Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:34: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./NiHg4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 83 34 10 2913 765 121 Max 84 35 11 2916 789 124 Sum 3009 1255 367 104925 27979 4417 bravais-lattice index = 14 lattice parameter (alat) = 9.8455 a.u. unit-cell volume = 734.6661 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.845489 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 252 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0094340 -0.0066708 0.0115542), wk = 0.0039683 k( 3) = ( 0.0188679 -0.0133416 0.0231084), wk = 0.0039683 k( 4) = ( 0.0283019 -0.0200125 0.0346626), wk = 0.0039683 k( 5) = ( 0.0377359 -0.0266833 0.0462168), wk = 0.0039683 k( 6) = ( 0.0471698 -0.0333541 0.0577710), wk = 0.0039683 k( 7) = ( 0.0566038 -0.0400249 0.0693252), wk = 0.0039683 k( 8) = ( 0.0660377 -0.0466957 0.0808794), wk = 0.0039683 k( 9) = ( 0.0754717 -0.0533666 0.0924336), wk = 0.0039683 k( 10) = ( 0.0849057 -0.0600374 0.1039878), wk = 0.0039683 k( 11) = ( 0.0943396 -0.0667082 0.1155420), wk = 0.0039683 k( 12) = ( 0.1037736 -0.0733790 0.1270962), wk = 0.0039683 k( 13) = ( 0.1132076 -0.0800498 0.1386504), wk = 0.0039683 k( 14) = ( 0.1226415 -0.0867206 0.1502046), wk = 0.0039683 k( 15) = ( 0.1320755 -0.0933915 0.1617588), wk = 0.0039683 k( 16) = ( 0.1415094 -0.1000623 0.1733129), wk = 0.0039683 k( 17) = ( 0.1509434 -0.1067331 0.1848672), wk = 0.0039683 k( 18) = ( 0.1603774 -0.1134039 0.1964213), wk = 0.0039683 k( 19) = ( 0.1698113 -0.1200747 0.2079755), wk = 0.0039683 k( 20) = ( 0.1792453 -0.1267456 0.2195297), wk = 0.0039683 k( 21) = ( 0.1886792 -0.1334164 0.2310839), wk = 0.0039683 k( 22) = ( 0.1981132 -0.1400872 0.2426381), wk = 0.0039683 k( 23) = ( 0.2075472 -0.1467580 0.2541923), wk = 0.0039683 k( 24) = ( 0.2169811 -0.1534288 0.2657465), wk = 0.0039683 k( 25) = ( 0.2264151 -0.1600996 0.2773007), wk = 0.0039683 k( 26) = ( 0.2358491 -0.1667705 0.2888549), wk = 0.0039683 k( 27) = ( 0.2452830 -0.1734413 0.3004091), wk = 0.0039683 k( 28) = ( 0.2547170 -0.1801121 0.3119633), wk = 0.0039683 k( 29) = ( 0.2641509 -0.1867829 0.3235175), wk = 0.0039683 k( 30) = ( 0.2735849 -0.1934537 0.3350717), wk = 0.0039683 k( 31) = ( 0.2830189 -0.2001246 0.3466259), wk = 0.0039683 k( 32) = ( 0.2924528 -0.2067954 0.3581801), wk = 0.0039683 k( 33) = ( 0.3018868 -0.2134662 0.3697343), wk = 0.0039683 k( 34) = ( 0.3113207 -0.2201370 0.3812885), wk = 0.0039683 k( 35) = ( 0.3207547 -0.2268078 0.3928427), wk = 0.0039683 k( 36) = ( 0.3301887 -0.2334787 0.4043969), wk = 0.0039683 k( 37) = ( 0.3396226 -0.2401495 0.4159511), wk = 0.0039683 k( 38) = ( 0.3490566 -0.2468203 0.4275053), wk = 0.0039683 k( 39) = ( 0.3584906 -0.2534911 0.4390595), wk = 0.0039683 k( 40) = ( 0.3679245 -0.2601619 0.4506137), wk = 0.0039683 k( 41) = ( 0.3773585 -0.2668327 0.4621679), wk = 0.0039683 k( 42) = ( 0.3867925 -0.2735036 0.4737221), wk = 0.0039683 k( 43) = ( 0.3962264 -0.2801744 0.4852763), wk = 0.0039683 k( 44) = ( 0.4056604 -0.2868452 0.4968305), wk = 0.0039683 k( 45) = ( 0.4150943 -0.2935160 0.5083847), wk = 0.0039683 k( 46) = ( 0.4245283 -0.3001868 0.5199389), wk = 0.0039683 k( 47) = ( 0.4339623 -0.3068577 0.5314931), wk = 0.0039683 k( 48) = ( 0.4433962 -0.3135285 0.5430473), wk = 0.0039683 k( 49) = ( 0.4528302 -0.3201993 0.5546015), wk = 0.0039683 k( 50) = ( 0.4622641 -0.3268701 0.5661556), wk = 0.0039683 k( 51) = ( 0.4716981 -0.3335409 0.5777098), wk = 0.0039683 k( 52) = ( 0.4811321 -0.3402118 0.5892640), wk = 0.0039683 k( 53) = ( 0.4905660 -0.3468826 0.6008182), wk = 0.0039683 k( 54) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0039683 k( 55) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0039683 k( 56) = ( 0.4864865 -0.3439979 0.6123724), wk = 0.0039683 k( 57) = ( 0.4729730 -0.3344424 0.6123724), wk = 0.0039683 k( 58) = ( 0.4594595 -0.3248869 0.6123724), wk = 0.0039683 k( 59) = ( 0.4459459 -0.3153314 0.6123724), wk = 0.0039683 k( 60) = ( 0.4324324 -0.3057759 0.6123724), wk = 0.0039683 k( 61) = ( 0.4189189 -0.2962204 0.6123724), wk = 0.0039683 k( 62) = ( 0.4054054 -0.2866649 0.6123724), wk = 0.0039683 k( 63) = ( 0.3918919 -0.2771094 0.6123724), wk = 0.0039683 k( 64) = ( 0.3783784 -0.2675539 0.6123724), wk = 0.0039683 k( 65) = ( 0.3648649 -0.2579984 0.6123724), wk = 0.0039683 k( 66) = ( 0.3513514 -0.2484429 0.6123724), wk = 0.0039683 k( 67) = ( 0.3378378 -0.2388874 0.6123724), wk = 0.0039683 k( 68) = ( 0.3243243 -0.2293319 0.6123724), wk = 0.0039683 k( 69) = ( 0.3108108 -0.2197764 0.6123724), wk = 0.0039683 k( 70) = ( 0.2972973 -0.2102209 0.6123724), wk = 0.0039683 k( 71) = ( 0.2837838 -0.2006654 0.6123724), wk = 0.0039683 k( 72) = ( 0.2702703 -0.1911099 0.6123724), wk = 0.0039683 k( 73) = ( 0.2567568 -0.1815544 0.6123724), wk = 0.0039683 k( 74) = ( 0.2432432 -0.1719989 0.6123724), wk = 0.0039683 k( 75) = ( 0.2297297 -0.1624434 0.6123724), wk = 0.0039683 k( 76) = ( 0.2162162 -0.1528880 0.6123724), wk = 0.0039683 k( 77) = ( 0.2027027 -0.1433325 0.6123724), wk = 0.0039683 k( 78) = ( 0.1891892 -0.1337770 0.6123724), wk = 0.0039683 k( 79) = ( 0.1756757 -0.1242215 0.6123724), wk = 0.0039683 k( 80) = ( 0.1621622 -0.1146660 0.6123724), wk = 0.0039683 k( 81) = ( 0.1486486 -0.1051105 0.6123724), wk = 0.0039683 k( 82) = ( 0.1351351 -0.0955550 0.6123724), wk = 0.0039683 k( 83) = ( 0.1216216 -0.0859995 0.6123724), wk = 0.0039683 k( 84) = ( 0.1081081 -0.0764440 0.6123724), wk = 0.0039683 k( 85) = ( 0.0945946 -0.0668885 0.6123724), wk = 0.0039683 k( 86) = ( 0.0810811 -0.0573330 0.6123724), wk = 0.0039683 k( 87) = ( 0.0675676 -0.0477775 0.6123724), wk = 0.0039683 k( 88) = ( 0.0540540 -0.0382220 0.6123724), wk = 0.0039683 k( 89) = ( 0.0405405 -0.0286665 0.6123724), wk = 0.0039683 k( 90) = ( 0.0270270 -0.0191110 0.6123724), wk = 0.0039683 k( 91) = ( 0.0135135 -0.0095555 0.6123724), wk = 0.0039683 k( 92) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0039683 k( 93) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0039683 k( 94) = ( 0.0000000 0.0000000 0.5958218), wk = 0.0039683 k( 95) = ( 0.0000000 0.0000000 0.5792712), wk = 0.0039683 k( 96) = ( 0.0000000 0.0000000 0.5627206), wk = 0.0039683 k( 97) = ( 0.0000000 0.0000000 0.5461700), wk = 0.0039683 k( 98) = ( 0.0000000 0.0000000 0.5296194), wk = 0.0039683 k( 99) = ( 0.0000000 0.0000000 0.5130688), wk = 0.0039683 k( 100) = ( 0.0000000 0.0000000 0.4965182), wk = 0.0039683 k( 101) = ( 0.0000000 0.0000000 0.4799676), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.4634170), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.4468664), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.4303158), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.4137652), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.3972145), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.3806639), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.3641133), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.3475627), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.3310121), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.3144615), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.2979109), wk = 0.0039683 k( 113) = ( 0.0000000 0.0000000 0.2813603), wk = 0.0039683 k( 114) = ( 0.0000000 0.0000000 0.2648097), wk = 0.0039683 k( 115) = ( 0.0000000 0.0000000 0.2482591), wk = 0.0039683 k( 116) = ( 0.0000000 0.0000000 0.2317085), wk = 0.0039683 k( 117) = ( 0.0000000 0.0000000 0.2151579), wk = 0.0039683 k( 118) = ( 0.0000000 0.0000000 0.1986073), wk = 0.0039683 k( 119) = ( 0.0000000 0.0000000 0.1820567), wk = 0.0039683 k( 120) = ( 0.0000000 0.0000000 0.1655061), wk = 0.0039683 k( 121) = ( 0.0000000 0.0000000 0.1489555), wk = 0.0039683 k( 122) = ( 0.0000000 0.0000000 0.1324049), wk = 0.0039683 k( 123) = ( 0.0000000 0.0000000 0.1158542), wk = 0.0039683 k( 124) = ( 0.0000000 0.0000000 0.0993036), wk = 0.0039683 k( 125) = ( 0.0000000 0.0000000 0.0827530), wk = 0.0039683 k( 126) = ( 0.0000000 0.0000000 0.0662024), wk = 0.0039683 k( 127) = ( 0.0000000 0.0000000 0.0496518), wk = 0.0039683 k( 128) = ( 0.0000000 0.0000000 0.0331012), wk = 0.0039683 k( 129) = ( 0.0000000 0.0000000 0.0165506), wk = 0.0039683 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 132) = ( 0.0054348 0.0076859 0.0133124), wk = 0.0039683 k( 133) = ( 0.0108696 0.0153719 0.0266249), wk = 0.0039683 k( 134) = ( 0.0163043 0.0230578 0.0399373), wk = 0.0039683 k( 135) = ( 0.0217391 0.0307438 0.0532498), wk = 0.0039683 k( 136) = ( 0.0271739 0.0384297 0.0665622), wk = 0.0039683 k( 137) = ( 0.0326087 0.0461157 0.0798747), wk = 0.0039683 k( 138) = ( 0.0380435 0.0538016 0.0931871), wk = 0.0039683 k( 139) = ( 0.0434783 0.0614875 0.1064996), wk = 0.0039683 k( 140) = ( 0.0489130 0.0691735 0.1198120), wk = 0.0039683 k( 141) = ( 0.0543478 0.0768594 0.1331245), wk = 0.0039683 k( 142) = ( 0.0597826 0.0845454 0.1464369), wk = 0.0039683 k( 143) = ( 0.0652174 0.0922313 0.1597493), wk = 0.0039683 k( 144) = ( 0.0706522 0.0999173 0.1730618), wk = 0.0039683 k( 145) = ( 0.0760870 0.1076032 0.1863742), wk = 0.0039683 k( 146) = ( 0.0815217 0.1152892 0.1996867), wk = 0.0039683 k( 147) = ( 0.0869565 0.1229751 0.2129991), wk = 0.0039683 k( 148) = ( 0.0923913 0.1306610 0.2263115), wk = 0.0039683 k( 149) = ( 0.0978261 0.1383470 0.2396240), wk = 0.0039683 k( 150) = ( 0.1032609 0.1460329 0.2529364), wk = 0.0039683 k( 151) = ( 0.1086957 0.1537189 0.2662489), wk = 0.0039683 k( 152) = ( 0.1141304 0.1614048 0.2795613), wk = 0.0039683 k( 153) = ( 0.1195652 0.1690908 0.2928738), wk = 0.0039683 k( 154) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0039683 k( 155) = ( 0.1304348 0.1844626 0.3194987), wk = 0.0039683 k( 156) = ( 0.1358696 0.1921486 0.3328111), wk = 0.0039683 k( 157) = ( 0.1413043 0.1998345 0.3461236), wk = 0.0039683 k( 158) = ( 0.1467391 0.2075205 0.3594360), wk = 0.0039683 k( 159) = ( 0.1521739 0.2152064 0.3727484), wk = 0.0039683 k( 160) = ( 0.1576087 0.2228924 0.3860609), wk = 0.0039683 k( 161) = ( 0.1630435 0.2305783 0.3993733), wk = 0.0039683 k( 162) = ( 0.1684783 0.2382642 0.4126858), wk = 0.0039683 k( 163) = ( 0.1739130 0.2459502 0.4259982), wk = 0.0039683 k( 164) = ( 0.1793478 0.2536361 0.4393107), wk = 0.0039683 k( 165) = ( 0.1847826 0.2613221 0.4526231), wk = 0.0039683 k( 166) = ( 0.1902174 0.2690080 0.4659355), wk = 0.0039683 k( 167) = ( 0.1956522 0.2766940 0.4792480), wk = 0.0039683 k( 168) = ( 0.2010870 0.2843799 0.4925604), wk = 0.0039683 k( 169) = ( 0.2065217 0.2920658 0.5058729), wk = 0.0039683 k( 170) = ( 0.2119565 0.2997518 0.5191853), wk = 0.0039683 k( 171) = ( 0.2173913 0.3074377 0.5324978), wk = 0.0039683 k( 172) = ( 0.2228261 0.3151237 0.5458102), wk = 0.0039683 k( 173) = ( 0.2282609 0.3228096 0.5591227), wk = 0.0039683 k( 174) = ( 0.2336957 0.3304956 0.5724351), wk = 0.0039683 k( 175) = ( 0.2391304 0.3381815 0.5857475), wk = 0.0039683 k( 176) = ( 0.2445652 0.3458675 0.5990600), wk = 0.0039683 k( 177) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0039683 k( 178) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0039683 k( 179) = ( 0.2554348 0.3381815 0.6123724), wk = 0.0039683 k( 180) = ( 0.2608696 0.3228096 0.6123724), wk = 0.0039683 k( 181) = ( 0.2663044 0.3074377 0.6123724), wk = 0.0039683 k( 182) = ( 0.2717391 0.2920658 0.6123724), wk = 0.0039683 k( 183) = ( 0.2771739 0.2766940 0.6123724), wk = 0.0039683 k( 184) = ( 0.2826087 0.2613221 0.6123724), wk = 0.0039683 k( 185) = ( 0.2880435 0.2459502 0.6123724), wk = 0.0039683 k( 186) = ( 0.2934783 0.2305783 0.6123724), wk = 0.0039683 k( 187) = ( 0.2989130 0.2152064 0.6123724), wk = 0.0039683 k( 188) = ( 0.3043478 0.1998345 0.6123724), wk = 0.0039683 k( 189) = ( 0.3097826 0.1844626 0.6123724), wk = 0.0039683 k( 190) = ( 0.3152174 0.1690908 0.6123724), wk = 0.0039683 k( 191) = ( 0.3206522 0.1537189 0.6123724), wk = 0.0039683 k( 192) = ( 0.3260870 0.1383470 0.6123724), wk = 0.0039683 k( 193) = ( 0.3315217 0.1229751 