12.8702 13.0065 15.6284 15.6644 16.5938 16.9181 k = 0.5000 0.2185 0.3034 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9391 -34.3923 -34.3884 -33.7437 -33.7434 -33.7396 -33.7356 -3.9127 -3.9121 -3.9080 -3.9072 -3.4688 -3.4684 -3.4506 -3.4494 -3.4402 -3.4400 3.5940 3.6220 6.8693 6.8836 7.4208 7.4339 8.0351 8.0577 8.5992 8.6926 9.4670 9.4970 9.5781 9.7037 12.3621 12.5294 12.9527 13.0721 15.5790 15.6112 16.5344 16.7864 k = 0.5000 0.2263 0.2924 ( 6548 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3920 -34.3885 -33.7436 -33.7434 -33.7396 -33.7359 -3.9125 -3.9119 -3.9082 -3.9075 -3.4688 -3.4684 -3.4505 -3.4495 -3.4402 -3.4401 3.5757 3.6006 6.8685 6.8805 7.4225 7.4319 8.0371 8.0536 8.6053 8.6892 9.4755 9.4966 9.5920 9.7008 12.4703 12.6185 13.0347 13.1351 15.5274 15.5575 16.4779 16.6637 k = 0.5000 0.2341 0.2814 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3918 -34.3886 -33.7435 -33.7433 -33.7395 -33.7362 -3.9122 -3.9117 -3.9083 -3.9078 -3.4688 -3.4685 -3.4505 -3.4496 -3.4403 -3.4402 3.5595 3.5814 6.8675 6.8775 7.4235 7.4299 8.0392 8.0509 8.6112 8.6852 9.4824 9.4965 9.6056 9.6981 12.5726 12.7002 13.1153 13.1952 15.4739 15.5031 16.4251 16.5547 k = 0.5000 0.2419 0.2703 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3915 -34.3888 -33.7434 -33.7433 -33.7394 -33.7365 -3.9120 -3.9115 -3.9085 -3.9081 -3.4688 -3.4685 -3.4504 -3.4497 -3.4403 -3.4402 3.5457 3.5644 6.8664 6.8747 7.4240 7.4280 8.0413 8.0493 8.6171 8.6809 9.4878 9.4968 9.6185 9.6956 12.6672 12.7732 13.1930 13.2521 15.4197 15.4480 16.3768 16.4610 k = 0.5000 0.2497 0.2593 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9392 -34.3912 -34.3889 -33.7433 -33.7432 -33.7392 -33.7368 -3.9117 -3.9113 -3.9087 -3.9084 -3.4688 -3.4685 -3.4504 -3.4498 -3.4403 -3.4403 3.5341 3.5497 6.8655 6.8721 7.4240 7.4263 8.0432 8.0484 8.6228 8.6763 9.4921 9.4972 9.6305 9.6932 12.7519 12.8366 13.2657 13.3053 15.3663 15.3932 16.3336 16.3836 k = 0.5000 0.2575 0.2483 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3909 -34.3891 -33.7432 -33.7432 -33.7390 -33.7371 -3.9114 -3.9111 -3.9089 -3.9087 -3.4688 -3.4686 -3.4503 -3.4499 -3.4403 -3.4403 3.5248 3.5374 6.8646 6.8698 7.4237 7.4249 8.0449 8.0481 8.6284 8.6714 9.4952 9.4978 9.6415 9.6905 12.8247 12.8893 13.3309 13.3538 15.3164 15.3406 16.2964 16.3224 k = 0.5000 0.2653 0.2372 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3907 -34.3893 -33.7431 -33.7431 -33.7389 -33.7374 -3.9112 -3.9109 -3.9091 -3.9090 -3.4688 -3.4686 -3.4503 -3.4499 -3.4404 -3.4404 3.5180 3.5274 6.8640 6.8678 7.4234 7.4239 8.0462 8.0482 8.6340 8.6663 9.4973 9.4984 9.6513 9.6874 12.8841 12.9302 13.3855 13.3963 15.2730 15.2931 16.2660 16.2771 k = 0.5000 0.2731 0.2262 ( 6548 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3904 -34.3895 -33.7431 -33.7431 -33.7387 -33.7377 -3.9110 -3.9107 -3.9092 -3.9092 -3.4688 -3.4686 -3.4502 -3.4500 -3.4404 -3.4404 3.5135 3.5198 6.8637 6.8662 7.4230 7.4231 8.0472 8.0483 8.6395 8.6611 9.4987 9.4990 9.6600 9.6837 12.9288 12.9583 13.4267 13.4302 15.2397 15.2543 16.2431 16.2464 k = 0.5000 0.2809 0.2152 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3902 -34.3897 -33.7431 -33.7431 -33.7384 -33.7379 -3.9108 -3.9106 -3.9094 -3.9094 -3.4687 -3.4687 -3.4502 -3.4500 -3.4404 -3.4404 3.5114 3.5146 6.8638 6.8650 7.4227 7.4227 8.0479 8.0483 8.6450 8.6558 9.4994 9.4995 9.6675 9.6792 12.9585 12.9729 13.4521 13.4526 15.2199 15.2276 16.2286 16.2290 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3900 -34.3900 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9094 -3.9094 -3.4687 -3.4687 -3.4501 -3.4501 -3.4404 -3.4404 3.5118 3.5118 6.8642 6.8642 7.4226 7.4226 8.0482 8.0482 8.6504 8.6504 9.4996 9.4996 9.6739 9.6739 12.9731 12.9731 13.4606 13.4606 15.2157 15.2157 16.2235 16.2235 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3900 -34.3900 -33.7431 -33.7431 -33.7382 -33.7382 -3.9107 -3.9107 -3.9094 -3.9094 -3.4687 -3.4687 -3.4501 -3.4501 -3.4404 -3.4404 3.5118 3.5118 6.8642 6.8642 7.4226 7.4226 8.0482 8.0482 8.6504 8.6504 9.4996 9.4996 9.6739 9.6739 12.9731 12.9731 13.4606 13.4606 15.2157 15.2157 16.2235 16.2235 k = 0.4961 0.2864 0.2169 ( 6550 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3902 -34.3897 -33.7431 -33.7431 -33.7384 -33.7379 -3.9108 -3.9106 -3.9094 -3.9094 -3.4687 -3.4687 -3.4502 -3.4500 -3.4404 -3.4404 3.5114 3.5146 6.8638 6.8650 7.4227 7.4227 8.0479 8.0483 8.6450 8.6558 9.4994 9.4995 9.6675 9.6792 12.9585 12.9729 13.4522 13.4525 15.2199 15.2276 16.2288 16.2288 k = 0.4922 0.2842 0.2296 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3904 -34.3895 -33.7431 -33.7431 -33.7387 -33.7377 -3.9110 -3.9107 -3.9092 -3.9092 -3.4688 -3.4686 -3.4502 -3.4500 -3.4404 -3.4404 3.5135 3.5198 6.8637 6.8662 7.4230 7.4231 8.0472 8.0483 8.6395 8.6611 9.4987 9.4990 9.6600 9.6837 12.9288 12.9582 13.4274 13.4294 15.2398 15.2544 16.2447 16.2449 k = 0.4883 0.2819 0.2424 ( 6540 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3907 -34.3893 -33.7431 -33.7431 -33.7389 -33.7374 -3.9112 -3.9109 -3.9091 -3.9090 -3.4688 -3.4686 -3.4503 -3.4499 -3.4404 -3.4404 3.5180 3.5274 6.8640 6.8678 7.4236 7.4237 8.0462 8.0481 8.6340 8.6663 9.4975 9.4983 9.6513 9.6874 12.8841 12.9298 13.3876 13.3938 15.2732 15.2932 16.2713 16.2721 k = 0.4844 0.2797 0.2552 ( 6542 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3909 -34.3891 -33.7432 -33.7432 -33.7390 -33.7371 -3.9114 -3.9111 -3.9089 -3.9087 -3.4688 -3.4686 -3.4503 -3.4499 -3.4404 -3.4403 3.5249 3.5374 6.8646 6.8698 7.4242 7.4245 8.0450 8.0480 8.6284 8.6714 9.4956 9.4974 9.6414 9.6905 12.8250 12.8882 13.3356 13.3488 15.3166 15.3405 16.3088 16.3107 k = 0.4805 0.2774 0.2679 ( 6546 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9393 -34.3912 -34.3889 -33.7433 -33.7432 -33.7392 -33.7368 -3.9117 -3.9113 -3.9087 -3.9084 -3.4688 -3.4685 -3.4504 -3.4498 -3.4403 -3.4403 3.5342 3.5498 6.8655 6.8721 7.4249 7.4255 8.0435 8.0482 8.6228 8.6763 9.4928 9.4964 9.6304 9.6933 12.7527 12.8342 13.2743 13.2967 15.3663 15.3925 16.3576 16.3611 k = 0.4766 0.2751 0.2807 ( 6558 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9393 -34.9392 -34.3915 -34.3888 -33.7434 -33.7433 -33.7394 -33.7365 -3.9120 -3.9115 -3.9085 -3.9081 -3.4688 -3.4685 -3.4504 -3.4497 -3.4403 -3.4402 3.5458 3.5645 6.8664 6.8746 7.4256 7.4266 8.0418 8.0487 8.6171 8.6809 9.4891 9.4952 9.6184 9.6959 12.6689 12.7688 13.2064 13.2394 15.4189 15.4460 16.4177 16.4234 k = 0.4727 0.2729 0.2934 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3918 -34.3886 -33.7435 -33.7433 -33.7395 -33.7362 -3.9122 -3.9117 -3.9083 -3.9078 -3.4688 -3.4685 -3.4505 -3.4496 -3.4403 -3.4401 3.5597 3.5816 6.8674 6.8774 7.4262 7.4278 8.0400 8.0499 8.6113 8.6851 9.4844 9.4938 9.6055 9.6988 12.5756 12.6932 13.1340 13.1782 15.4714 15.4984 16.4889 16.4973 k = 0.4688 0.2706 0.3062 ( 6560 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3920 -34.3885 -33.7436 -33.7434 -33.7396 -33.7359 -3.9124 -3.9119 -3.9081 -3.9075 -3.4688 -3.4684 -3.4505 -3.4495 -3.4403 -3.4400 3.5758 3.6008 6.8682 6.8802 7.4267 7.4290 8.0384 8.0519 8.6054 8.6890 9.4785 9.4919 9.5922 9.7020 12.4747 12.6089 13.0588 13.1139 15.5221 15.5480 16.5707 16.5822 k = 0.4648 0.2684 0.3189 ( 6556 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9392 -34.9392 -34.3923 -34.3884 -33.7437 -33.7434 -33.7396 -33.7356 -3.9127 -3.9121 -3.9079 -3.9073 -3.4688 -3.4684 -3.4506 -3.4494 -3.4403 -3.4399 3.5942 3.6223 6.8687 6.8829 7.4271 7.4301 8.0369 8.0549 8.5995 8.6923 9.4714 9.4891 9.5790 9.7059 12.3681 12.5173 12.9817 13.0468 15.5696 15.5939 16.6621 16.6771 k = 0.4609 0.2661 0.3317 ( 6552 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3926 -34.3883 -33.7438 -33.7435 -33.7397 -33.7353 -3.9129 -3.9123 -3.9078 -3.9070 -3.4688 -3.4684 -3.4507 -3.4492 -3.4403 -3.4398 3.6147 3.6459 6.8688 6.8853 7.4273 7.4312 8.0357 8.0593 8.5935 8.6949 9.4630 9.4845 9.5671 9.7106 12.2575 12.4202 12.9033 12.9774 15.6137 15.6359 16.7619 16.7807 k = 0.4570 0.2639 0.3445 ( 6548 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9391 -34.3929 -34.3882 -33.7440 -33.7435 -33.7397 -33.7351 -3.9131 -3.9125 -3.9076 -3.9067 -3.4688 -3.4684 -3.4508 -3.4491 -3.4403 -3.4396 3.6372 3.6715 6.8680 6.8873 7.4275 7.4323 8.0350 8.0652 8.5875 8.6968 9.4533 9.4770 9.5577 9.7165 12.1443 12.3190 12.8238 12.9060 15.6543 15.6742 16.8689 16.8917 k = 0.4531 0.2616 0.3572 ( 6549 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9391 -34.9390 -34.3931 -34.3881 -33.7441 -33.7436 -33.7398 -33.7348 -3.9133 -3.9127 -3.9074 -3.9064 -3.4688 -3.4684 -3.4508 -3.4489 -3.4403 -3.4395 3.6617 3.6990 6.8663 6.8886 7.4278 7.4334 8.0348 8.0727 8.5816 8.6977 9.4424 9.4657 9.5522 9.7236 12.0298 12.2150 12.7434 12.8328 15.6917 15.7091 16.9817 17.0087 k = 0.4492 0.2594 0.3700 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3934 -34.3880 -33.7443 -33.7437 -33.7398 -33.7345 -3.9135 -3.9128 -3.9073 -3.9061 -3.4687 -3.4684 -3.4509 -3.4488 -3.4404 -3.4393 3.6880 3.7284 6.8632 6.8888 7.4285 7.4346 8.0354 8.0821 8.5758 8.6977 9.4302 9.4504 9.5506 9.7320 11.9149 12.1092 12.6624 12.7582 15.7262 15.7412 17.0993 17.1307 k = 0.4453 0.2571 0.3827 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9390 -34.3937 -34.3879 -33.7444 -33.7437 -33.7398 -33.7343 -3.9137 -3.9130 -3.9072 -3.9059 -3.4687 -3.4684 -3.4510 -3.4486 -3.4404 -3.4391 3.7161 3.7595 6.8584 6.8877 7.4296 7.4363 8.0366 8.0934 8.5702 8.6965 9.4170 