0.6123724), wk = 0.0039683 k( 194) = ( 0.3369565 0.1076032 0.6123724), wk = 0.0039683 k( 195) = ( 0.3423913 0.0922313 0.6123724), wk = 0.0039683 k( 196) = ( 0.3478261 0.0768594 0.6123724), wk = 0.0039683 k( 197) = ( 0.3532609 0.0614875 0.6123724), wk = 0.0039683 k( 198) = ( 0.3586956 0.0461157 0.6123724), wk = 0.0039683 k( 199) = ( 0.3641304 0.0307438 0.6123724), wk = 0.0039683 k( 200) = ( 0.3695652 0.0153719 0.6123724), wk = 0.0039683 k( 201) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0039683 k( 202) = ( 0.3804348 -0.0153719 0.6123724), wk = 0.0039683 k( 203) = ( 0.3858696 -0.0307438 0.6123724), wk = 0.0039683 k( 204) = ( 0.3913044 -0.0461157 0.6123724), wk = 0.0039683 k( 205) = ( 0.3967391 -0.0614875 0.6123724), wk = 0.0039683 k( 206) = ( 0.4021739 -0.0768594 0.6123724), wk = 0.0039683 k( 207) = ( 0.4076087 -0.0922313 0.6123724), wk = 0.0039683 k( 208) = ( 0.4130435 -0.1076032 0.6123724), wk = 0.0039683 k( 209) = ( 0.4184783 -0.1229751 0.6123724), wk = 0.0039683 k( 210) = ( 0.4239130 -0.1383470 0.6123724), wk = 0.0039683 k( 211) = ( 0.4293478 -0.1537189 0.6123724), wk = 0.0039683 k( 212) = ( 0.4347826 -0.1690908 0.6123724), wk = 0.0039683 k( 213) = ( 0.4402174 -0.1844626 0.6123724), wk = 0.0039683 k( 214) = ( 0.4456522 -0.1998345 0.6123724), wk = 0.0039683 k( 215) = ( 0.4510870 -0.2152064 0.6123724), wk = 0.0039683 k( 216) = ( 0.4565217 -0.2305783 0.6123724), wk = 0.0039683 k( 217) = ( 0.4619565 -0.2459502 0.6123724), wk = 0.0039683 k( 218) = ( 0.4673913 -0.2613221 0.6123724), wk = 0.0039683 k( 219) = ( 0.4728261 -0.2766940 0.6123724), wk = 0.0039683 k( 220) = ( 0.4782609 -0.2920658 0.6123724), wk = 0.0039683 k( 221) = ( 0.4836956 -0.3074377 0.6123724), wk = 0.0039683 k( 222) = ( 0.4891304 -0.3228096 0.6123724), wk = 0.0039683 k( 223) = ( 0.4945652 -0.3381815 0.6123724), wk = 0.0039683 k( 224) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0039683 k( 225) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0039683 k( 226) = ( 0.2407407 0.3404588 0.6123724), wk = 0.0039683 k( 227) = ( 0.2314815 0.3273642 0.6123724), wk = 0.0039683 k( 228) = ( 0.2222222 0.3142697 0.6123724), wk = 0.0039683 k( 229) = ( 0.2129630 0.3011751 0.6123724), wk = 0.0039683 k( 230) = ( 0.2037037 0.2880805 0.6123724), wk = 0.0039683 k( 231) = ( 0.1944444 0.2749860 0.6123724), wk = 0.0039683 k( 232) = ( 0.1851852 0.2618914 0.6123724), wk = 0.0039683 k( 233) = ( 0.1759259 0.2487968 0.6123724), wk = 0.0039683 k( 234) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0039683 k( 235) = ( 0.1574074 0.2226077 0.6123724), wk = 0.0039683 k( 236) = ( 0.1481482 0.2095131 0.6123724), wk = 0.0039683 k( 237) = ( 0.1388889 0.1964186 0.6123724), wk = 0.0039683 k( 238) = ( 0.1296296 0.1833240 0.6123724), wk = 0.0039683 k( 239) = ( 0.1203704 0.1702294 0.6123724), wk = 0.0039683 k( 240) = ( 0.1111111 0.1571348 0.6123724), wk = 0.0039683 k( 241) = ( 0.1018518 0.1440403 0.6123724), wk = 0.0039683 k( 242) = ( 0.0925926 0.1309457 0.6123724), wk = 0.0039683 k( 243) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0039683 k( 244) = ( 0.0740741 0.1047566 0.6123724), wk = 0.0039683 k( 245) = ( 0.0648148 0.0916620 0.6123724), wk = 0.0039683 k( 246) = ( 0.0555556 0.0785674 0.6123724), wk = 0.0039683 k( 247) = ( 0.0462963 0.0654729 0.6123724), wk = 0.0039683 k( 248) = ( 0.0370370 0.0523783 0.6123724), wk = 0.0039683 k( 249) = ( 0.0277778 0.0392837 0.6123724), wk = 0.0039683 k( 250) = ( 0.0185185 0.0261891 0.6123724), wk = 0.0039683 k( 251) = ( 0.0092593 0.0130946 0.6123724), wk = 0.0039683 k( 252) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0039683 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0094340 -0.0094340 0.0094340), wk = 0.0039683 k( 3) = ( 0.0188679 -0.0188679 0.0188679), wk = 0.0039683 k( 4) = ( 0.0283019 -0.0283019 0.0283019), wk = 0.0039683 k( 5) = ( 0.0377359 -0.0377359 0.0377359), wk = 0.0039683 k( 6) = ( 0.0471698 -0.0471698 0.0471698), wk = 0.0039683 k( 7) = ( 0.0566038 -0.0566038 0.0566038), wk = 0.0039683 k( 8) = ( 0.0660377 -0.0660377 0.0660377), wk = 0.0039683 k( 9) = ( 0.0754717 -0.0754717 0.0754717), wk = 0.0039683 k( 10) = ( 0.0849057 -0.0849057 0.0849057), wk = 0.0039683 k( 11) = ( 0.0943396 -0.0943396 0.0943396), wk = 0.0039683 k( 12) = ( 0.1037736 -0.1037736 0.1037736), wk = 0.0039683 k( 13) = ( 0.1132076 -0.1132075 0.1132076), wk = 0.0039683 k( 14) = ( 0.1226415 -0.1226415 0.1226415), wk = 0.0039683 k( 15) = ( 0.1320755 -0.1320755 0.1320755), wk = 0.0039683 k( 16) = ( 0.1415094 -0.1415094 0.1415094), wk = 0.0039683 k( 17) = ( 0.1509434 -0.1509434 0.1509434), wk = 0.0039683 k( 18) = ( 0.1603774 -0.1603774 0.1603774), wk = 0.0039683 k( 19) = ( 0.1698113 -0.1698113 0.1698113), wk = 0.0039683 k( 20) = ( 0.1792453 -0.1792453 0.1792453), wk = 0.0039683 k( 21) = ( 0.1886792 -0.1886792 0.1886793), wk = 0.0039683 k( 22) = ( 0.1981132 -0.1981132 0.1981132), wk = 0.0039683 k( 23) = ( 0.2075472 -0.2075472 0.2075472), wk = 0.0039683 k( 24) = ( 0.2169811 -0.2169811 0.2169811), wk = 0.0039683 k( 25) = ( 0.2264151 -0.2264151 0.2264151), wk = 0.0039683 k( 26) = ( 0.2358491 -0.2358491 0.2358491), wk = 0.0039683 k( 27) = ( 0.2452830 -0.2452830 0.2452830), wk = 0.0039683 k( 28) = ( 0.2547170 -0.2547170 0.2547170), wk = 0.0039683 k( 29) = ( 0.2641509 -0.2641509 0.2641509), wk = 0.0039683 k( 30) = ( 0.2735849 -0.2735849 0.2735849), wk = 0.0039683 k( 31) = ( 0.2830189 -0.2830189 0.2830189), wk = 0.0039683 k( 32) = ( 0.2924528 -0.2924528 0.2924528), wk = 0.0039683 k( 33) = ( 0.3018868 -0.3018868 0.3018868), wk = 0.0039683 k( 34) = ( 0.3113207 -0.3113207 0.3113208), wk = 0.0039683 k( 35) = ( 0.3207547 -0.3207547 0.3207547), wk = 0.0039683 k( 36) = ( 0.3301887 -0.3301887 0.3301887), wk = 0.0039683 k( 37) = ( 0.3396226 -0.3396226 0.3396226), wk = 0.0039683 k( 38) = ( 0.3490566 -0.3490566 0.3490566), wk = 0.0039683 k( 39) = ( 0.3584906 -0.3584906 0.3584906), wk = 0.0039683 k( 40) = ( 0.3679245 -0.3679245 0.3679245), wk = 0.0039683 k( 41) = ( 0.3773585 -0.3773585 0.3773585), wk = 0.0039683 k( 42) = ( 0.3867925 -0.3867925 0.3867925), wk = 0.0039683 k( 43) = ( 0.3962264 -0.3962264 0.3962264), wk = 0.0039683 k( 44) = ( 0.4056604 -0.4056604 0.4056604), wk = 0.0039683 k( 45) = ( 0.4150943 -0.4150943 0.4150943), wk = 0.0039683 k( 46) = ( 0.4245283 -0.4245283 0.4245283), wk = 0.0039683 k( 47) = ( 0.4339623 -0.4339623 0.4339623), wk = 0.0039683 k( 48) = ( 0.4433962 -0.4433962 0.4433962), wk = 0.0039683 k( 49) = ( 0.4528302 -0.4528302 0.4528302), wk = 0.0039683 k( 50) = ( 0.4622641 -0.4622641 0.4622642), wk = 0.0039683 k( 51) = ( 0.4716981 -0.4716981 0.4716981), wk = 0.0039683 k( 52) = ( 0.4811321 -0.4811321 0.4811321), wk = 0.0039683 k( 53) = ( 0.4905660 -0.4905660 0.4905660), wk = 0.0039683 k( 54) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0039683 k( 55) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0039683 k( 56) = ( 0.4864865 -0.4864865 0.5000000), wk = 0.0039683 k( 57) = ( 0.4729730 -0.4729730 0.5000000), wk = 0.0039683 k( 58) = ( 0.4594595 -0.4594595 0.5000000), wk = 0.0039683 k( 59) = ( 0.4459459 -0.4459459 0.5000000), wk = 0.0039683 k( 60) = ( 0.4324324 -0.4324324 0.5000000), wk = 0.0039683 k( 61) = ( 0.4189189 -0.4189189 0.5000000), wk = 0.0039683 k( 62) = ( 0.4054054 -0.4054054 0.5000000), wk = 0.0039683 k( 63) = ( 0.3918919 -0.3918919 0.5000000), wk = 0.0039683 k( 64) = ( 0.3783784 -0.3783784 0.5000000), wk = 0.0039683 k( 65) = ( 0.3648649 -0.3648649 0.5000000), wk = 0.0039683 k( 66) = ( 0.3513514 -0.3513514 0.5000000), wk = 0.0039683 k( 67) = ( 0.3378378 -0.3378378 0.5000000), wk = 0.0039683 k( 68) = ( 0.3243243 -0.3243243 0.5000000), wk = 0.0039683 k( 69) = ( 0.3108108 -0.3108108 0.5000000), wk = 0.0039683 k( 70) = ( 0.2972973 -0.2972973 0.5000000), wk = 0.0039683 k( 71) = ( 0.2837838 -0.2837838 0.5000000), wk = 0.0039683 k( 72) = ( 0.2702703 -0.2702703 0.5000000), wk = 0.0039683 k( 73) = ( 0.2567568 -0.2567568 0.5000000), wk = 0.0039683 k( 74) = ( 0.2432432 -0.2432432 0.5000000), wk = 0.0039683 k( 75) = ( 0.2297297 -0.2297297 0.5000000), wk = 0.0039683 k( 76) = ( 0.2162162 -0.2162162 0.5000000), wk = 0.0039683 k( 77) = ( 0.2027027 -0.2027027 0.5000000), wk = 0.0039683 k( 78) = ( 0.1891892 -0.1891892 0.5000000), wk = 0.0039683 k( 79) = ( 0.1756757 -0.1756757 0.5000000), wk = 0.0039683 k( 80) = ( 0.1621622 -0.1621622 0.5000000), wk = 0.0039683 k( 81) = ( 0.1486486 -0.1486486 0.5000000), wk = 0.0039683 k( 82) = ( 0.1351351 -0.1351351 0.5000000), wk = 0.0039683 k( 83) = ( 0.1216216 -0.1216216 0.5000000), wk = 0.0039683 k( 84) = ( 0.1081081 -0.1081081 0.5000000), wk = 0.0039683 k( 85) = ( 0.0945946 -0.0945946 0.5000000), wk = 0.0039683 k( 86) = ( 0.0810811 -0.0810811 0.5000000), wk = 0.0039683 k( 87) = ( 0.0675676 -0.0675676 0.5000000), wk = 0.0039683 k( 88) = ( 0.0540540 -0.0540540 0.5000000), wk = 0.0039683 k( 89) = ( 0.0405405 -0.0405405 0.5000000), wk = 0.0039683 k( 90) = ( 0.0270270 -0.0270270 0.5000000), wk = 0.0039683 k( 91) = ( 0.0135135 -0.0135135 0.5000000), wk = 0.0039683 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 94) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0039683 k( 95) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0039683 k( 96) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0039683 k( 97) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0039683 k( 98) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0039683 k( 99) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0039683 k( 100) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0039683 k( 101) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0039683 k( 113) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0039683 k( 114) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0039683 k( 115) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0039683 k( 116) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0039683 k( 117) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0039683 k( 118) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0039683 k( 119) = ( 0.0000000 0.0000000 0.1486487), wk = 0.0039683 k( 120) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0039683 k( 121) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0039683 k( 122) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0039683 k( 123) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0039683 k( 124) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0039683 k( 125) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0039683 k( 126) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0039683 k( 127) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0039683 k( 128) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0039683 k( 129) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0039683 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 132) = ( 0.0054348 0.0054348 0.0054348), wk = 0.0039683 k( 133) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0039683 k( 134) = ( 0.0163043 0.0163044 0.0163043), wk = 0.0039683 k( 135) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0039683 k( 136) = ( 0.0271739 0.0271739 0.0271739), wk = 0.0039683 k( 137) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0039683 k( 138) = ( 0.0380435 0.0380435 0.0380435), wk = 0.0039683 k( 139) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0039683 k( 140) = ( 0.0489130 0.0489130 0.0489130), wk = 0.0039683 k( 141) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0039683 k( 142) = ( 0.0597826 0.0597826 0.0597826), wk = 0.0039683 k( 143) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0039683 k( 144) = ( 0.0706522 0.0706522 0.0706522), wk = 0.0039683 k( 145) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0039683 k( 146) = ( 0.0815217 0.0815217 0.0815217), wk = 0.0039683 k( 147) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0039683 k( 148) = ( 0.0923913 0.0923913 0.0923913), wk = 0.0039683 k( 149) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0039683 k( 150) = ( 0.1032609 0.1032609 0.1032609), wk = 0.0039683 k( 151) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0039683 k( 152) = ( 0.1141304 0.1141304 0.1141304), wk = 0.0039683 k( 153) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0039683 k( 154) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039683 k( 155) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0039683 k( 156) = ( 0.1358696 0.1358696 0.1358696), wk = 0.0039683 k( 157) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0039683 k( 158) = ( 0.1467391 0.1467391 0.1467391), wk = 0.0039683 k( 159) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0039683 k( 160) = ( 0.1576087 0.1576087 0.1576087), wk = 0.0039683 k( 161) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0039683 k( 162) = ( 0.1684783 0.1684783 0.1684783), wk = 0.0039683 k( 163) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0039683 k( 164) = ( 0.1793478 0.1793478 0.1793478), wk = 0.0039683 k( 165) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0039683 k( 166) = ( 0.1902174 0.1902174 0.1902174), wk = 0.0039683 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0039683 k( 168) = ( 0.2010870 0.2010870 0.2010870), wk = 0.0039683 k( 169) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0039683 k( 170) = ( 0.2119565 0.2119565 0.2119565), wk = 0.0039683 k( 171) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0039683 k( 172) = ( 0.2228261 0.2228261 0.2228261), wk = 0.0039683 k( 173) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0039683 k( 174) = ( 0.2336957 0.2336957 0.2336957), wk = 0.0039683 k( 175) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0039683 k( 176) = ( 0.2445652 0.2445652 0.2445652), wk = 0.0039683 k( 177) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039683 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039683 k( 179) = ( 0.2554348 0.2336957 0.2554348), wk = 0.0039683 k( 180) = ( 0.2608696 0.2173913 0.2608696), wk = 0.0039683 k( 181) = ( 0.2663044 0.2010870 0.2663044), wk = 0.0039683 k( 182) = ( 0.2717391 0.1847826 0.2717391), wk = 0.0039683 k( 183) = ( 0.2771739 0.1684783 0.2771739), wk = 0.0039683 k( 184) = ( 0.2826087 0.1521739 0.2826087), wk = 0.0039683 k( 185) = ( 0.2880435 0.1358696 0.2880435), wk = 0.0039683 k( 186) = ( 0.2934783 0.1195652 0.2934783), wk = 0.0039683 k( 187) = ( 0.2989130 0.1032609 0.2989130), wk = 0.0039683 k( 188) = ( 0.3043478 0.0869565 0.3043478), wk = 0.0039683 k( 189) = ( 0.3097826 0.0706522 0.3097826), wk = 0.0039683 k( 190) = ( 0.3152174 0.0543478 0.3152174), wk = 0.0039683 k( 191) = ( 0.3206522 0.0380435 0.3206522), wk = 0.0039683 k( 192) = ( 0.3260870 0.0217391 0.3260870), wk = 0.0039683 k( 193) = ( 0.3315217 0.0054348 0.3315217), wk = 0.0039683 k( 194) = ( 0.3369565 -0.0108696 0.3369565), wk = 0.0039683 k( 195) = ( 0.3423913 -0.0271739 0.3423913), wk = 0.0039683 k( 196) = ( 0.3478261 -0.0434783 0.3478261), wk = 0.0039683 k( 197) = ( 0.3532609 -0.0597826 0.3532609), wk = 0.0039683 k( 198) = ( 0.3586956 -0.0760870 0.3586957), wk = 0.0039683 k( 199) = ( 0.3641304 -0.0923913 0.3641304), wk = 0.0039683 k( 200) = ( 0.3695652 -0.1086957 0.3695652), wk = 0.0039683 k( 201) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0039683 k( 202) = ( 0.3804348 -0.1413043 0.3804348), wk = 0.0039683 k( 203) = ( 0.3858696 -0.1576087 0.3858696), wk = 0.0039683 k( 204) = ( 0.3913044 -0.1739130 0.3913044), wk = 0.0039683 k( 205) = ( 0.3967391 -0.1902174 0.3967391), wk = 0.0039683 k( 206) = ( 0.4021739 -0.2065217 0.4021739), wk = 0.0039683 k( 207) = ( 0.4076087 -0.2228261 0.4076087), wk = 0.0039683 k( 208) = ( 0.4130435 -0.2391304 0.4130435), wk = 0.0039683 k( 209) = ( 0.4184783 -0.2554348 0.4184783), wk = 0.0039683 k( 210) = ( 0.4239130 -0.2717391 0.4239130), wk = 0.0039683 k( 211) = ( 0.4293478 -0.2880435 0.4293478), wk = 0.0039683 k( 212) = ( 0.4347826 -0.3043478 0.4347826), wk = 0.0039683 k( 213) = ( 0.4402174 -0.3206522 0.4402174), wk = 0.0039683 k( 214) = ( 0.4456522 -0.3369565 0.4456522), wk = 0.0039683 k( 215) = ( 0.4510870 -0.3532609 0.4510870), wk = 0.0039683 k( 216) = ( 0.4565217 -0.3695652 0.4565217), wk = 0.0039683 k( 217) = ( 0.4619565 -0.3858696 0.4619565), wk = 0.0039683 k( 218) = ( 0.4673913 -0.4021739 0.4673913), wk = 0.0039683 k( 219) = ( 0.4728261 -0.4184783 0.4728261), wk = 0.0039683 k( 220) = ( 0.4782609 -0.4347826 0.4782609), wk = 0.0039683 k( 221) = ( 0.4836956 -0.4510870 0.4836957), wk = 0.0039683 k( 222) = ( 0.4891304 -0.4673913 0.4891304), wk = 0.0039683 k( 223) = ( 0.4945652 -0.4836956 0.4945652), wk = 0.0039683 k( 224) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0039683 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039683 k( 226) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0039683 k( 227) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0039683 k( 228) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0039683 k( 229) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0039683 k( 230) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0039683 k( 231) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0039683 k( 232) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0039683 k( 233) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0039683 k( 234) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0039683 k( 235) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0039683 k( 236) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0039683 k( 237) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0039683 k( 238) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0039683 k( 239) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0039683 k( 240) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0039683 k( 241) = ( 0.1018518 0.1018518 0.3981482), wk = 0.0039683 k( 242) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0039683 k( 243) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0039683 k( 244) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0039683 k( 245) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0039683 k( 246) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0039683 k( 247) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0039683 k( 248) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0039683 k( 249) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0039683 k( 250) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0039683 k( 251) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0039683 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 Dense grid: 104925 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27979 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 202, 70) NL pseudopotentials 0.26 Mb ( 101, 170) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2914) G-vector shells 0.00 Mb ( 490) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 202, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.36 Mb ( 170, 2, 70) The potential is recalculated from file : ./NiHg4.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.2 secs Computing kpt #: 10 total cpu time spent up to now is 11.1 secs Computing kpt #: 11 total cpu time spent up to now is 12.0 secs Computing kpt #: 12 total cpu time spent up to now is 13.0 secs Computing kpt #: 13 total cpu time spent up to now is 13.9 secs Computing kpt #: 14 total cpu time spent up to now is 14.8 secs Computing kpt #: 15 total cpu time spent up to now is 15.8 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.8 secs Computing kpt #: 18 total cpu time spent up to now is 18.8 secs Computing kpt #: 19 total cpu time spent up to now is 19.9 secs Computing kpt #: 20 total cpu time spent up to now is 21.4 secs Computing kpt #: 21 total cpu time spent up to now is 23.0 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.5 secs Computing kpt #: 23 total cpu time spent up to now is 27.7 secs Computing kpt #: 24 total cpu time spent up to now is 29.9 secs Computing kpt #: 25 total cpu time spent up to now is 32.2 secs Computing kpt #: 26 total cpu time spent up to now is 33.7 secs Computing kpt #: 27 total cpu time spent up to now is 35.4 secs Computing kpt #: 28 total cpu time spent up to now is 36.9 secs Computing kpt #: 29 total cpu time spent up to now is 38.3 secs Computing kpt #: 30 total cpu time spent up to now is 39.5 secs Computing kpt #: 31 total cpu time spent up to now is 40.7 secs Computing kpt #: 32 total cpu time spent up to now is 41.9 secs Computing kpt #: 33 total cpu time spent up to now is 43.0 secs Computing kpt #: 34 total cpu time spent up to now is 44.1 secs Computing kpt #: 35 total cpu time spent up to now is 45.2 secs Computing kpt #: 36 total cpu time spent up to now is 46.3 secs Computing kpt #: 37 total cpu time spent up to now is 47.5 secs Computing kpt #: 38 total cpu time spent up to now is 48.7 secs Computing kpt #: 39 total cpu time spent up to now is 50.2 secs Computing kpt #: 40 total cpu time spent up to now is 51.8 secs Computing kpt #: 41 total cpu time spent up to now is 52.9 secs Computing kpt #: 42 total cpu time spent up to now is 54.0 secs Computing kpt #: 43 total cpu time spent up to now is 55.1 secs Computing kpt #: 44 total cpu time spent up to now is 56.1 secs Computing kpt #: 45 total cpu time spent up to now is 57.1 secs Computing kpt #: 46 total cpu time spent up to now is 58.1 secs Computing kpt #: 47 total cpu time spent up to now is 59.1 secs Computing kpt #: 48 total cpu time spent up to now is 60.0 secs Computing kpt #: 49 total cpu time spent up to now is 60.9 secs Computing kpt #: 50 total cpu time spent up to now is 61.8 secs Computing kpt #: 51 total cpu time spent up to now is 62.7 secs Computing kpt #: 52 total cpu time spent up to now is 63.5 secs Computing kpt #: 53 total cpu time spent up to now is 64.3 secs Computing kpt #: 54 total cpu time spent up to now is 65.2 secs Computing kpt #: 55 total cpu time spent up to now is 66.0 secs Computing kpt #: 56 total cpu time spent up to now is 66.8 secs Computing kpt #: 57 total cpu time spent up to now is 67.7 secs Computing kpt #: 58 total cpu time spent up to now is 68.5 secs Computing kpt #: 59 total cpu time spent up to now is 69.4 secs Computing kpt #: 60 total cpu time spent up to now is 70.4 secs Computing kpt #: 61 total cpu time spent up to now is 71.4 secs Computing kpt #: 62 total cpu time spent up to now is 72.4 secs Computing kpt #: 63 total cpu time spent up to now is 73.4 secs Computing kpt #: 64 total cpu time spent up to now is 74.4 secs Computing kpt #: 65 total cpu time spent up to now is 75.5 secs Computing kpt #: 66 total cpu time spent up to now is 76.5 secs Computing kpt #: 67 total cpu time spent up to now is 77.5 secs Computing kpt #: 68 total cpu time spent up to now is 78.5 secs Computing kpt #: 69 total cpu time spent up to now is 79.6 secs Computing kpt #: 70 total cpu time spent up to now is 80.6 secs Computing kpt #: 71 total cpu time spent up to now is 81.7 secs Computing kpt #: 72 total cpu time spent up to now is 82.7 secs Computing kpt #: 73 total cpu time spent up to now is 83.8 secs Computing kpt #: 74 total cpu time spent up to now is 84.8 secs Computing kpt #: 75 total cpu time spent up to now is 85.9 secs Computing kpt #: 76 total cpu time spent up to now is 86.9 secs Computing kpt #: 77 total cpu time spent up to now is 88.0 secs Computing kpt #: 78 total cpu time spent up to now is 89.2 secs Computing kpt #: 79 total cpu time spent up to now is 90.6 secs Computing kpt #: 80 total cpu time spent up to now is 92.5 secs Computing kpt #: 81 total cpu time spent up to now is 93.9 secs Computing kpt #: 82 total cpu time spent up to now is 95.2 secs Computing kpt #: 83 total cpu time spent up to now is 96.5 secs Computing kpt #: 84 total cpu time spent up to now is 98.1 secs Computing kpt #: 85 total cpu time spent up to now is 99.5 secs Computing