9.4320 9.5527 9.7419 11.8005 12.0028 12.5809 12.6823 15.7583 15.7707 17.2207 17.2566 k = 0.4414 0.2548 0.3955 ( 6553 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9390 -34.9389 -34.3939 -34.3879 -33.7446 -33.7438 -33.7398 -33.7340 -3.9138 -3.9131 -3.9071 -3.9056 -3.4686 -3.4684 -3.4511 -3.4484 -3.4404 -3.4390 3.7458 3.7922 6.8516 6.8847 7.4317 7.4386 8.0386 8.1066 8.5650 8.6940 9.4028 9.4113 9.5576 9.7533 11.6873 11.8963 12.4989 12.6054 15.7882 15.7982 17.3448 17.3857 k = 0.4375 0.2526 0.4082 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9389 -34.3942 -34.3879 -33.7447 -33.7439 -33.7398 -33.7338 -3.9140 -3.9133 -3.9070 -3.9054 -3.4686 -3.4684 -3.4512 -3.4482 -3.4405 -3.4388 3.7770 3.8263 6.8424 6.8795 7.4351 7.4421 8.0412 8.1219 8.5604 8.6902 9.3879 9.3892 9.5649 9.7661 11.5757 11.7906 12.4167 12.5278 15.8162 15.8240 17.4707 17.5172 k = 0.4336 0.2503 0.4210 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2387 -47.2387 -34.9389 -34.9388 -34.3944 -34.3879 -33.7448 -33.7439 -33.7398 -33.7336 -3.9141 -3.9134 -3.9069 -3.9051 -3.4685 -3.4684 -3.4513 -3.4480 -3.4406 -3.4386 3.8095 3.8617 6.8305 6.8718 7.4402 7.4470 8.0443 8.1391 8.5565 8.6850 9.3662 9.3723 9.5742 9.7803 11.4665 11.6861 12.3345 12.4497 15.8426 15.8481 17.5969 17.6503 k = 0.4297 0.2481 0.4338 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9388 -34.3947 -34.3879 -33.7449 -33.7440 -33.7398 -33.7334 -3.9142 -3.9135 -3.9068 -3.9049 -3.4685 -3.4685 -3.4514 -3.4477 -3.4406 -3.4383 3.8431 3.8982 6.8158 6.8610 7.4472 7.4538 8.0477 8.1582 8.5537 8.6783 9.3428 9.3564 9.5853 9.7959 11.3599 11.5834 12.2523 12.3714 15.8675 15.8710 17.7214 17.7841 k = 0.4258 0.2458 0.4465 ( 6554 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2387 -34.9388 -34.9387 -34.3949 -34.3879 -33.7451 -33.7440 -33.7398 -33.7332 -3.9143 -3.9136 -3.9068 -3.9047 -3.4685 -3.4684 -3.4515 -3.4475 -3.4407 -3.4381 3.8776 3.9355 6.7980 6.8471 7.4567 7.4630 8.0513 8.1790 8.5521 8.6702 9.3194 9.3403 9.5980 9.8128 11.2564 11.4828 12.1704 12.2930 15.8911 15.8927 17.8402 17.9162 k = 0.4219 0.2436 0.4593 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3951 -34.3879 -33.7451 -33.7441 -33.7398 -33.7330 -3.9144 -3.9137 -3.9067 -3.9045 -3.4685 -3.4683 -3.4516 -3.4472 -3.4408 -3.4379 3.9128 3.9735 6.7772 6.8297 7.4687 7.4749 8.0547 8.2013 8.5519 8.6605 9.2963 9.3243 9.6121 9.8307 11.1565 11.3849 12.0889 12.2148 15.9133 15.9135 17.9450 18.0387 k = 0.4180 0.2413 0.4720 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9387 -34.9387 -34.3953 -34.3879 -33.7452 -33.7441 -33.7398 -33.7329 -3.9145 -3.9138 -3.9067 -3.9043 -3.4685 -3.4683 -3.4516 -3.4470 -3.4409 -3.4377 3.9485 4.0119 6.7534 6.8090 7.4834 7.4898 8.0576 8.2250 8.5535 8.6495 9.2740 9.3085 9.6273 9.8494 11.0604 11.2899 12.0081 12.1370 15.9330 15.9347 18.0224 18.1223 k = 0.4141 0.2391 0.4848 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3955 -34.3880 -33.7453 -33.7442 -33.7397 -33.7327 -3.9145 -3.9138 -3.9067 -3.9042 -3.4686 -3.4682 -3.4517 -3.4467 -3.4410 -3.4375 3.9844 4.0503 6.7268 6.7850 7.5010 7.5079 8.0598 8.2497 8.5568 8.6372 9.2527 9.2933 9.6433 9.8686 10.9686 