kpt #: 86 total cpu time spent up to now is 100.8 secs Computing kpt #: 87 total cpu time spent up to now is 101.8 secs Computing kpt #: 88 total cpu time spent up to now is 102.9 secs Computing kpt #: 89 total cpu time spent up to now is 103.9 secs Computing kpt #: 90 total cpu time spent up to now is 104.8 secs Computing kpt #: 91 total cpu time spent up to now is 105.7 secs Computing kpt #: 92 total cpu time spent up to now is 106.6 secs Computing kpt #: 93 total cpu time spent up to now is 107.5 secs Computing kpt #: 94 total cpu time spent up to now is 108.5 secs Computing kpt #: 95 total cpu time spent up to now is 109.4 secs Computing kpt #: 96 total cpu time spent up to now is 110.4 secs Computing kpt #: 97 total cpu time spent up to now is 111.5 secs Computing kpt #: 98 total cpu time spent up to now is 112.6 secs Computing kpt #: 99 total cpu time spent up to now is 113.8 secs Computing kpt #: 100 total cpu time spent up to now is 115.2 secs Computing kpt #: 101 total cpu time spent up to now is 117.2 secs Computing kpt #: 102 total cpu time spent up to now is 118.5 secs Computing kpt #: 103 total cpu time spent up to now is 119.8 secs Computing kpt #: 104 total cpu time spent up to now is 121.5 secs Computing kpt #: 105 total cpu time spent up to now is 123.0 secs Computing kpt #: 106 total cpu time spent up to now is 124.2 secs Computing kpt #: 107 total cpu time spent up to now is 125.2 secs Computing kpt #: 108 total cpu time spent up to now is 126.3 secs Computing kpt #: 109 total cpu time spent up to now is 127.3 secs Computing kpt #: 110 total cpu time spent up to now is 128.2 secs Computing kpt #: 111 total cpu time spent up to now is 129.1 secs Computing kpt #: 112 total cpu time spent up to now is 130.1 secs Computing kpt #: 113 total cpu time spent up to now is 131.0 secs Computing kpt #: 114 total cpu time spent up to now is 132.0 secs Computing kpt #: 115 total cpu time spent up to now is 132.9 secs Computing kpt #: 116 total cpu time spent up to now is 133.8 secs Computing kpt #: 117 total cpu time spent up to now is 134.8 secs Computing kpt #: 118 total cpu 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up to now is 149.2 secs Computing kpt #: 134 total cpu time spent up to now is 150.1 secs Computing kpt #: 135 total cpu time spent up to now is 151.0 secs Computing kpt #: 136 total cpu time spent up to now is 151.9 secs Computing kpt #: 137 total cpu time spent up to now is 152.8 secs Computing kpt #: 138 total cpu time spent up to now is 153.7 secs Computing kpt #: 139 total cpu time spent up to now is 154.7 secs Computing kpt #: 140 total cpu time spent up to now is 155.6 secs Computing kpt #: 141 total cpu time spent up to now is 156.5 secs Computing kpt #: 142 total cpu time spent up to now is 157.4 secs Computing kpt #: 143 total cpu time spent up to now is 158.4 secs Computing kpt #: 144 total cpu time spent up to now is 159.3 secs Computing kpt #: 145 total cpu time spent up to now is 160.2 secs Computing kpt #: 146 total cpu time spent up to now is 161.2 secs Computing kpt #: 147 total cpu time spent up to now is 162.1 secs Computing kpt #: 148 total cpu time spent up to now is 163.1 secs Computing kpt #: 149 total cpu time spent up to now is 164.0 secs Computing kpt #: 150 total cpu time spent up to now is 165.0 secs Computing kpt #: 151 total cpu time spent up to now is 165.9 secs Computing kpt #: 152 total cpu time spent up to now is 166.9 secs Computing kpt #: 153 total cpu time spent up to now is 167.8 secs Computing kpt #: 154 total cpu time spent up to now is 168.7 secs Computing kpt #: 155 total cpu time spent up to now is 169.7 secs Computing kpt #: 156 total cpu time spent up to now is 170.7 secs Computing kpt #: 157 total cpu time spent up to now is 171.6 secs Computing kpt #: 158 total cpu time spent up to now is 172.6 secs Computing kpt #: 159 total cpu time spent up to now is 173.6 secs Computing kpt #: 160 total cpu time spent up to now is 174.7 secs Computing kpt #: 161 total cpu time spent up to now is 175.7 secs Computing kpt #: 162 total cpu time spent up to now is 176.8 secs Computing kpt #: 163 total cpu time spent up to now is 177.8 secs Computing kpt #: 164 total cpu time spent up to now is 178.9 secs Computing kpt #: 165 total cpu time spent up to now is 180.1 secs Computing kpt #: 166 total cpu time spent up to now is 181.3 secs Computing kpt #: 167 total cpu time spent up to now is 183.1 secs Computing kpt #: 168 total cpu time spent up to now is 184.7 secs Computing kpt #: 169 total cpu time spent up to now is 186.2 secs Computing kpt #: 170 total cpu time spent up to now is 187.7 secs Computing kpt #: 171 total cpu time spent up to now is 189.2 secs Computing kpt #: 172 total cpu time spent up to now is 190.6 secs Computing kpt #: 173 total cpu time spent up to now is 192.0 secs Computing kpt #: 174 total cpu time spent up to now is 193.5 secs Computing kpt #: 175 total cpu time spent up to now is 194.8 secs Computing kpt #: 176 total cpu time spent up to now is 196.2 secs Computing kpt #: 177 total cpu time spent up to now is 197.4 secs Computing kpt #: 178 total cpu time spent up to now is 198.5 secs Computing kpt #: 179 total cpu time spent up to now is 199.6 secs Computing kpt #: 180 total cpu time spent up to now is 200.8 secs Computing kpt #: 181 total cpu time spent up to now is 201.9 secs Computing kpt #: 182 total cpu time spent up to now is 203.0 secs Computing kpt #: 183 total cpu time spent up to now is 204.1 secs Computing kpt #: 184 total cpu time spent up to now is 205.2 secs Computing kpt #: 185 total cpu time spent up to now is 206.4 secs Computing kpt #: 186 total cpu time spent up to now is 207.5 secs Computing kpt #: 187 total cpu time spent up to now is 208.5 secs Computing kpt #: 188 total cpu time spent up to now is 209.6 secs Computing kpt #: 189 total cpu time spent up to now is 210.6 secs Computing kpt #: 190 total cpu time spent up to now is 211.7 secs Computing kpt #: 191 total cpu time spent up to now is 212.8 secs Computing kpt #: 192 total cpu time spent up to now is 213.8 secs Computing kpt #: 193 total cpu time spent up to now is 214.8 secs Computing kpt #: 194 total cpu time spent up to now is 215.9 secs Computing kpt #: 195 total cpu time spent up to now is 217.0 secs Computing kpt #: 196 total cpu time spent up to now is 218.0 secs Computing kpt #: 197 total cpu time spent up to now is 219.0 secs Computing kpt #: 198 total cpu time spent up to now is 219.9 secs Computing kpt #: 199 total cpu time spent up to now is 220.9 secs Computing kpt #: 200 total cpu time spent up to now is 221.9 secs Computing kpt #: 201 total cpu time spent up to now is 222.9 secs Computing kpt #: 202 total cpu time spent up to now is 223.8 secs Computing kpt #: 203 total cpu time spent up to now is 224.8 secs Computing kpt #: 204 total cpu time spent up to now is 225.8 secs Computing kpt #: 205 total cpu time spent up to now is 226.8 secs Computing kpt #: 206 total cpu time spent up to now is 227.8 secs Computing kpt #: 207 total cpu time spent up to now is 228.8 secs Computing kpt #: 208 total cpu time spent up to now is 229.9 secs Computing kpt #: 209 total cpu time spent up to now is 230.9 secs Computing kpt #: 210 total cpu time spent up to now is 232.0 secs Computing kpt #: 211 total cpu time spent up to now is 233.0 secs Computing kpt #: 212 total cpu time spent up to now is 234.0 secs Computing kpt #: 213 total cpu time spent up to now is 235.1 secs Computing kpt #: 214 total cpu time spent up to now is 236.1 secs Computing kpt #: 215 total cpu time spent up to now is 237.1 secs Computing kpt #: 216 total cpu time spent up to now is 238.1 secs Computing kpt #: 217 total cpu time spent up to now is 239.1 secs Computing kpt #: 218 total cpu time spent up to now is 240.1 secs Computing kpt #: 219 total cpu time spent up to now is 241.1 secs Computing kpt #: 220 total cpu time spent up to now is 242.0 secs Computing kpt #: 221 total cpu time spent up to now is 242.9 secs Computing kpt #: 222 total cpu time spent up to now is 243.7 secs Computing kpt #: 223 total cpu time spent up to now is 244.5 secs Computing kpt #: 224 total cpu time spent up to now is 245.3 secs Computing kpt #: 225 total cpu time spent up to now is 246.4 secs Computing kpt #: 226 total cpu time spent up to now is 247.8 secs Computing kpt #: 227 total cpu time spent up to now is 248.9 secs Computing kpt #: 228 total cpu time spent up to now is 250.1 secs Computing kpt #: 229 total cpu time spent up to now is 251.3 secs Computing kpt #: 230 total cpu time spent up to now is 252.5 secs Computing kpt #: 231 total cpu time spent up to now is 253.7 secs Computing kpt #: 232 total cpu time spent up to now is 255.0 secs Computing kpt #: 233 total cpu time spent up to now is 256.2 secs Computing kpt #: 234 total cpu time spent up to now is 257.4 secs Computing kpt #: 235 total cpu time spent up to now is 258.5 secs Computing kpt #: 236 total cpu time spent up to now is 259.6 secs Computing kpt #: 237 total cpu time spent up to now is 260.7 secs Computing kpt #: 238 total cpu time spent up to now is 261.8 secs Computing kpt #: 239 total cpu time spent up to now is 262.9 secs Computing kpt #: 240 total cpu time spent up to now is 264.0 secs Computing kpt #: 241 total cpu time spent up to now is 265.1 secs Computing kpt #: 242 total cpu time spent up to now is 266.1 secs Computing kpt #: 243 total cpu time spent up to now is 267.2 secs Computing kpt #: 244 total cpu time spent up to now is 268.2 secs Computing kpt #: 245 total cpu time spent up to now is 269.2 secs Computing kpt #: 246 total cpu time spent up to now is 270.2 secs Computing kpt #: 247 total cpu time spent up to now is 271.2 secs Computing kpt #: 248 total cpu time spent up to now is 272.3 secs Computing kpt #: 249 total cpu time spent up to now is 273.2 secs Computing kpt #: 250 total cpu time spent up to now is 274.2 secs Computing kpt #: 251 total cpu time spent up to now is 275.1 secs Computing kpt #: 252 total cpu time spent up to now is 276.0 secs ethr = 1.72E-08, avg # of iterations = 27.3 total cpu time spent up to now is 276.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3511 PWs) bands (ev): 1.9519 1.9519 2.7427 2.7427 2.7427 2.7427 2.8227 2.8227 3.0462 3.0462 3.0462 3.0462 3.0462 3.0462 3.1107 3.1107 3.1107 3.1107 4.4851 4.4851 4.4851 4.4851 4.8743 4.8743 5.0402 5.0402 5.0402 5.0402 5.0794 5.0794 5.2454 5.2454 5.2454 5.2454 6.0052 6.0052 6.2227 6.2227 6.2227 6.2227 6.2583 6.2583 9.6078 9.6078 9.7823 9.7823 9.7823 9.7823 10.2480 10.2480 10.2480 10.2480 10.9340 10.9340 10.9340 10.9340 11.7506 11.7506 12.0131 12.0131 12.8227 12.8227 12.8227 12.8227 12.9718 12.9718 13.0086 13.0086 13.0086 13.0086 k = 0.0094-0.0067 0.0116 ( 3511 PWs) bands (ev): 1.9533 1.9533 2.7429 2.7429 2.7434 2.7434 2.8230 2.8230 3.0463 3.0463 3.0467 3.0467 3.0472 3.0472 3.1106 3.1106 3.1112 3.1112 4.4850 4.4850 4.4853 4.4853 4.8744 4.8744 5.0401 5.0401 5.0402 5.0402 5.0791 5.0791 5.2450 5.2450 5.2454 5.2454 6.0048 6.0048 6.2209 6.2209 6.2219 6.2219 6.2571 6.2571 9.6052 9.6052 9.7788 9.7788 9.7810 9.7810 10.2472 10.2472 10.2474 10.2474 10.9297 10.9297 10.9298 10.9298 11.7383 11.7383 12.0097 12.0097 12.8083 12.8083 12.8130 12.8130 12.9224 12.9224 13.0471 13.0471 13.0833 13.0833 k = 0.0189-0.0133 0.0231 ( 3511 PWs) bands (ev): 1.9575 1.9575 2.7435 2.7435 2.7456 2.7456 2.8239 2.8239 3.0468 3.0468 3.0482 3.0482 3.0502 3.0502 3.1104 3.1104 3.1130 3.1130 4.4849 4.4849 4.4861 4.4861 4.8745 4.8745 5.0395 5.0395 5.0400 5.0400 5.0784 5.0784 5.2438 5.2438 5.2452 5.2452 6.0036 6.0036 6.2152 6.2152 6.2191 6.2191 6.2536 6.2536 9.5973 9.5973 9.7684 9.7684 9.7773 9.7773 10.2448 10.2448 10.2454 10.2454 10.9167 10.9167 10.9169 10.9169 11.7034 11.7034 12.0010 12.0010 12.7806 12.7806 12.7866 12.7866 12.8902 12.8902 13.1390 13.1390 13.1931 13.1931 k = 0.0283-0.0200 0.0347 ( 3503 PWs) bands (ev): 1.9644 1.9644 2.7446 2.7446 2.7492 2.7492 2.8254 2.8254 3.0475 3.0475 3.0508 3.0508 3.0551 3.0551 3.1101 3.1101 3.1159 3.1159 4.4848 4.4848 4.4873 4.4873 4.8747 4.8747 5.0383 5.0383 5.0397 5.0397 5.0773 5.0773 5.2418 5.2418 5.2449 5.2449 6.0016 6.0016 6.2059 6.2059 6.2136 6.2136 6.2488 6.2488 9.5836 9.5836 9.7512 9.7512 9.7719 9.7719 10.2408 10.2408 10.2423 10.2423 10.8954 10.8954 10.8957 10.8957 11.6508 11.6508 11.9903 11.9903 12.7345 12.7345 12.7756 12.7756 12.8799 12.8799 13.2611 13.2611 13.3210 13.3210 k = 0.0377-0.0267 0.0462 ( 3503 PWs) bands (ev): 1.9740 1.9740 2.7461 2.7461 2.7542 2.7542 2.8275 2.8275 3.0485 3.0485 3.0543 3.0543 3.0620 3.0620 3.1097 3.1097 3.1199 3.1199 4.4846 4.4846 4.4891 4.4891 4.8751 4.8751 5.0363 5.0363 5.0393 5.0393 5.0762 5.0762 5.2391 5.2391 5.2445 5.2445 5.9987 5.9987 6.1928 6.1928 6.2041 6.2041 6.2440 6.2440 9.5637 9.5637 9.7274 9.7274 9.7655 9.7655 10.2350 10.2350 10.2378 10.2378 10.8664 10.8664 10.8667 10.8667 11.5861 11.5861 11.9813 11.9813 12.6864 12.6864 12.7782 12.7782 12.8780 12.8780 13.4041 13.4041 13.4645 13.4645 k = 0.0472-0.0334 0.0578 ( 3503 PWs) bands (ev): 1.9862 1.9862 2.7480 2.7480 2.7606 2.7606 2.8300 2.8300 3.0497 3.0497 3.0589 3.0589 3.0709 3.0709 3.1093 3.1093 3.1251 3.1251 4.4843 4.4843 4.4915 4.4915 4.8756 4.8756 5.0330 5.0330 5.0388 5.0388 5.0753 5.0753 5.2356 5.2356 5.2440 5.2440 5.9951 5.9951 6.1761 6.1761 6.1899 6.1899 6.2398 6.2398 9.5372 9.5372 9.6973 9.6973 9.7588 9.7588 10.2275 10.2275 10.2320 10.2320 10.8298 10.8298 10.8314 10.8314 11.5143 11.5143 11.9773 11.9773 12.6389 12.6389 12.7932 12.7932 12.8793 12.8793 13.5632 13.5632 13.6217 13.6217 k = 0.0566-0.0400 0.0693 ( 3511 PWs) bands (ev): 2.0009 2.0009 2.7502 2.7502 2.7684 2.7684 2.8329 2.8329 3.0512 3.0512 3.0644 3.0644 3.0818 3.0818 3.1088 3.1088 3.1314 3.1314 4.4839 4.4839 4.4945 4.4945 4.8763 4.8763 5.0283 5.0283 5.0383 5.0383 5.0750 5.0750 5.2315 5.2315 5.2433 5.2433 5.9907 5.9907 6.1557 6.1557 6.1710 6.1710 6.2366 6.2366 9.5041 9.5041 9.6613 9.6613 9.7525 9.7525 10.2181 10.2181 10.2249 10.2249 10.7872 10.7872 10.7907 10.7907 11.4390 11.4390 11.9805 11.9805 12.5921 12.5921 12.8190 12.8190 12.8823 12.8823 13.7353 13.7353 13.7909 13.7909 k = 0.0660-0.0467 0.0809 ( 3511 PWs) bands (ev): 2.0181 2.0181 2.7529 2.7529 2.7775 2.7775 2.8361 2.8361 3.0530 3.0530 3.0710 3.0710 3.0944 3.0944 3.1088 3.1088 3.1386 3.1386 4.4834 4.4834 4.4981 4.4981 4.8772 4.8772 5.0220 5.0220 5.0378 5.0378 5.0753 5.0753 5.2268 5.2268 5.2425 5.2425 5.9854 5.9854 6.1320 6.1320 6.1479 6.1479 6.2338 6.2338 9.4649 9.4649 9.6199 9.6199 9.7467 9.7467 10.2067 10.2067 10.2164 10.2164 10.7399 10.7399 10.7458 10.7458 11.3626 11.3626 11.9913 11.9913 12.5454 12.5454 12.8541 12.8541 12.8864 12.8864 13.9182 13.9182 13.9706 13.9706 k = 0.0755-0.0534 0.0924 ( 3512 PWs) bands (ev): 2.0376 2.0376 2.7558 2.7558 2.7879 2.7879 2.8395 2.8395 3.0550 3.0550 3.0784 3.0784 3.1040 3.1040 3.1139 3.1139 3.1469 3.1469 4.4827 4.4827 4.5025 4.5025 4.8784 4.8784 5.0141 5.0141 5.0374 5.0374 5.0762 5.0762 5.2215 5.2215 5.2415 5.2415 5.9794 5.9794 6.1049 6.1049 6.1208 6.1208 6.2314 6.2314 9.4202 9.4202 9.5738 9.5738 9.7415 9.7415 10.1929 10.1929 10.2065 10.2065 10.6895 10.6895 10.6982 10.6982 11.2864 11.2864 12.0093 12.0093 12.4992 12.4992 12.8915 12.8915 12.8973 12.8973 14.1102 14.1102 14.1595 14.1595 k = 0.0849-0.0600 0.1040 ( 3512 PWs) bands (ev): 2.0592 2.0592 2.7591 2.7591 2.7996 2.7996 2.8430 2.8430 3.0571 3.0571 3.0868 3.0868 3.1048 3.1048 3.1299 3.1299 3.1559 3.1559 4.4819 4.4819 4.5077 4.5077 4.8798 4.8798 5.0049 5.0049 5.0372 5.0372 5.0775 5.0775 5.2158 5.2158 5.2404 5.2404 5.9723 5.9723 6.0748 6.0748 6.0903 6.0903 6.2291 6.2291 9.3710 9.3710 9.5237 9.5237 9.7369 9.7369 10.1768 10.1768 10.1951 10.1951 10.6375 10.6375 10.6490 10.6490 11.2112 11.2112 12.0326 12.0326 12.4544 12.4544 12.8974 12.8974 12.9476 12.9476 14.3101 14.3101 14.3566 14.3566 k = 0.0943-0.0667 0.1155 ( 3496 PWs) bands (ev): 2.0829 2.0829 2.7626 2.7626 2.8125 2.8125 2.8465 2.8465 3.0594 3.0594 3.0960 3.0960 3.1042 3.1042 3.1498 3.1498 3.1657 3.1657 4.4809 4.4809 4.5138 4.5138 4.8815 4.8815 4.9943 4.9943 5.0371 5.0371 5.0790 5.0790 5.2098 5.2098 5.2391 5.2391 5.9637 5.9637 6.0424 6.0424 6.0566 6.0566 6.2269 6.2269 9.3182 9.3182 9.4704 9.4704 9.7327 9.7327 10.1578 10.1578 10.1823 10.1823 10.5850 10.5850 10.5992 10.5992 11.1373 11.1373 12.0578 12.0578 12.4137 12.4137 12.9042 12.9042 13.0043 13.0043 14.5169 14.5169 14.5609 14.5609 k = 0.1038-0.0734 0.1271 ( 3496 PWs) bands (ev): 2.1083 2.1083 2.7664 2.7664 2.8265 2.8265 2.8500 2.8500 3.0618 3.0618 3.1034 3.1034 3.1060 3.1060 3.1725 3.1725 3.1761 3.1761 4.4796 4.4796 4.5210 4.5210 4.8835 4.8835 4.9826 4.9826 5.0373 5.0373 5.0805 5.0805 5.2036 5.2036 5.2375 5.2375 5.9524 5.9524 6.0093 6.0093 6.0202 6.0202 6.2248 6.2248 9.2628 9.2628 9.4148 9.4148 9.7287 9.7287 10.1359 10.1359 10.1679 10.1679 10.5329 10.5329 10.5497 10.5497 11.0650 11.0650 12.0789 12.0789 12.3825 12.3825 12.9120 12.9120 13.0670 13.0670 14.7299 14.7299 14.7717 14.7717 k = 0.1132-0.0800 0.1387 ( 3500 PWs) bands (ev): 2.1353 2.1353 2.7704 2.7704 2.8415 2.8415 2.8535 2.8535 3.0643 3.0643 3.1026 3.1026 3.1168 3.1168 3.1868 3.1868 3.1977 3.1977 4.4781 4.4781 4.5293 4.5293 4.8857 4.8857 4.9700 4.9700 5.0380 5.0380 5.0818 5.0818 5.1972 5.1972 5.2357 5.2357 5.9340 5.9340 5.9801 5.9801 5.9813 5.9813 6.2227 6.2227 9.2058 9.2058 9.3575 9.3575 9.7248 9.7248 10.1104 10.1104 10.1519 10.1519 10.4818 10.4818 10.5010 10.5010 10.9947 10.9947 12.0862 12.0862 12.3698 12.3698 12.9207 12.9207 13.1350 13.1350 14.9484 14.9484 14.9884 14.9884 k = 0.1226-0.0867 0.1502 ( 3508 PWs) bands (ev): 2.1636 2.1636 2.7746 2.7746 2.8567 2.8567 2.8575 2.8575 3.0666 3.0666 3.1020 3.1020 3.1282 3.1282 3.1977 3.1977 3.2257 3.2257 4.4762 4.4762 4.5389 4.5389 4.8881 4.8881 4.9565 4.9565 5.0390 5.0390 5.0826 5.0826 5.1908 5.1908 5.2336 5.2336 5.9031 5.9031 5.9406 5.9406 5.9606 5.9606 6.2207 6.2207 9.1480 9.1480 9.2995 9.2995 9.7210 9.7210 10.0811 10.0811 10.1341 10.1341 10.4321 10.4321 10.4535 10.4535 10.9265 10.9265 12.0721 12.0721 12.3829 12.3829 12.9307 12.9307 13.2079 13.2079 15.1717 15.1717 15.2103 15.2103 k = 0.1321-0.0934 0.1618 ( 3508 PWs) bands (ev): 2.1931 2.1931 2.7790 2.7790 2.8598 2.8598 2.8743 2.8743 3.0688 3.0688 3.1017 3.1017 3.1401 3.1401 3.2085 3.2085 3.2565 3.2565 4.4740 4.4740 4.5500 4.5500 4.8907 4.8907 4.9425 4.9425 5.0407 5.0407 5.0827 5.0827 5.1843 5.1843 5.2312 5.2312 5.8631 5.8631 5.8985 5.8985 5.9477 5.9477 6.2188 6.2188 9.0903 9.0903 9.2415 9.2415 9.7172 9.7172 10.0477 10.0477 10.1147 10.1147 10.3840 10.3840 10.4074 10.4074 10.8610 10.8610 12.0383 12.0383 12.4196 12.4196 12.9419 12.9419 13.2854 13.2854 15.3995 15.3995 15.4371 15.4371 k = 0.1415-0.1001 0.1733 ( 3500 PWs) bands (ev): 2.2234 2.2234 2.7836 2.7836 2.8627 2.8627 2.8918 2.8918 3.0705 3.0705 3.1020 3.1020 3.1525 3.1525 3.2190 3.2190 3.2902 3.2902 4.4713 4.4713 4.5627 4.5627 4.8933 4.8933 4.9279 4.9279 5.0430 5.0430 5.0817 5.0817 5.1780 5.1780 5.2283 5.2283 5.8190 5.8190 5.8556 5.8556 5.9372 5.9372 6.2169 6.2169 9.0334 9.0334 9.1842 9.1842 9.7133 9.7133 10.0098 10.0098 10.0933 10.0933 10.3375 10.3375 10.3627 10.3627 10.7985 10.7985 11.9923 11.9923 12.4725 12.4725 12.9547 12.9547 13.3672 13.3672 15.6312 15.6312 15.6683 15.6683 k = 0.1509-0.1067 0.1849 ( 3512 PWs) bands (ev): 2.2543 2.2543 2.7883 2.7883 2.8653 2.8653 2.9100 2.9100 3.0717 3.0717 3.1030 3.1030 3.1651 3.1651 3.2289 3.2289 3.3267 3.3267 4.4681 4.4681 4.5771 4.5771 4.8959 4.8959 4.9131 4.9131 5.0462 5.0462 5.0796 5.0796 5.1716 5.1716 5.2250 5.2250 5.7729 5.7729 5.8129 5.8129 5.9275 5.9275 6.2152 6.2152 8.9776 8.9776 9.1279 9.1279 9.7092 9.7092 9.9672 9.9672 10.0700 10.0700 10.2927 10.2927 10.3192 10.3192 10.7395 10.7395 11.9395 11.9395 12.5355 12.5355 12.9693 12.9693 13.4530 13.4530 15.8662 15.8662 15.9034 15.9034 k = 0.1604-0.1134 0.1964 ( 3508 PWs) bands (ev): 2.2856 2.2856 2.7930 2.7930 2.8677 2.8677 2.9285 2.9285 3.0721 3.0721 3.1049 3.1049 3.1779 3.1779 3.2382 3.2382 3.3662 3.3662 4.4644 4.4644 4.5932 4.5932 4.8983 4.8983 4.8983 4.8983 5.0501 5.0501 5.0759 5.0759 5.1652 5.1652 5.2210 5.2210 5.7260 5.7260 5.7711 5.7711 5.9182 5.9182 6.2136 6.2136 8.9238 8.9238 9.0733 9.0733 9.7048 9.7048 9.9196 9.9196 10.0448 10.0448 10.2495 10.2495 10.2770 10.2770 10.6844 10.6844 11.8832 11.8832 12.6053 12.6053 12.9861 12.9861 13.5424 13.5424 16.1036 16.1036 16.1423 16.1423 k = 0.1698-0.1201 0.2080 ( 3500 PWs) bands (ev): 2.3170 2.3170 2.7978 2.7978 2.8699 2.8699 2.9473 2.9473 3.0717 3.0717 3.1078 3.1078 3.1905 3.1905 3.2465 3.2465 3.4086 3.4086 4.4601 4.4601 4.6109 4.6109 4.8835 4.8835 4.9005 4.9005 5.0551 5.0551 5.0703 5.0703 5.1588 5.1588 5.2161 5.2161 5.6794 5.6794 5.7312 5.7312 5.9091 5.9091 6.2121 6.2121 8.8721 8.8721 9.0206 9.0206 9.7003 9.7003 9.8671 9.8671 10.0175 10.0175 10.2079 10.2079 10.2359 10.2359 10.6334 10.6334 11.8253 11.8253 12.6793 12.6793 13.0058 13.0058 13.6352 13.6352 16.3404 16.3404 16.3845 16.3845 k = 0.1792-0.1267 0.2195 ( 3500 PWs) bands (ev): 2.3483 2.3483 2.8027 2.8027 2.8719 2.8719 2.9661 2.9661 3.0707 3.0707 3.1117 3.1117 3.2028 3.2028 3.2539 3.2539 3.4537 3.4537 4.4551 4.4551 4.6303 4.6303 4.8690 4.8690 4.9022 4.9022 5.0609 5.0609 5.0624 5.0624 5.1524 5.1524 5.2103 5.2103 5.6342 5.6342 5.6942 5.6942 5.9002 5.9002 6.2108 6.2108 8.8228 8.8228 8.9702 8.9702 9.6955 9.6955 9.8097 9.8097 9.9880 9.9880 10.1677 10.1677 10.1958 10.1958 10.5864 10.5864 11.7670 11.7670 12.7556 12.7556 13.0293 13.0293 13.7312 13.7312 16.5329 16.5329 16.6298 16.6298 k = 0.1887-0.1334 0.2311 ( 3492 PWs) bands (ev): 2.3792 2.3792 2.8076 2.8076 2.8736 2.8736 2.9847 2.9847 3.0691 3.0691 3.1167 3.1167 3.2142 3.2142 3.2604 3.2604 3.5014 3.5014 4.4496 4.4496 4.6509 4.6509 4.8549 4.8549 4.9035 4.9035 5.0516 5.0516 5.0678 5.0678 5.1465 5.1465 5.2032 5.2032 5.5915 5.5915 5.6610 5.6610 5.8914 5.8914 6.2096 6.2096 8.7761 8.7761 8.9221 8.9221 9.6904 9.6904 9.7477 9.7477 9.9563 9.9563 10.1288 10.1288 10.1566 10.1566 10.5433 10.5433 11.7089 11.7089 12.8318 12.8318 13.0585 13.0585 13.8302 13.8302 16.3816 16.3816 16.8604 16.8604 k = 0.1981-0.1401 0.2426 ( 3488 PWs) bands (ev): 2.4096 2.4096 2.8124 2.8124 2.8752 2.8752 3.0026 3.0026 3.0671 3.0671 3.1227 3.1227 3.2243 3.2243 3.2663 3.2663 3.5512 3.5512 4.4435 4.4435 4.6724 4.6724 4.8416 4.8416 4.9041 4.9041 5.0372 5.0372 5.0756 5.0756 5.1414 5.1414 5.1946 5.1946 5.5528 5.5528 5.6326 5.6326 5.8828 5.8828 6.2085 6.2085 8.7320 8.7320 8.8765 8.8765 9.6816 9.6816 9.6850 9.6850 9.9225 9.9225 10.0912 10.0912 10.1184 10.1184 10.5039 10.5039 11.6517 11.6517 12.9041 12.9041 13.0968 13.0968 13.9318 13.9318 16.1490 16.1490 17.1029 17.1030 k = 0.2075-0.1468 0.2542 ( 3488 PWs) bands (ev): 2.4392 2.4392 2.8171 2.8171 2.8766 2.8766 3.0195 3.0195 3.0648 3.0648 3.1298 3.1298 3.2322 3.2322 3.2720 3.2720 3.6029 3.6029 4.4370 4.4370 4.6941 4.6941 4.8291 4.8291 4.9041 4.9041 5.0187 5.0187 5.0841 5.0841 5.1382 5.1382 5.1848 5.1848 5.5193 5.5193 5.6095 5.6095 5.8745 5.8745 6.2077 6.2077 8.6907 8.6907 8.8335 8.8335 9.6118 9.6118 9.6792 9.6792 9.8863 9.8863 10.0548 10.0548 10.0811 10.0811 10.4676 10.4676 11.5959 11.5959 12.9677 12.9677 13.1486 13.1486 14.0360 14.0360 15.9108 15.9108 17.3518 17.3518 k = 0.2170-0.1534 0.2657 ( 3496 PWs) bands (ev): 2.4680 2.4680 2.8218 2.8218 2.8779 2.8779 3.0351 3.0351 3.0622 3.0622 3.1381 3.1381 3.2372 3.2372 3.2781 3.2781 3.6556 3.6556 4.4304 4.4304 4.7151 4.7151 4.8176 4.8176 4.9031 4.9031 4.9961 4.9961 5.0926 5.0926 5.1373 5.1373 5.1747 5.1747 5.4921 5.4921 5.5919 5.5919 5.8664 5.8664 6.2070 6.2070 8.6522 8.6522 8.7930 8.7930 9.5389 9.5389 9.6730 9.6730 9.8480 9.8480 10.0195 10.0195 10.0448 10.0448 10.4340 10.4340 11.5416 11.5416 13.0202 13.0202 13.2164 13.2164 14.1425 14.1425 15.6712 15.6712 17.6023 17.6023 k = 0.2264-0.1601 0.2773 ( 3496 PWs) bands (ev): 2.4958 2.4958 