11.1984 11.9280 12.0597 15.9517 15.9549 18.0613 18.1422 k = 0.4102 0.2368 0.4976 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9386 -34.3956 -34.3880 -33.7454 -33.7442 -33.7397 -33.7326 -3.9146 -3.9139 -3.9067 -3.9040 -3.4686 -3.4681 -3.4518 -3.4465 -3.4411 -3.4373 4.0201 4.0884 6.6978 6.7579 7.5214 7.5293 8.0611 8.2753 8.5621 8.6237 9.2328 9.2788 9.6596 9.8880 10.8815 11.1108 11.8490 11.9833 15.9696 15.9740 18.0632 18.1220 k = 0.4062 0.2345 0.5103 ( 6573 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9386 -34.9385 -34.3958 -34.3881 -33.7454 -33.7443 -33.7397 -33.7325 -3.9146 -3.9139 -3.9067 -3.9039 -3.4686 -3.4681 -3.4519 -3.4462 -3.4412 -3.4372 4.0553 4.1259 6.6668 6.7283 7.5445 7.5541 8.0613 8.3012 8.5692 8.6095 9.2147 9.2653 9.6758 9.9069 10.7997 11.0279 11.7711 11.9079 15.9866 15.9922 18.0380 18.0800 k = 0.4023 0.2323 0.5231 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3959 -34.3881 -33.7455 -33.7443 -33.7397 -33.7324 -3.9146 -3.9139 -3.9068 -3.9038 -3.4687 -3.4680 -3.4519 -3.4459 -3.4413 -3.4370 4.0897 4.1624 6.6342 6.6965 7.5703 7.5822 8.0604 8.3272 8.5781 8.5947 9.1986 9.2531 9.6912 9.9245 10.7239 10.9503 11.6947 11.8336 16.0029 16.0095 17.9951 18.0254 k = 0.3984 0.2300 0.5358 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9385 -34.3960 -34.3882 -33.7455 -33.7443 -33.7397 -33.7323 -3.9146 -3.9139 -3.9068 -3.9037 -3.4687 -3.4680 -3.4520 -3.4457 -3.4414 -3.4368 4.1228 4.1975 6.6006 6.6631 7.5986 7.6136 8.0585 8.3527 8.5799 8.5883 9.1849 9.2426 9.7048 9.9400 10.6549 10.8790 11.6199 11.7608 16.0185 16.0259 17.9412 17.9634 k = 0.3945 0.2278 0.5486 ( 6568 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9385 -34.9384 -34.3961 -34.3883 -33.7455 -33.7444 -33.7397 -33.7323 -3.9146 -3.9139 -3.9069 -3.9036 -3.4687 -3.4679 -3.4520 -3.4454 -3.4415 -3.4367 4.1542 4.2305 6.5665 6.6288 7.6290 7.6480 8.0556 8.3771 8.5658 8.5996 9.1738 9.2339 9.7158 9.9521 10.5935 10.8153 11.5469 11.6897 16.0334 16.0414 17.8806 17.8973 k = 0.3906 0.2255 0.5613 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3962 -34.3883 -33.7455 -33.7444 -33.7396 -33.7323 -3.9145 -3.9139 -3.9070 -3.9036 -3.4687 -3.4679 -3.4521 -3.4452 -3.4416 -3.4366 4.1835 4.2611 6.5327 6.5942 7.6613 7.6852 8.0523 8.3995 8.5532 8.6114 9.1655 9.2275 9.7229 9.9593 10.5411 10.7606 11.4762 11.6205 16.0476 16.0562 17.8163 17.8291 k = 0.3867 0.2233 0.5741 ( 6563 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9384 -34.3962 -34.3884 -33.7455 -33.7444 -33.7396 -33.7322 -3.9145 -3.9139 -3.9070 -3.9035 -3.4688 -3.4678 -3.4521 -3.4450 -3.4416 -3.4365 4.2100 4.2886 6.4997 6.5599 7.6950 7.7249 8.0488 8.4189 8.5435 8.6232 9.1602 9.2236 9.7250 9.9602 10.4986 10.7165 11.4078 11.5536 16.0611 16.0701 17.7498 17.7599 k = 0.3828 0.2210 0.5869 ( 6562 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3963 -34.3885 -33.7455 -33.7444 -33.7396 -33.7323 -3.9144 -3.9139 -3.9071 -3.9035 -3.4688 -3.4678 -3.4521 -3.4449 -3.4417 -3.4364 4.2334 4.3125 6.4683 6.5268 7.7296 7.7664 8.0460 8.4338 8.5383 8.6343 9.1580 9.2225 9.7211 9.9532 10.4671 10.6843 11.3424 11.4892 16.0740 16.0833 17.6824 17.6905 k = 