2.8262 2.8262 2.8791 2.8791 3.0486 3.0486 3.0598 3.0598 3.1478 3.1478 3.2390 3.2390 3.2848 3.2848 3.7087 3.7087 4.4240 4.4240 4.7343 4.7343 4.8072 4.8072 4.9011 4.9011 4.9698 4.9698 5.0993 5.0993 5.1396 5.1396 5.1672 5.1672 5.4719 5.4719 5.5797 5.5797 5.8586 5.8586 6.2064 6.2064 8.6164 8.6164 8.7551 8.7551 9.4635 9.4635 9.6664 9.6664 9.8075 9.8075 9.9852 9.9852 10.0095 10.0095 10.4028 10.4028 11.4894 11.4894 13.0639 13.0639 13.2973 13.2973 14.2511 14.2511 15.4316 15.4316 17.8516 17.8516 k = 0.2358-0.1668 0.2889 ( 3480 PWs) bands (ev): 2.5224 2.5224 2.8305 2.8305 2.8802 2.8802 3.0549 3.0549 3.0626 3.0626 3.1586 3.1586 3.2377 3.2377 3.2916 3.2916 3.7608 3.7608 4.4184 4.4184 4.7501 4.7501 4.7979 4.7979 4.8981 4.8981 4.9408 4.9408 5.1005 5.1005 5.1455 5.1455 5.1676 5.1676 5.4590 5.4590 5.5724 5.5724 5.8512 5.8512 6.2060 6.2060 8.5832 8.5832 8.7196 8.7196 9.3862 9.3862 9.6595 9.6595 9.7650 9.7650 9.9521 9.9521 9.9753 9.9753 10.3733 10.3733 11.4392 11.4392 13.1033 13.1033 13.3871 13.3871 14.3616 14.3616 15.1924 15.1924 18.0910 18.0910 k = 0.2453-0.1734 0.3004 ( 3492 PWs) bands (ev): 2.5479 2.5479 2.8344 2.8344 2.8814 2.8814 3.0524 3.0524 3.0720 3.0720 3.1703 3.1703 3.2339 3.2339 3.2979 3.2979 3.8107 3.8107 4.4144 4.4144 4.7611 4.7611 4.7898 4.7898 4.8945 4.8945 4.9102 4.9102 5.0947 5.0947 5.1556 5.1556 5.1791 5.1791 5.4528 5.4528 5.5696 5.5696 5.8442 5.8442 6.2057 6.2057 8.5525 8.5525 8.6864 8.6864 9.3073 9.3073 9.6519 9.6519 9.7206 9.7206 9.9197 9.9197 9.9420 9.9420 10.3451 10.3451 11.3914 11.3914 13.1415 13.1415 13.4824 13.4824 14.4736 14.4736 14.9542 14.9542 18.2796 18.2796 k = 0.2547-0.1801 0.3120 ( 3492 PWs) bands (ev): 2.5721 2.5721 2.8380 2.8380 2.8826 2.8826 3.0493 3.0493 3.0804 3.0804 3.1824 3.1824 3.2278 3.2278 3.3033 3.3033 3.8568 3.8568 4.4130 4.4130 4.7658 4.7658 4.7828 4.7828 4.8791 4.8791 4.8910 4.8910 5.0857 5.0857 5.1707 5.1707 5.1995 5.1995 5.4528 5.4528 5.5706 5.5706 5.8376 5.8376 6.2056 6.2056 8.5243 8.5243 8.6556 8.6556 9.2275 9.2275 9.6431 9.6431 9.6751 9.6751 9.8884 9.8884 9.9098 9.9098 10.3179 10.3179 11.3460 11.3460 13.1802 13.1802 13.5813 13.5813 14.5862 14.5862 14.7185 14.7185 18.3732 18.3732 k = 0.2642-0.1868 0.3235 ( 3492 PWs) bands (ev): 2.5951 2.5951 2.8411 2.8411 2.8839 2.8839 3.0459 3.0459 3.0874 3.0874 3.1944 3.1944 3.2200 3.2200 3.3073 3.3073 3.8972 3.8972 4.4151 4.4151 4.7633 4.7633 4.7765 4.7765 4.8489 4.8489 4.8887 4.8887 5.0767 5.0767 5.1915 5.1915 5.2262 5.2262 5.4584 5.4584 5.5749 5.5749 5.8313 5.8313 6.2057 6.2057 8.4985 8.4985 8.6269 8.6269 9.1472 9.1472 9.6208 9.6208 9.6411 9.6411 9.8581 9.8581 9.8786 9.8786 10.2915 10.2915 11.3030 11.3030 13.2207 13.2207 13.6827 13.6827 14.4805 14.4805 14.7039 14.7039 18.4313 18.4313 k = 0.2736-0.1935 0.3351 ( 3480 PWs) bands (ev): 2.6168 2.6168 2.8436 2.8436 2.8855 2.8855 3.0424 3.0424 3.0932 3.0932 3.2056 3.2056 3.2106 3.2106 3.3096 3.3096 3.9307 3.9307 4.4214 4.4214 4.7543 4.7543 4.7700 4.7700 4.8214 4.8214 4.8880 4.8880 5.0686 5.0686 5.2189 5.2189 5.2575 5.2575 5.4689 5.4689 5.5821 5.5821 5.8255 5.8255 6.2058 6.2058 8.4748 8.4748 8.6003 8.6003 9.0667 9.0667 9.5736 9.5736 9.6301 9.6301 9.8288 9.8288 9.8485 9.8485 10.2653 10.2653 11.2626 11.2626 13.2633 13.2633 13.7860 13.7860 14.2478 14.2478 14.8195 14.8195 18.4815 18.4815 k = 0.2830-0.2001 0.3466 ( 3492 PWs) bands (ev): 2.6371 2.6371 2.8456 2.8456 2.8874 2.8874 3.0388 3.0388 3.0981 3.0981 3.1999 3.1999 3.2155 3.2155 3.3100 3.3100 3.9562 3.9562 4.4321 4.4321 4.7406 4.7406 4.7604 4.7604 4.7998 4.7998 4.8887 4.8887 5.0617 5.0617 5.2537 5.2537 5.2919 5.2919 5.4843 5.4843 5.5919 5.5919 5.8202 5.8202 6.2061 6.2061 8.4532 8.4532 8.5756 8.5756 8.9864 8.9864 9.5229 9.5229 9.6209 9.6209 9.8003 9.8003 9.8194 9.8194 10.2391 10.2391 11.2246 11.2246 13.3087 13.3087 13.8906 13.8906 14.0170 14.0170 14.9364 14.9364 18.5293 18.5293 k = 0.2925-0.2068 0.3582 ( 3496 PWs) bands (ev): 2.6562 2.6562 2.8469 2.8469 2.8895 2.8895 3.0352 3.0352 3.1022 3.1022 3.1880 3.1880 3.2235 3.2235 3.3085 3.3085 3.9738 3.9738 4.4465 4.4465 4.7244 4.7244 4.7443 4.7443 4.7883 4.7883 4.8903 4.8903 5.0555 5.0555 5.2964 5.2964 5.3280 5.3280 5.5044 5.5044 5.6042 5.6042 5.8153 5.8153 6.2065 6.2065 8.4335 8.4335 8.5528 8.5528 8.9067 8.9067 9.4710 9.4710 9.6116 9.6116 9.7728 9.7728 9.7913 9.7913 10.2127 10.2127 11.1891 11.1891 13.3571 13.3571 13.7888 13.7888 13.9960 13.9960 15.0540 15.0540 18.5763 18.5763 k = 0.3019-0.2135 0.3697 ( 3496 PWs) bands (ev): 2.6739 2.6739 2.8475 2.8475 2.8919 2.8919 3.0315 3.0315 3.1057 3.1057 3.1751 3.1751 3.2294 3.2294 3.3050 3.3050 3.9846 3.9846 4.4630 4.4630 4.7073 4.7073 4.7241 4.7241 4.7846 4.7846 4.8924 4.8924 5.0499 5.0499 5.3471 5.3471 5.3641 5.3641 5.5296 5.5296 5.6194 5.6194 5.8109 5.8109 6.2071 6.2071 8.4157 8.4157 8.5317 8.5317 8.8279 8.8279 9.4181 9.4181 9.6021 9.6021 9.7463 9.7463 9.7642 9.7642 10.1857 10.1857 11.1559 11.1559 13.4087 13.4087 13.5637 13.5637 14.1018 14.1018 15.1720 15.1720 18.6233 18.6233 k = 0.3113-0.2201 0.3813 ( 3496 PWs) bands (ev): 2.6904 2.6904 2.8475 2.8475 2.8945 2.8945 3.0277 3.0277 3.1087 3.1087 3.1614 3.1614 3.2329 3.2329 3.2996 3.2996 3.9902 3.9902 4.4800 4.4800 4.6907 4.6907 4.7041 4.7041 4.7849 4.7849 4.8948 4.8948 5.0446 5.0446 5.3987 5.3987 5.4048 5.4048 5.5600 5.5600 5.6384 5.6384 5.8069 5.8069 6.2077 6.2077 8.3996 8.3996 8.5121 8.5121 8.7503 8.7503 9.3648 9.3648 9.5924 9.5924 9.7209 9.7209 9.7382 9.7382 10.1578 10.1578 11.1251 11.1251 13.3421 13.3421 13.4639 13.4639 14.2078 14.2078 15.2902 15.2902 18.6705 18.6705 k = 0.3208-0.2268 0.3928 ( 3488 PWs) bands (ev): 2.7055 2.7055 2.8470 2.8470 2.8973 2.8973 3.0238 3.0238 3.1112 3.1112 3.1471 3.1471 3.2337 3.2337 3.2924 3.2924 3.9922 3.9922 4.4958 4.4958 4.6755 4.6755 4.6860 4.6860 4.7875 4.7875 4.8974 4.8974 5.0394 5.0394 5.4309 5.4309 5.4666 5.4666 5.5957 5.5957 5.6639 5.6639 5.8034 5.8034 6.2085 6.2085 8.3851 8.3851 8.4941 8.4941 8.6744 8.6744 9.3112 9.3112 9.5824 9.5824 9.6965 9.6965 9.7134 9.7134 10.1286 10.1286 11.0965 11.0965 13.1244 13.1244 13.5227 13.5227 14.3136 14.3136 15.4082 15.4082 18.7181 18.7181 k = 0.3302-0.2335 0.4044 ( 3480 PWs) bands (ev): 2.7193 2.7193 2.8459 2.8459 2.9002 2.9002 3.0199 3.0199 3.1132 3.1132 3.1322 3.1322 3.2318 3.2318 3.2836 3.2836 3.9921 3.9921 4.5093 4.5093 4.6622 4.6622 4.6704 4.6704 4.7919 4.7919 4.9002 4.9002 5.0343 5.0343 5.4603 5.4603 5.5265 5.5265 5.6358 5.6358 5.7014 5.7014 5.8005 5.8005 6.2094 6.2094 8.3722 8.3722 8.4772 8.4772 8.6006 8.6006 9.2578 9.2578 9.5722 9.5722 9.6731 9.6731 9.6896 9.6896 10.0978 10.0978 11.0700 11.0700 12.9113 12.9113 13.5853 13.5853 14.4188 14.4188 15.5258 15.5258 18.7663 18.7663 k = 0.3396-0.2401 0.4160 ( 3480 PWs) bands (ev): 2.7319 2.7319 2.8443 2.8443 2.9031 2.9031 3.0160 3.0160 3.1149 3.1149 3.1169 3.1169 3.2275 3.2275 3.2736 3.2736 3.9911 3.9911 4.5197 4.5197 4.6509 4.6509 4.6575 4.6575 4.7978 4.7978 4.9032 4.9032 5.0292 5.0292 5.4871 5.4871 5.5758 5.5758 5.6790 5.6790 5.7584 5.7584 5.7984 5.7984 6.2105 6.2105 8.3606 8.3606 8.4606 8.4606 8.5299 8.5299 9.2048 9.2048 9.5618 9.5618 9.6509 9.6509 9.6668 9.6668 10.0646 10.0646 11.0456 11.0456 12.7034 12.7034 13.6518 13.6518 14.5230 14.5230 15.6425 15.6425 18.8150 18.8150 k = 0.3491-0.2468 0.4275 ( 3488 PWs) bands (ev): 2.7431 2.7431 2.8423 2.8423 2.9060 2.9060 3.0120 3.0120 3.1014 3.1014 3.1162 3.1162 3.2209 3.2209 3.2625 3.2625 3.9900 3.9900 4.5269 4.5269 4.6417 4.6417 4.6475 4.6475 4.8050 4.8050 4.9063 4.9063 5.0244 5.0244 5.5117 5.5117 5.6114 5.6114 5.7235 5.7235 5.7975 5.7975 5.8370 5.8370 6.2120 6.2120 8.3502 8.3502 8.4383 8.4383 8.4688 8.4688 9.1524 9.1524 9.5512 9.5512 9.6299 9.6299 9.6451 9.6451 10.0284 10.0284 11.0230 11.0230 12.5015 12.5015 13.7223 13.7223 14.6258 14.6258 15.7580 15.7580 18.8642 18.8642 k = 0.3585-0.2535 0.4391 ( 3480 PWs) bands (ev): 2.7532 2.7532 2.8399 2.8399 2.9088 2.9088 3.0079 3.0079 3.0859 3.0859 3.1170 3.1170 3.2125 3.2125 3.2508 3.2508 3.9892 3.9892 4.5310 4.5310 4.6345 4.6345 4.6402 4.6402 4.8133 4.8133 4.9096 4.9096 5.0197 5.0197 5.5347 5.5347 5.6373 5.6373 5.7641 5.7641 5.8021 5.8021 5.9318 5.9318 6.2140 6.2140 8.3411 8.3411 8.3856 8.3856 8.4421 8.4421 9.1012 9.1012 9.5405 9.5405 9.6101 9.6101 9.6247 9.6247 9.9886 9.9886 11.0023 11.0023 12.3065 12.3065 13.7968 13.7968 14.7269 14.7269 15.8719 15.8719 18.9139 18.9139 k = 0.3679-0.2602 0.4506 ( 3492 PWs) bands (ev): 2.7619 2.7619 2.8371 2.8371 2.9115 2.9115 3.0037 3.0037 3.0704 3.0704 3.1175 3.1175 3.2028 3.2028 3.2387 3.2387 3.9890 3.9890 4.5326 4.5326 4.6292 4.6292 4.6352 4.6352 4.8225 4.8225 4.9131 4.9131 5.0154 5.0154 5.5563 5.5563 5.6580 5.6580 5.7821 5.7821 5.8297 5.8297 6.0361 6.0361 6.2176 6.2176 8.3241 8.3241 8.3331 8.3331 8.4287 8.4287 9.0513 9.0513 9.5295 9.5295 9.5917 9.5917 9.6053 9.6053 9.9441 9.9441 10.9832 10.9832 12.1196 12.1196 13.8753 13.8753 14.8257 14.8257 15.9837 15.9837 18.9637 18.9637 k = 0.3774-0.2668 0.4622 ( 3492 PWs) bands (ev): 2.7695 2.7695 2.8340 2.8340 2.9139 2.9139 2.9995 2.9995 3.0552 3.0552 3.1175 3.1175 3.1923 3.1923 3.2265 3.2265 3.9895 3.9895 4.5324 4.5324 4.6254 4.6254 4.6320 4.6320 4.8324 4.8324 4.9166 4.9166 5.0114 5.0114 5.5765 5.5765 5.6758 5.6758 5.7845 5.7845 5.8726 5.8726 6.1397 6.1397 6.2297 6.2297 8.2650 8.2650 8.3262 8.3262 8.4178 8.4178 9.0031 9.0031 9.5186 9.5186 9.5746 9.5746 9.5871 9.5871 9.8941 9.8941 10.9659 10.9659 11.9418 11.9418 13.9577 13.9577 14.9218 14.9218 16.0929 16.0929 19.0045 19.0045 k = 0.3868-0.2735 0.4737 ( 3496 PWs) bands (ev): 2.7760 2.7760 2.8306 2.8306 2.9162 2.9162 2.9952 2.9952 3.0406 3.0406 3.1170 3.1170 3.1816 3.1816 3.2146 3.2146 3.9905 3.9905 4.5311 4.5311 4.6229 4.6229 4.6300 4.6300 4.8428 4.8428 4.9200 4.9200 5.0080 5.0080 5.5955 5.5955 5.6918 5.6918 5.7847 5.7847 5.9168 5.9168 6.1952 6.1952 6.2953 6.2953 8.2101 8.2101 8.3201 8.3201 8.4082 8.4082 8.9569 8.9569 9.5077 9.5077 9.5589 9.5589 9.5700 9.5700 9.8374 9.8374 10.9502 10.9502 11.7747 11.7747 14.0438 14.0438 15.0147 15.0147 16.1989 16.1989 18.7701 18.7701 k = 0.3962-0.2802 0.4853 ( 3488 PWs) bands (ev): 2.7812 2.7812 2.8269 2.8269 2.9181 2.9181 2.9908 2.9908 3.0266 3.0266 3.1158 3.1158 3.1715 3.1715 3.2031 3.2031 3.9919 3.9919 4.5292 4.5292 4.6215 4.6215 4.6287 4.6287 4.8536 4.8536 4.9232 4.9232 5.0052 5.0052 5.6133 5.6133 5.7065 5.7065 5.7845 5.7845 5.9598 5.9598 6.2052 6.2052 6.4100 6.4100 8.1601 8.1601 8.3150 8.3150 8.3997 8.3997 8.9130 8.9130 9.4970 9.4970 9.5448 9.5448 9.5540 9.5540 9.7728 9.7728 10.9359 10.9359 11.6197 11.6197 14.1333 14.1333 15.1039 15.1039 16.3010 16.3010 18.5423 18.5423 k = 0.4057-0.2868 0.4968 ( 3488 PWs) bands (ev): 2.7854 2.7854 2.8229 2.8229 2.9198 2.9198 2.9864 2.9864 3.0136 3.0136 3.1137 3.1137 3.1624 3.1624 3.1923 3.1923 3.9937 3.9937 4.5271 4.5271 4.6209 4.6209 4.6280 4.6280 4.8645 4.8645 4.9261 4.9261 5.0032 5.0032 5.6297 5.6297 5.7201 5.7201 5.7844 5.7844 6.0007 6.0007 6.2085 6.2085 6.5334 6.5334 8.1162 8.1162 8.3106 8.3106 8.3922 8.3922 8.8716 8.8716 9.4865 9.4865 9.5320 9.5320 9.5388 9.5388 9.6995 9.6995 10.9231 10.9231 11.4782 11.4782 14.2258 14.2258 15.1888 15.1888 16.3987 16.3987 18.3219 18.3219 k = 0.4151-0.2935 0.5084 ( 3496 PWs) bands (ev): 2.7886 2.7886 2.8188 2.8188 2.9210 2.9210 2.9821 2.9821 3.0018 3.0018 3.1106 3.1106 3.1549 3.1549 3.1823 3.1823 3.9957 3.9957 4.5252 4.5252 4.6209 4.6209 4.6275 4.6275 4.8753 4.8753 4.9286 4.9286 5.0019 5.0019 5.6447 5.6447 5.7326 5.7326 5.7846 5.7846 6.0390 6.0390 6.2103 6.2103 6.6583 6.6583 8.0797 8.0797 8.3070 8.3070 8.3856 8.3856 8.8331 8.8331 9.4764 9.4764 9.5205 9.5205 9.5232 9.5232 9.6178 9.6178 10.9117 10.9117 11.3516 11.3516 14.3205 14.3205 15.2689 15.2689 16.4910 16.4910 18.1100 18.1100 k = 0.4245-0.3002 0.5199 ( 3496 PWs) bands (ev): 2.7909 2.7909 2.8145 2.8145 2.9218 2.9218 2.9779 2.9779 2.9913 2.9913 3.1066 3.1066 3.1493 3.1493 3.1731 3.1731 3.9977 3.9977 4.5234 4.5234 4.6214 4.6214 4.6271 4.6271 4.8857 4.8857 4.9305 4.9305 5.0015 5.0015 5.6583 5.6583 5.7442 5.7442 