0.3789 0.2188 0.5996 ( 6567 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9384 -34.9383 -34.3963 -34.3886 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9072 -3.9035 -3.4688 -3.4678 -3.4521 -3.4448 -3.4416 -3.4363 4.2530 4.3322 6.4392 6.4955 7.7645 7.8085 8.0451 8.4432 8.5393 8.6443 9.1588 9.2242 9.7108 9.9379 10.4472 10.6645 11.2802 11.4276 16.0864 16.0959 17.6148 17.6215 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3963 -34.3887 -33.7454 -33.7444 -33.7396 -33.7323 -3.9143 -3.9138 -3.9073 -3.9035 -3.4688 -3.4678 -3.4521 -3.4447 -3.4416 -3.4363 4.2683 4.3471 6.4130 6.4667 7.7986 7.8490 8.0485 8.4478 8.5464 8.6527 9.1623 9.2289 9.6945 9.9143 10.4385 10.6571 11.2217 11.3694 16.0982 16.1077 17.5475 17.5533 k = 0.6184-0.0836 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3962 -34.3888 -33.7453 -33.7444 -33.7395 -33.7324 -3.9141 -3.9137 -3.9075 -3.9035 -3.4689 -3.4678 -3.4521 -3.4447 -3.4414 -3.4362 4.2891 4.3666 6.3724 6.4215 7.8560 7.9150 8.0603 8.4516 8.5654 8.6662 9.1703 9.2387 9.6635 9.8701 10.4318 10.6518 11.1283 11.2753 16.1171 16.1267 17.4360 17.4404 k = 0.6118-0.0950 0.4082 ( 6555 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9383 -34.3961 -34.3890 -33.7452 -33.7444 -33.7395 -33.7326 -3.9139 -3.9136 -3.9077 -3.9035 -3.4689 -3.4678 -3.4521 -3.4448 -3.4412 -3.4362 4.3079 4.3836 6.3333 6.3779 7.9150 7.9826 8.0738 8.4535 8.5889 8.6814 9.1786 9.2475 9.6353 9.8298 10.4225 10.6410 11.0381 11.1832 16.1353 16.1448 17.3272 17.3303 k = 0.6053-0.1064 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9383 -34.9382 -34.3960 -34.3891 -33.7452 -33.7444 -33.7395 -33.7327 -3.9137 -3.9135 -3.9079 -3.9036 -3.4689 -3.4678 -3.4520 -3.4448 -3.4409 -3.4361 4.3248 4.3983 6.2958 6.3362 7.9749 8.0490 8.0908 8.4545 8.6160 8.6985 9.1870 9.2550 9.6103 9.7936 10.4100 10.6236 10.9519 11.0930 16.1525 16.1620 17.2219 17.2238 k = 0.5987-0.1177 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3959 -34.3893 -33.7451 -33.7444 -33.7394 -33.7329 -3.9135 -3.9134 -3.9081 -3.9037 -3.4690 -3.4678 -3.4519 -3.4450 -3.4407 -3.4361 4.3399 4.4106 6.2601 6.2965 8.0351 8.0928 8.1321 8.4551 8.6463 8.7176 9.1952 9.2610 9.5891 9.7619 10.3941 10.5982 10.8713 11.0049 16.1689 16.1783 17.1206 17.1214 k = 0.5921-0.1291 0.4082 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3958 -34.3895 -33.7450 -33.7444 -33.7393 -33.7330 -3.9134 -3.9133 -3.9083 -3.9039 -3.4690 -3.4678 -3.4518 -3.4451 -3.4404 -3.4360 4.3533 4.4210 6.2264 6.2591 8.0946 8.1120 8.1988 8.4555 8.6796 8.7390 9.2031 9.2653 9.5722 9.7351 10.3746 10.5630 10.7979 10.9189 16.1843 16.1935 17.0238 17.0240 k = 0.5855-0.1405 0.4082 ( 6557 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3957 -34.3897 -33.7449 -33.7444 -33.7393 -33.7332 -3.9132 -3.9130 -3.9084 -3.9040 -3.4690 -3.4678 -3.4517 -3.4453 -3.4401 -3.4360 4.3651 4.4294 6.1948 6.2240 8.1289 8.1528 8.2673 8.4557 8.7161 8.7632 9.2103 9.2678 9.5600 9.7134 10.3513 10.5167 10.7333 10.8352 16.1987 16.2077 16.9314 16.9324 k = 0.5789-0.1519 0.4082 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3955 -34.3899 -33.7448 -33.7444 -33.7392 -33.7334 -3.9131 -3.9128 -3.9086 -3.9042 -3.4690 -3.4679 -3.4516 -3.4455 -3.4398 -3.4360 4.3755 4.4361 6.1654 6.1914 8.1458 8.2085 8.3336 8.4557 8.7559 8.7909 9.2170 9.2684 9.5529 9.6970 10.3242 10.4595 10.6772 10.7539 16.2122 16.2208 16.8446 16.8463 k = 0.5724-0.1633 0.4082 ( 6557 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9382 -34.9382 -34.3953 -34.3901 -33.7447 -33.7444 -33.7391 -33.7337 -3.9130 -3.9125 -3.9088 -3.9044 -3.4690 -3.4679 -3.4515 -3.4458 -3.4395 -3.4360 4.3847 4.4412 6.1382 6.1612 8.1632 8.2611 8.3958 8.4550 8.7993 8.8232 9.2228 9.2674 9.5511 9.6858 10.2934 10.3943 10.6271 10.6750 16.2245 16.2327 16.7638 16.7661 k = 0.5658-0.1747 0.4082 ( 6561 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3951 -34.3903 -33.7446 -33.7444 -33.7389 -33.7339 -3.9129 -3.9122 -3.9089 -3.9046 -3.4689 -3.4680 -3.4513 -3.4460 -3.4392 -3.4360 4.3928 4.4449 6.1133 6.1335 8.1809 8.3097 8.4518 8.4537 8.8465 8.8611 9.2279 9.2653 9.5546 9.6795 10.2591 10.3246 10.5800 10.5988 16.2357 16.2435 16.6895 16.6921 k = 0.5592-0.1861 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3949 -34.3905 -33.7445 -33.7444 -33.7388 -33.7342 -3.9128 -3.9120 -3.9090 -3.9048 -3.4689 -3.4680 -3.4512 -3.4463 -3.4389 -3.4360 4.3999 4.4475 6.0909 6.1084 8.1989 8.3539 8.4513 8.4995 8.8976 8.9056 9.2323 9.2625 9.5630 9.6776 10.2218 10.2533 10.5254 10.5335 16.2457 16.2530 16.6219 16.6248 k = 0.5526-0.1975 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3947 -34.3907 -33.7445 -33.7443 -33.7386 -33.7344 -3.9127 -3.9117 -3.9091 -3.9051 -3.4689 -3.4680 -3.4510 -3.4466 -3.4386 -3.4360 4.4062 4.4489 6.0708 6.0859 8.2172 8.3935 8.4477 8.5380 8.9522 8.9569 9.2361 9.2600 9.5757 9.6789 10.1820 10.1828 10.4549 10.4862 16.2544 16.2610 16.5614 16.5643 k = 0.5461-0.2089 0.4082 ( 6551 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3945 -34.3910 -33.7444 -33.7443 -33.7384 -33.7347 -3.9126 -3.9116 -3.9091 -3.9054 -3.4689 -3.4681 -3.4508 -3.4469 -3.4384 -3.4360 4.4118 4.4495 6.0531 6.0660 8.2356 8.4277 8.4436 8.5671 9.0098 9.0139 9.2395 9.2586 9.5914 9.6820 10.1153 10.1410 10.3876 10.4378 16.2617 16.2676 16.5082 16.5111 k = 0.5395-0.2203 0.4082 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3943 -34.3912 -33.7444 -33.7443 -33.7382 -33.7350 -3.9124 -3.9114 -3.9091 -3.9057 -3.4688 -3.4682 -3.4505 -3.4472 -3.4381 -3.4361 4.4167 4.4493 6.0379 6.0486 8.2542 8.4340 8.4617 8.5873 9.0694 9.0742 9.2431 9.2599 9.6079 9.6841 10.0537 10.1008 10.3238 10.3880 16.2672 16.2724 16.4628 16.4654 k = 0.5329-0.2317 0.4082 ( 6565 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3940 -34.3915 -33.7443 -33.7443 -33.7380 -33.7353 -3.9123 -3.9113 -3.9090 -3.9060 -3.4688 -3.4682 -3.4503 -3.4475 -3.4378 -3.4362 4.4211 4.4485 6.0251 6.0338 8.2727 8.4259 8.4890 8.5999 9.1288 9.1329 9.2485 9.2673 9.6219 9.6810 10.0021 10.0642 10.2636 10.3372 16.2709 16.2752 16.4255 16.4277 k = 0.5263-0.2431 0.4082 ( 6559 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3938 -34.3917 -33.7443 -33.7443 -33.7378 -33.7356 -3.9122 -3.9113 -3.9088 -3.9063 -3.4687 -3.4683 -3.4501 -3.4478 -3.4376 -3.4363 4.4252 4.4472 6.0148 6.0216 8.2911 8.4158 8.5134 