5.7850 5.7850 6.0742 6.0742 6.2116 6.2116 6.7818 6.7818 8.0522 8.0522 8.3040 8.3040 8.3799 8.3799 8.7977 8.7977 9.4668 9.4668 9.4947 9.4947 9.5105 9.5105 9.5400 9.5400 10.9016 10.9016 11.2405 11.2405 14.4167 14.4167 15.3436 15.3436 16.5772 16.5772 17.9077 17.9077 k = 0.4340-0.3069 0.5315 ( 3496 PWs) bands (ev): 2.7924 2.7924 2.8103 2.8103 2.9221 2.9221 2.9739 2.9739 2.9823 2.9823 3.1020 3.1020 3.1453 3.1453 3.1650 3.1650 3.9996 3.9996 4.5219 4.5219 4.6221 4.6221 4.6269 4.6269 4.8956 4.8956 4.9318 4.9318 5.0018 5.0018 5.6702 5.6702 5.7546 5.7546 5.7856 5.7856 6.1061 6.1061 6.2126 6.2126 6.9007 6.9007 8.0359 8.0359 8.3017 8.3017 8.3751 8.3751 8.7657 8.7657 9.4077 9.4077 9.4580 9.4580 9.5017 9.5017 9.5120 9.5120 10.8927 10.8927 11.1453 11.1453 14.5129 14.5129 15.4122 15.4122 16.6564 16.6564 17.7164 17.7164 k = 0.4434-0.3135 0.5430 ( 3504 PWs) bands (ev): 2.7931 2.7931 2.8063 2.8063 2.9218 2.9218 2.9703 2.9703 2.9750 2.9750 3.0972 3.0972 3.1426 3.1426 3.1579 3.1579 4.0014 4.0014 4.5207 4.5207 4.6229 4.6229 4.6267 4.6267 4.9047 4.9047 4.9327 4.9327 5.0026 5.0026 5.6805 5.6805 5.7639 5.7639 5.7865 5.7865 6.1343 6.1343 6.2133 6.2133 7.0113 7.0113 8.0338 8.0338 8.2998 8.2998 8.3711 8.3711 8.7373 8.7373 9.2967 9.2967 9.4501 9.4501 9.4941 9.4941 9.5003 9.5003 10.8852 10.8852 11.0657 11.0657 14.6074 14.6074 15.4743 15.4743 16.7276 16.7276 17.5381 17.5381 k = 0.4528-0.3202 0.5546 ( 3512 PWs) bands (ev): 2.7934 2.7934 2.8025 2.8025 2.9211 2.9211 2.9670 2.9670 2.9693 2.9693 3.0928 3.0928 3.1408 3.1408 3.1518 3.1518 4.0030 4.0030 4.5198 4.5198 4.6237 4.6237 4.6265 4.6265 4.9129 4.9129 4.9331 4.9331 5.0039 5.0039 5.6891 5.6891 5.7720 5.7720 5.7875 5.7875 6.1586 6.1586 6.2139 6.2139 7.1095 7.1095 8.0489 8.0489 8.2984 8.2984 8.3679 8.3679 8.7128 8.7128 9.1768 9.1768 9.4431 9.4431 9.4876 9.4876 9.4916 9.4916 10.8788 10.8788 11.0009 11.0009 14.6979 14.6979 15.5293 15.5293 16.7900 16.7900 17.3753 17.3753 k = 0.4623-0.3269 0.5662 ( 3516 PWs) bands (ev): 2.7934 2.7934 2.7991 2.7991 2.9201 2.9201 2.9642 2.9642 2.9652 2.9652 3.0890 3.0890 3.1397 3.1397 3.1469 3.1469 4.0044 4.0044 4.5190 4.5190 4.6245 4.6245 4.6264 4.6264 4.9198 4.9198 4.9332 4.9332 5.0053 5.0053 5.6960 5.6960 5.7788 5.7788 5.7886 5.7886 6.1788 6.1788 6.2144 6.2144 7.1910 7.1910 8.0840 8.0840 8.2974 8.2974 8.3659 8.3659 8.6925 8.6925 9.0518 9.0518 9.4374 9.4374 9.4824 9.4824 9.4848 9.4848 10.8736 10.8736 10.9500 10.9500 14.7811 14.7811 15.5765 15.5765 16.8425 16.8425 17.2314 17.2314 k = 0.4717-0.3335 0.5777 ( 3508 PWs) bands (ev): 2.7931 2.7931 2.7963 2.7963 2.9190 2.9190 2.9620 2.9620 2.9623 2.9623 3.0860 3.0860 3.1389 3.1389 3.1430 3.1430 4.0055 4.0055 4.5185 4.5185 4.6252 4.6252 4.6263 4.6263 4.9254 4.9254 4.9331 4.9331 5.0066 5.0066 5.7013 5.7013 5.7842 5.7842 5.7896 5.7896 6.1947 6.1947 6.2148 6.2148 7.2530 7.2530 8.1389 8.1389 8.2967 8.2967 8.3654 8.3654 8.6764 8.6764 8.9257 8.9257 9.4328 9.4328 9.4784 9.4784 9.4797 9.4797 10.8697 10.8697 10.9118 10.9118 14.8532 14.8532 15.6152 15.6152 16.8844 16.8844 17.1106 17.1106 k = 0.4811-0.3402 0.5893 ( 3508 PWs) bands (ev): 2.7928 2.7928 2.7942 2.7942 2.9180 2.9180 2.9604 2.9604 2.9605 2.9605 3.0838 3.0838 3.1384 3.1384 3.1403 3.1403 4.0063 4.0063 4.5182 4.5182 4.6257 4.6257 4.6262 4.6262 4.9295 4.9295 4.9330 4.9330 5.0077 5.0077 5.7050 5.7050 5.7881 5.7881 5.7905 5.7905 6.2061 6.2061 6.2151 6.2151 7.2951 7.2951 8.2075 8.2075 8.2963 8.2963 8.3679 8.3679 8.6648 8.6648 8.8046 8.8046 9.4295 9.4295 9.4755 9.4755 9.4760 9.4760 10.8668 10.8668 10.8853 10.8853 14.9095 14.9095 15.6444 15.6444 16.9149 16.9149 17.0182 17.0182 k = 0.4906-0.3469 0.6008 ( 3484 PWs) bands (ev): 2.7926 2.7926 2.7929 2.7929 2.9173 2.9173 2.9595 2.9595 2.9595 2.9595 3.0824 3.0824 3.1381 3.1381 3.1386 3.1386 4.0067 4.0067 4.5180 4.5180 4.6260 4.6260 4.6261 4.6261 4.9321 4.9321 4.9329 4.9329 5.0084 5.0084 5.7072 5.7072 5.7905 5.7905 5.7911 5.7911 6.2130 6.2130 6.2152 6.2152 7.3189 7.3189 8.2708 8.2708 8.2961 8.2961 8.3780 8.3780 8.6579 8.6579 8.7022 8.7022 9.4276 9.4276 9.4738 9.4738 9.4739 9.4739 10.8653 10.8653 10.8697 10.8697 14.9456 14.9456 15.6627 15.6627 16.9334 16.9334 16.9597 16.9597 k = 0.5000-0.3536 0.6124 ( 3468 PWs) bands (ev): 2.7925 2.7925 2.7925 2.7925 2.9170 2.9170 2.9591 2.9591 2.9591 2.9591 3.0820 3.0820 3.1381 3.1381 3.1381 3.1381 4.0069 4.0069 4.5179 4.5179 4.6261 4.6261 4.6261 4.6261 4.9329 4.9329 4.9329 4.9329 5.0086 5.0086 5.7079 5.7079 5.7913 5.7913 5.7913 5.7913 6.2153 6.2153 6.2153 6.2153 7.3266 7.3266 8.2960 8.2960 8.2960 8.2960 8.3902 8.3902 8.6555 8.6555 8.6555 8.6555 9.4270 9.4270 9.4733 9.4733 9.4733 9.4733 10.8647 10.8647 10.8647 10.8647 14.9581 14.9581 15.6690 15.6690 16.9397 16.9397 16.9397 16.9397 k = 0.5000-0.3536 0.6124 ( 3468 PWs) bands (ev): 2.7925 2.7925 2.7925 2.7925 2.9170 2.9170 2.9591 2.9591 2.9591 2.9591 3.0820 3.0820 3.1381 3.1381 3.1381 3.1381 4.0069 4.0069 4.5179 4.5179 4.6261 4.6261 4.6261 4.6261 4.9329 4.9329 4.9329 4.9329 5.0086 5.0086 5.7079 5.7079 5.7913 5.7913 5.7913 5.7913 6.2153 6.2153 6.2153 6.2153 7.3266 7.3266 8.2960 8.2960 8.2960 8.2960 8.3902 8.3902 8.6555 8.6555 8.6555 8.6555 9.4270 9.4270 9.4733 9.4733 9.4733 9.4733 10.8647 10.8647 10.8647 10.8647 14.9581 14.9581 15.6690 15.6690 16.9397 16.9397 16.9397 16.9397 k = 0.4865-0.3440 0.6124 ( 3492 PWs) bands (ev): 2.7926 2.7926 2.7929 2.7929 2.9173 2.9173 2.9595 2.9595 2.9595 2.9595 3.0824 3.0824 3.1383 3.1383 3.1385 3.1385 4.0067 4.0067 4.5180 4.5180 4.6260 4.6260 4.6261 4.6261 4.9322 4.9322 4.9328 4.9328 5.0084 5.0084 5.7072 5.7072 5.7906 5.7906 5.7909 5.7909 6.2135 6.2135 6.2147 6.2147 7.3189 7.3189 8.2694 8.2694 8.2965 8.2965 8.3762 8.3762 8.6705 8.6705 8.6924 8.6924 9.4276 9.4276 9.4738 9.4738 9.4739 9.4739 10.8664 10.8664 10.8687 10.8687 14.9452 14.9452 15.6627 15.6627 16.9375 16.9375 16.9560 16.9560 k = 0.4730-0.3344 0.6124 ( 3508 PWs) bands (ev): 2.7929 2.7929 2.7942 2.7942 2.9180 2.9180 2.9604 2.9604 2.9605 2.9605 3.0838 3.0838 3.1389 3.1389 3.1398 3.1398 4.0062 4.0062 4.5182 4.5182 4.6258 4.6258 4.6261 4.6261 4.9302 4.9302 4.9324 4.9324 5.0076 5.0076 5.7049 5.7049 5.7885 5.7885 5.7899 5.7899 6.2081 6.2081 6.2128 6.2128 7.2962 7.2962 8.1959 8.1959 8.2987 8.2987 8.3594 8.3594 8.7122 8.7122 8.7741 8.7741 9.4296 9.4296 9.4756 9.4756 9.4761 9.4761 10.8716 10.8716 10.8810 10.8810 14.9067 14.9067 15.6456 15.6456 16.9310 16.9310 17.0029 17.0029 k = 0.4595-0.3249 0.6124 ( 3508 PWs) bands (ev): 2.7935 2.7935 2.7963 2.7963 2.9193 2.9193 2.9621 2.9621 2.9622 2.9622 3.0861 3.0861 3.1399 3.1399 3.1421 3.1421 4.0054 4.0054 4.5185 4.5185 4.6254 4.6254 4.6260 4.6260 4.9268 4.9268 4.9317 4.9317 5.0064 5.0064 5.7012 5.7012 5.7852 5.7852 5.7883 5.7883 6.1991 6.1991 6.2098 6.2098 7.2603 7.2603 8.0988 8.0988 8.3036 8.3036 8.3496 8.3496 8.7743 8.7743 8.8705 8.8705 9.4331 9.4331 9.4786 9.4786 9.4799 9.4799 10.8806 10.8806 10.9019 10.9019 14.8438 14.8438 15.6220 15.6220 16.9208 16.9208 17.0745 17.0745 k = 0.4459-0.3153 0.6124 ( 3508 PWs) bands (ev): 2.7942 2.7942 2.7991 2.7991 2.9209 2.9209 2.9643 2.9643 2.9647 2.9647 3.0892 3.0892 3.1414 3.1414 3.1452 3.1452 4.0043 4.0043 4.5191 4.5191 4.6249 4.6249 4.6259 4.6259 4.9221 4.9221 4.9308 4.9308 5.0048 5.0048 5.6960 5.6960 5.7805 5.7805 5.7860 5.7860 6.1867 6.1867 6.2055 6.2055 7.2134 7.2134 7.9930 7.9930 8.3126 8.3126 8.3444 8.3444 8.8508 8.8508 8.9704 8.9704 9.4379 9.4379 9.4828 9.4828 9.4854 9.4854 10.8934 10.8934 10.9316 10.9316 14.7587 14.7587 15.5956 15.5956 16.9077 16.9077 17.1640 17.1640 k = 0.4324-0.3058 0.6124 ( 3504 PWs) bands (ev): 2.7950 2.7950 2.8028 2.8028 2.9228 2.9228 2.9673 2.9673 2.9680 2.9680 3.0932 3.0932 3.1432 3.1432 3.1492 3.1492 4.0029 4.0029 4.5198 4.5198 4.6243 4.6243 4.6258 4.6258 4.9163 4.9163 4.9297 4.9297 5.0028 5.0028 5.6893 5.6893 5.7747 5.7747 5.7830 5.7830 6.1710 6.1710 6.1999 6.1999 7.1578 7.1578 7.8839 7.8839 8.3259 8.3259 8.3434 8.3434 8.9369 8.9369 9.0695 9.0695 9.4443 9.4443 9.4881 9.4881 9.4930 9.4930 10.9103 10.9103 10.9707 10.9707 14.6548 14.6548 15.5680 15.5680 16.8929 16.8929 17.2652 17.2652 k = 0.4189-0.2962 0.6124 ( 3500 PWs) bands (ev): 2.7959 2.7959 2.8070 2.8070 2.9251 2.9251 2.9708 2.9708 2.9721 2.9721 3.0981 3.0981 3.1455 3.1455 3.1541 3.1541 4.0011 4.0011 4.5209 4.5209 4.6236 4.6236 4.6257 4.6257 4.9093 4.9093 4.9284 4.9284 5.0005 5.0005 5.6811 5.6811 5.7677 5.7677 5.7795 5.7795 6.1520 6.1520 6.1931 6.1931 7.0959 7.0959 7.7739 7.7739 8.3367 8.3367 8.3528 8.3528 9.0290 9.0290 9.1654 9.1654 9.4522 9.4522 9.4945 9.4945 9.5031 9.5031 10.9318 10.9318 11.0198 11.0198 14.5360 14.5360 15.5391 15.5391 16.8780 16.8780 17.3731 17.3731 k = 0.4054-0.2867 0.6124 ( 3496 PWs) bands (ev): 2.7968 2.7968 2.8119 2.8119 2.9276 2.9276 2.9750 2.9750 2.9773 2.9773 3.1038 3.1038 3.1482 3.1482 3.1599 3.1599 3.9991 3.9991 4.5222 4.5222 4.6229 4.6229 4.6256 4.6256 4.9015 4.9015 4.9270 4.9270 4.9980 4.9980 5.6714 5.6714 5.7598 5.7598 5.7754 5.7754 6.1299 6.1299 6.1851 6.1851 7.0296 7.0296 7.6640 7.6640 8.3400 8.3400 8.3770 8.3770 9.1233 9.1233 9.2565 9.2565 9.4617 9.4617 9.5019 9.5019 9.5173 9.5173 10.9583 10.9583 11.0792 11.0792 14.4064 14.4064 15.5073 15.5073 16.8647 16.8647 17.4841 17.4841 k = 0.3919-0.2771 0.6124 ( 3496 PWs) bands (ev): 2.7976 2.7976 2.8173 2.8173 2.9303 2.9303 2.9799 2.9799 2.9833 2.9833 3.1102 3.1102 3.1513 3.1513 3.1665 3.1665 3.9969 3.9969 4.5238 4.5238 4.6222 4.6222 4.6254 4.6254 4.8928 4.8928 4.9255 4.9255 4.9953 4.9953 5.6602 5.6602 5.7509 5.7509 5.7708 5.7708 6.1049 6.1049 6.1758 6.1758 6.9606 6.9606 7.5550 7.5550 8.3430 8.3430 8.4082 8.4082 9.2151 9.2151 9.3416 9.3416 9.4728 9.4728 9.5102 9.5102 9.5380 9.5380 10.9904 10.9904 11.1496 11.1496 14.2690 14.2690 15.4707 15.4707 16.8550 16.8550 17.5952 17.5952 k = 0.3784-0.2676 0.6124 ( 3486 PWs) bands (ev): 2.7982 2.7982 2.8231 2.8231 2.9331 2.9331 2.9854 2.9854 2.9904 2.9904 3.1173 3.1173 3.1549 3.1549 3.1739 3.1739 3.9945 3.9945 4.5259 4.5259 4.6216 4.6216 4.6253 4.6253 4.8836 4.8836 4.9240 4.9240 4.9925 4.9925 5.6475 5.6475 5.7411 5.7411 5.7657 5.7657 6.0773 6.0773 6.1652 6.1652 6.8901 6.8901 7.4472 7.4472 8.3467 8.3467 8.4444 8.4444 9.2978 9.2978 9.4197 9.4197 9.4855 9.4855 9.5197 9.5197 9.5705 9.5705 11.0290 11.0290 11.2312 11.2312 14.1266 14.1266 15.4273 15.4273 16.8510 16.8510 17.7047 17.7047 k = 0.3649-0.2580 0.6124 ( 3494 PWs) bands (ev): 2.7987 2.7987 2.8293 2.8293 2.9361 2.9361 2.9916 2.9916 2.9984 2.9984 3.1251 3.1251 3.1588 3.1588 3.1821 3.1821 3.9920 3.9920 4.5284 4.5284 4.6212 4.6212 4.6252 4.6252 4.8739 4.8739 4.9225 4.9225 4.9896 4.9896 5.6334 5.6334 5.7305 5.7305 5.7600 5.7600 6.0472 6.0472 6.1534 6.1534 6.8191 6.8191 7.3410 7.3410 8.3512 8.3512 8.4848 8.4848 9.3636 9.3636 9.4834 9.4834 9.5051 9.5051 9.5314 9.5314 9.6205 9.6205 11.0748 11.0748 11.3241 11.3241 13.9814 13.9814 15.3756 15.3756 16.8542 16.8542 17.8112 17.8112 k = 0.3514-0.2484 0.6124 ( 3488 PWs) bands (ev): 2.7988 2.7988 2.8357 2.8357 2.9393 2.9393 2.9985 2.9985 3.0073 3.0073 3.1334 3.1334 3.1632 3.1632 3.1909 3.1909 3.9895 3.9895 4.5313 4.5313 4.6210 4.6210 4.6252 4.6252 4.8640 4.8640 4.9211 4.9211 4.9868 4.9868 5.6180 5.6180 5.7193 5.7193 5.7539 5.7539 6.0148 6.0148 6.1402 6.1402 6.7483 6.7483 7.2366 7.2366 8.3566 8.3566 8.5287 8.5287 9.4101 9.4101 9.5055 9.5055 9.5349 9.5349 9.5691 9.5691 9.6898 9.6898 11.1290 11.1290 11.4283 11.4283 13.8351 13.8351 15.3146 15.3146 16.8662 16.8662 17.9138 17.9138 k = 0.3378-0.2389 0.6124 ( 3488 PWs) bands (ev): 2.7985 2.7985 2.8422 2.8422 2.9427 2.9427 3.0060 3.0060 3.0170 3.0170 3.1423 3.1423 3.1680 3.1680 3.2003 3.2003 3.9871 3.9871 4.5346 4.5346 4.6212 4.6212 4.6252 4.6252 4.8540 4.8540 4.9199 4.9199 4.9840 4.9840 5.6013 5.6013 5.7073 5.7073 5.7472 5.7472 5.9805 5.9805 6.1257 6.1257 6.6783 6.6783 7.1343 7.1343 8.3627 8.3627 8.5754 8.5754 9.4426 9.4426 9.5186 9.5186 9.5474 9.5474 9.6263 9.6263 9.7724 9.7724 11.1924 11.1924 11.5432 11.5432 13.6889 13.6889 15.2437 15.2437 16.8875 16.8875 18.0119 