8.6061 9.1800 9.1818 9.2611 9.2891 9.6287 9.6670 9.9664 10.0356 10.2078 10.2859 16.2724 16.2757 16.3965 16.3983 k = 0.5197-0.2545 0.4082 ( 6543 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3935 -34.3920 -33.7443 -33.7442 -33.7375 -33.7359 -3.9121 -3.9114 -3.9085 -3.9066 -3.4687 -3.4683 -3.4498 -3.4481 -3.4374 -3.4364 4.4288 4.4454 6.0069 6.0120 8.3092 8.4040 8.5351 8.6068 9.2057 9.2128 9.2959 9.3332 9.6227 9.6374 9.9510 10.0193 10.1575 10.2353 16.2718 16.2740 16.3760 16.3771 k = 0.5132-0.2659 0.4082 ( 6530 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3932 -34.3922 -33.7442 -33.7442 -33.7373 -33.7362 -3.9119 -3.9114 -3.9083 -3.9070 -3.4686 -3.4684 -3.4496 -3.4484 -3.4372 -3.4365 4.4322 4.4433 6.0015 6.0049 8.3270 8.3908 8.5541 8.6030 9.2167 9.2226 9.3516 9.3909 9.5933 9.6003 9.9546 10.0158 10.1161 10.1868 16.2697 16.2711 16.3631 16.3636 k = 0.5066-0.2773 0.4082 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3930 -34.3925 -33.7442 -33.7442 -33.7370 -33.7365 -3.9118 -3.9115 -3.9080 -3.9073 -3.4686 -3.4685 -3.4493 -3.4487 -3.4370 -3.4366 4.4353 4.4409 5.9986 6.0003 8.3442 8.3763 8.5706 8.5953 9.2218 9.2249 9.4131 9.4505 9.5400 9.5626 9.9717 10.0132 10.0950 10.1427 16.2676 16.2682 16.3563 16.3565 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -80.3629 -80.3629 -47.2388 -47.2388 -34.9381 -34.9381 -34.3927 -34.3927 -33.7442 -33.7442 -33.7367 -33.7367 -3.9117 -3.9117 -3.9076 -3.9076 -3.4685 -3.4685 -3.4490 -3.4490 -3.4368 -3.4368 4.4382 4.4382 5.9982 5.9982 8.3607 8.3607 8.5844 8.5844 9.2243 9.2243 9.4716 9.4716 9.5164 9.5164 9.9952 9.9952 10.1080 10.1080 16.2669 16.2669 16.3542 16.3542 Writing output data file Li2GaIr.save init_run : 0.96s CPU 0.55s WALL ( 1 calls) electrons : 298.55s CPU 186.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 298.54s CPU 186.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.28s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.36s CPU 0.50s WALL ( 350 calls) cegterg : 246.70s CPU 155.73s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 213.25s CPU 122.25s WALL ( 6111 calls) s_psi : 7.17s CPU 4.47s WALL ( 6111 calls) g_psi : 0.43s CPU 0.26s WALL ( 5386 calls) cdiaghg : 44.26s CPU 34.28s WALL ( 5736 calls) cegterg:over : 8.86s CPU 6.10s WALL ( 5386 calls) cegterg:upda : 7.48s CPU 5.42s WALL ( 5386 calls) cegterg:last : 3.77s CPU 3.01s WALL ( 1063 calls) cdiaghg:chol : 2.56s CPU 1.98s WALL ( 5736 calls) cdiaghg:inve : 1.12s CPU 0.88s WALL ( 5736 calls) cdiaghg:para : 2.42s CPU 2.06s WALL ( 11472 calls) Called by h_psi: h_psi:vloc : 198.60s CPU 113.00s WALL ( 6111 calls) h_psi:vnl : 14.24s CPU 8.99s WALL ( 6111 calls) add_vuspsi : 7.90s CPU 4.84s WALL ( 6111 calls) General routines calbec : 6.28s CPU 4.14s WALL ( 6111 calls) fft : 0.08s CPU 0.04s WALL ( 15 calls) fftw : 190.01s CPU 107.57s WALL ( 566016 calls) davcio : 0.44s CPU 1.23s WALL ( 700 calls) Parallel routines fft_scatter : 67.76s CPU 41.27s WALL ( 566031 calls) PWSCF : 5m19.46s CPU 3m41.93s WALL This run was terminated on: 4: 4:53 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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