18.0119 k = 0.3243-0.2293 0.6124 ( 3482 PWs) bands (ev): 2.7979 2.7979 2.8488 2.8488 2.9463 2.9463 3.0143 3.0143 3.0276 3.0276 3.1516 3.1516 3.1732 3.1732 3.2102 3.2102 3.9850 3.9850 4.5383 4.5383 4.6218 4.6218 4.6256 4.6256 4.8442 4.8442 4.9188 4.9188 4.9813 4.9813 5.5835 5.5835 5.6948 5.6948 5.7401 5.7401 5.9445 5.9445 6.1099 6.1099 6.6096 6.6096 7.0340 7.0340 8.3697 8.3697 8.6240 8.6240 9.4673 9.4673 9.5311 9.5311 9.5589 9.5589 9.6789 9.6789 9.8607 9.8607 11.2661 11.2661 11.6684 11.6684 13.5441 13.5441 15.1632 15.1632 16.9188 16.9188 18.1055 18.1055 k = 0.3108-0.2198 0.6124 ( 3486 PWs) bands (ev): 2.7968 2.7968 2.8553 2.8553 2.9501 2.9501 3.0231 3.0231 3.0388 3.0388 3.1611 3.1611 3.1788 3.1788 3.2204 3.2204 3.9833 3.9833 4.5423 4.5423 4.6226 4.6226 4.6266 4.6266 4.8348 4.8348 4.9180 4.9180 4.9788 4.9788 5.5645 5.5645 5.6816 5.6816 5.7323 5.7323 5.9072 5.9072 6.0927 6.0927 6.5426 6.5426 6.9361 6.9361 8.3776 8.3776 8.6739 8.6739 9.4878 9.4878 9.5438 9.5438 9.5704 9.5704 9.7257 9.7257 9.9492 9.9492 11.3509 11.3509 11.8032 11.8032 13.4016 13.4016 15.0735 15.0735 16.9597 16.9597 18.1945 18.1945 k = 0.2973-0.2102 0.6124 ( 3492 PWs) bands (ev): 2.7952 2.7952 2.8616 2.8616 2.9542 2.9542 3.0326 3.0326 3.0508 3.0508 3.1708 3.1708 3.1848 3.1848 3.2307 3.2307 3.9821 3.9821 4.5464 4.5464 4.6233 4.6233 4.6287 4.6287 4.8260 4.8260 4.9174 4.9174 4.9766 4.9766 5.5446 5.5446 5.6678 5.6678 5.7239 5.7239 5.8690 5.8690 6.0741 6.0741 6.4774 6.4774 6.8406 6.8406 8.3863 8.3863 8.7244 8.7244 9.5053 9.5053 9.5579 9.5579 9.5821 9.5821 9.7672 9.7672 10.0351 10.0351 11.4474 11.4474 11.9469 11.9469 13.2622 13.2622 14.9756 14.9756 17.0099 17.0099 18.2792 18.2792 k = 0.2838-0.2007 0.6124 ( 3484 PWs) bands (ev): 2.7932 2.7932 2.8678 2.8678 2.9584 2.9584 3.0427 3.0427 3.0632 3.0632 3.1804 3.1804 3.1913 3.1913 3.2412 3.2412 3.9818 3.9818 4.5506 4.5506 4.6239 4.6239 4.6324 4.6324 4.8179 4.8179 4.9171 4.9171 4.9745 4.9745 5.5239 5.5239 5.6534 5.6534 5.7143 5.7143 5.8306 5.8306 6.0542 6.0542 6.4144 6.4144 6.7475 6.7475 8.3959 8.3959 8.7745 8.7745 9.5196 9.5196 9.5743 9.5743 9.5945 9.5945 9.8042 9.8042 10.1169 10.1169 11.5557 11.5557 12.0988 12.0988 13.1267 13.1267 14.8704 14.8704 17.0690 17.0690 18.3597 18.3597 k = 0.2703-0.1911 0.6124 ( 3486 PWs) bands (ev): 2.7908 2.7908 2.8736 2.8736 2.9629 2.9629 3.0533 3.0533 3.0762 3.0762 3.1896 3.1896 3.1984 3.1984 3.2515 3.2515 3.9823 3.9823 4.5546 4.5546 4.6247 4.6247 4.6375 4.6375 4.8109 4.8109 4.9170 4.9170 4.9729 4.9729 5.5023 5.5023 5.6384 5.6384 5.7029 5.7029 5.7931 5.7931 6.0328 6.0328 6.3536 6.3536 6.6571 6.6571 8.4063 8.4063 8.8236 8.8236 9.5301 9.5301 9.5927 9.5927 9.6085 9.6085 9.8370 9.8370 10.1941 10.1941 11.6756 11.6756 12.2580 12.2580 12.9958 12.9958 14.7590 14.7590 17.1361 17.1361 18.4366 18.4366 k = 0.2568-0.1816 0.6124 ( 3494 PWs) bands (ev): 2.7880 2.7880 2.8791 2.8791 2.9676 2.9676 3.0643 3.0643 3.0895 3.0895 3.1981 3.1981 3.2064 3.2064 3.2615 3.2615 3.9840 3.9840 4.5584 4.5584 4.6257 4.6257 4.6440 4.6440 4.8051 4.8051 4.9171 4.9171 4.9717 4.9717 5.4802 5.4802 5.6225 5.6225 5.6879 5.6879 5.7587 5.7587 6.0099 6.0099 6.2954 6.2954 6.5694 6.5694 8.4177 8.4177 8.8709 8.8709 9.5371 9.5371 9.6097 9.6097 9.6277 9.6277 9.8662 9.8662 10.2669 10.2669 11.8062 11.8062 12.4238 12.4238 12.8704 12.8704 14.6425 14.6425 17.2106 17.2106 18.5103 18.5103 k = 0.2432-0.1720 0.6124 ( 3496 PWs) bands (ev): 2.7848 2.7848 2.8843 2.8843 2.9725 2.9725 3.0757 3.0757 3.1031 3.1031 3.2057 3.2057 3.2153 3.2153 3.2712 3.2712 3.9870 3.9870 4.5619 4.5619 4.6271 4.6271 4.6519 4.6519 4.8008 4.8008 4.9173 4.9173 4.9710 4.9710 5.4576 5.4576 5.6054 5.6054 5.6664 5.6664 5.7311 5.7311 5.9855 5.9855 6.2399 6.2399 6.4845 6.4845 8.4299 8.4299 8.9158 8.9158 9.5410 9.5410 9.6230 9.6230 9.6538 9.6538 9.8923 9.8923 10.3360 10.3360 11.9464 11.9464 12.5947 12.5947 12.7524 12.7524 14.5220 14.5220 17.2919 17.2919 18.5811 18.5811 k = 0.2297-0.1624 0.6124 ( 3494 PWs) bands (ev): 2.7813 2.7813 2.8891 2.8891 2.9776 2.9776 3.0873 3.0873 3.1169 3.1169 3.2126 3.2126 3.2245 3.2245 3.2804 3.2804 3.9913 3.9913 4.5649 4.5649 4.6292 4.6292 4.6610 4.6610 4.7983 4.7983 4.9175 4.9175 4.9710 4.9710 5.4346 5.4346 5.5862 5.5862 5.6380 5.6380 5.7118 5.7118 5.9597 5.9597 6.1871 6.1871 6.4026 6.4026 8.4431 8.4431 8.9577 8.9577 9.5421 9.5421 9.6348 9.6348 9.6842 9.6842 9.9158 9.9158 10.4026 10.4026 12.0938 12.0938 12.6359 12.6359 12.7775 12.7775 14.3983 14.3983 17.3792 17.3792 18.6495 18.6495 k = 0.2162-0.1529 0.6124 ( 3502 PWs) bands (ev): 2.7776 2.7776 2.8935 2.8935 2.9828 2.9828 3.0990 3.0990 3.1308 3.1308 3.2190 3.2190 3.2339 3.2339 3.2892 3.2892 3.9971 3.9971 4.5674 4.5674 4.6321 4.6321 4.6709 4.6709 4.7979 4.7979 4.9177 4.9177 4.9718 4.9718 5.4114 5.4114 5.5626 5.5626 5.6080 5.6080 5.6980 5.6980 5.9323 5.9323 6.1373 6.1373 6.3236 6.3236 8.4572 8.4572 8.9962 8.9962 9.5404 9.5404 9.6457 9.6457 9.7174 9.7174 9.9369 9.9369 10.4675 10.4675 12.2417 12.2417 12.5400 12.5400 12.9589 12.9589 14.2726 14.2726 17.4720 17.4720 18.7158 18.7158 k = 0.2027-0.1433 0.6124 ( 3498 PWs) bands (ev): 2.7736 2.7736 2.8975 2.8975 2.9881 2.9881 3.1106 3.1106 3.1446 3.1446 3.2249 3.2249 3.2430 3.2430 3.2974 3.2974 4.0043 4.0043 4.5694 4.5694 4.6361 4.6361 4.6813 4.6813 4.7997 4.7997 4.9176 4.9176 4.9736 4.9736 5.3882 5.3882 5.5321 5.5321 5.5823 5.5823 5.6869 5.6869 5.9035 5.9035 6.0904 6.0904 6.2479 6.2479 8.4722 8.4722 9.0311 9.0311 9.5361 9.5361 9.6562 9.6562 9.7524 9.7524 9.9562 9.9562 10.5320 10.5320 12.3397 12.3397 12.5060 12.5060 13.1464 13.1464 14.1459 14.1459 17.5694 17.5694 18.7800 18.7800 k = 0.1892-0.1338 0.6124 ( 3502 PWs) bands (ev): 2.7695 2.7695 2.9011 2.9011 2.9935 2.9935 3.1221 3.1221 3.1583 3.1583 3.2304 3.2304 3.2519 3.2519 3.3051 3.3051 4.0130 4.0130 4.5708 4.5708 4.6414 4.6414 4.6917 4.6917 4.8041 4.8041 4.9171 4.9171 4.9767 4.9767 5.3651 5.3651 5.4960 5.4960 5.5612 5.5612 5.6772 5.6772 5.8733 5.8733 6.0466 6.0466 6.1755 6.1755 8.4880 8.4880 9.0623 9.0623 9.5291 9.5291 9.6661 9.6661 9.7883 9.7883 9.9737 9.9737 10.5972 10.5972 12.2943 12.2943 12.6274 12.6274 13.3381 13.3381 14.0199 14.0199 17.6708 17.6708 18.8418 18.8418 k = 0.1757-0.1242 0.6124 ( 3510 PWs) bands (ev): 2.7653 2.7653 2.9044 2.9044 2.9988 2.9988 3.1332 3.1332 3.1717 3.1717 3.2353 3.2353 3.2606 3.2606 3.3122 3.3122 4.0230 4.0230 4.5716 4.5716 4.6479 4.6479 4.7018 4.7018 4.8111 4.8111 4.9161 4.9161 4.9810 4.9810 5.3423 5.3423 5.4572 5.4572 5.5428 5.5428 5.6681 5.6681 5.8419 5.8419 6.0057 6.0057 6.1067 6.1067 8.5046 8.5046 9.0899 9.0899 9.5196 9.5196 9.6754 9.6754 9.8241 9.8241 9.9897 9.9897 10.6641 10.6641 12.2150 12.2150 12.7929 12.7929 13.5325 13.5325 13.8975 13.8975 17.7752 17.7752 18.8963 18.8963 k = 0.1622-0.1147 0.6124 ( 3518 PWs) bands (ev): 2.7611 2.7611 2.9072 2.9072 3.0042 3.0042 3.1439 3.1439 3.1847 3.1847 3.2397 3.2397 3.2689 3.2689 3.3188 3.3188 4.0342 4.0342 4.5720 4.5720 4.6559 4.6559 4.7114 4.7114 4.8205 4.8205 4.9147 4.9147 4.9868 4.9868 5.3199 5.3199 5.4177 5.4177 5.5257 5.5257 5.6595 5.6595 5.8093 5.8093 5.9677 5.9677 6.0417 6.0417 8.5220 8.5220 9.1143 9.1143 9.5077 9.5077 9.6843 9.6843 9.8588 9.8588 10.0047 10.0047 10.7333 10.7333 12.1366 12.1366 12.9634 12.9634 13.7100 13.7100 13.8021 13.8021 17.8809 17.8809 18.8702 18.8702 k = 0.1486-0.1051 0.6124 ( 3510 PWs) bands (ev): 2.7570 2.7570 2.9098 2.9098 3.0094 3.0094 3.1538 3.1538 3.1971 3.1971 3.2437 3.2437 3.2768 3.2768 3.3249 3.3249 4.0465 4.0465 4.5719 4.5719 4.6652 4.6652 4.7206 4.7206 4.8317 4.8317 4.9129 4.9129 4.9941 4.9941 5.2983 5.2983 5.3788 5.3788 5.5095 5.5095 5.6513 5.6513 5.7759 5.7759 5.9321 5.9321 5.9812 5.9812 8.5399 8.5399 9.1355 9.1355 9.4935 9.4935 9.6925 9.6925 9.8916 9.8916 10.0189 10.0189 10.8056 10.8056 12.0637 12.0637 13.1231 13.1231 13.6667 13.6667 13.9488 13.9488 17.9842 17.9842 18.6626 18.6626 k = 0.1351-0.0956 0.6124 ( 3500 PWs) bands (ev): 2.7529 2.7529 2.9121 2.9121 3.0146 3.0146 3.1628 3.1628 3.2088 3.2088 3.2475 3.2475 3.2844 3.2844 3.3304 3.3304 4.0594 4.0594 4.5715 4.5715 4.6758 4.6758 4.7294 4.7294 4.8438 4.8438 4.9110 4.9110 5.0028 5.0028 5.2773 5.2773 5.3412 5.3412 5.4942 5.4942 5.6432 5.6432 5.7417 5.7417 5.8975 5.8975 5.9267 5.9267 8.5584 8.5584 9.1539 9.1539 9.4773 9.4773 9.7002 9.7002 9.9216 9.9216 10.0324 10.0324 10.8811 10.8811 11.9972 11.9972 13.2312 13.2312 13.6262 13.6262 14.1532 14.1532 18.0691 18.0691 18.4493 18.4493 k = 0.1216-0.0860 0.6124 ( 3496 PWs) bands (ev): 2.7490 2.7490 2.9141 2.9141 3.0195 3.0195 3.1708 3.1708 3.2195 3.2195 3.2512 3.2512 3.2917 3.2917 3.3352 3.3352 4.0729 4.0729 4.5708 4.5708 4.6875 4.6875 4.7380 4.7380 4.8559 4.8559 4.9094 4.9094 5.0127 5.0127 5.2566 5.2566 5.3065 5.3065 5.4799 5.4799 5.6353 5.6353 5.7072 5.7072 5.8585 5.8585 5.8839 5.8839 8.5771 8.5771 9.1699 9.1699 9.4594 9.4594 9.7072 9.7072 9.9481 9.9481 10.0454 10.0454 10.9599 10.9599 11.9376 11.9376 13.2243 13.2243 13.7034 13.7034 14.3627 14.3627 18.0464 18.0464 18.3420 18.3420 k = 0.1081-0.0764 0.6124 ( 3498 PWs) bands (ev): 2.7454 2.7454 2.9158 2.9158 3.0241 3.0241 3.1775 3.1775 3.2290 3.2290 3.2552 3.2552 3.2984 3.2984 3.3395 3.3395 4.0865 4.0865 4.5699 4.5699 4.7000 4.7000 4.7466 4.7466 4.8664 4.8664 4.9092 4.9092 5.0235 5.0235 5.2348 5.2348 5.2768 5.2768 5.4667 5.4667 5.6272 5.6272 5.6726 5.6726 5.8144 5.8144 5.8539 5.8539 8.5957 8.5957 9.1836 9.1836 9.4404 9.4404 9.7134 9.7134 9.9707 9.9707 10.0582 10.0582 11.0417 11.0417 11.8849 11.8849 13.1404 13.1404 13.8620 13.8620 14.5756 14.5756 17.8601 17.8601 18.3792 18.3792 k = 0.0946-0.0669 0.6124 ( 3494 PWs) bands (ev): 2.7420 2.7420 2.9173 2.9173 3.0284 3.0284 3.1830 3.1830 3.2370 3.2370 3.2598 3.2598 3.3048 3.3048 3.3430 3.3430 4.0998 4.0998 4.5690 4.5690 4.7131 4.7131 4.7552 4.7552 4.8734 4.8734 4.9116 4.9116 5.0342 5.0342 5.2100 5.2100 5.2556 5.2556 5.4549 5.4549 5.6180 5.6180 5.6389 5.6389 5.7723 5.7723 5.8300 5.8300 8.6141 8.6141 9.1953 9.1953 9.4207 9.4207 9.7191 9.7191 9.9893 9.9893 10.0709 10.0709 11.1257 11.1257 11.8390 11.8390 13.0340 13.0340 14.0471 14.0471 14.7909 14.7909 17.6346 17.6346 18.1682 18.1682 k = 0.0811-0.0573 0.6124 ( 3494 PWs) bands (ev): 2.7390 2.7390 2.9186 2.9186 3.0323 3.0323 3.1871 3.1871 3.2437 3.2437 3.2647 3.2647 3.3106 3.3106 3.3458 3.3458 4.1126 4.1126 4.5679 4.5679 4.7262 4.7262 4.7636 4.7636 4.8764 4.8764 4.9173 4.9173 5.0438 5.0438 5.1828 5.1828 5.2437 5.2437 5.4448 5.4448 5.5990 5.5990 5.6149 5.6149 5.7350 5.7350 5.8100 5.8100 8.6317 8.6317 9.2052 9.2052 9.4010 9.4010 9.7239 9.7239 10.0040 10.0040 10.0830 10.0830 11.2109 11.2109 11.7997 11.7997 12.9231 12.9231 14.2407 14.2407 15.0081 15.0081 17.4059 17.4059 17.9226 17.9226 k = 0.0676-0.0478 0.6124 ( 3508 PWs) bands (ev): 2.7363 2.7363 2.9196 2.9196 3.0358 3.0358 3.1900 3.1900 3.2490 3.2490 3.2699 3.2699 3.3158 3.3158 3.3480 3.3480 4.1244 4.1244 4.5669 4.5669 4.7391 4.7391 4.7717 4.7717 4.8767 4.8767 4.9246 4.9246 5.0509 5.0509 5.1560 5.1560 5.2398 5.2398 5.4367 5.4367 5.5678 5.5678 5.6032 5.6032 5.7038 5.7038 5.7932 5.7932 8.6481 8.6481 9.2136 9.2136 9.3820 9.3820 9.7280 9.7280 10.0153 10.0153 10.0941 10.0941 11.2956 11.2956 11.7668 11.7668 12.8143 12.8143 14.4354 14.4354 15.2263 15.2263 17.1826 17.1826 17.6786 17.6786 k = 0.0541-0.0382 0.6124 ( 3504 PWs) bands (ev): 2.7341 2.7341 2.9205 2.9205 3.0388 3.0388 3.1919 3.1919 3.2532 3.2532 3.2747 3.2747 3.3204 3.3204 3.3495 3.3495 4.1348 4.1348 4.5659 4.5659 4.7512 4.7512 4.7789 4.7789 4.8763 4.8763 4.9319 4.9319 5.0546 5.0546 5.1317 5.1317 5.2427 5.2427 5.4309 5.4309 5.5366 5.5366 5.5916 5.5916 5.6797 5.6797 5.7797 5.7797 8.6627 8.6627 9.2205 9.2205 9.3646 9.3646 9.7314 9.7314 10.0239 10.0239 10.1039 10.1039 11.3773 11.3773 11.7402 11.7402 12.7121 12.7121 14.6257 14.6257 15.4437 15.4437 16.9711 16.9711 17.4380 17.4380 k = 0.0405-0.0287 0.6124 ( 3512 PWs) bands (ev): 2.7323 2.7323 2.9211 2.9211 3.0411 3.0411 3.1931 3.1931 3.2565 3.2565 3.2789 3.2789 3.3242 3.3242 3.3504 3.3504 4.1434 4.1434 4.5650 4.5650 4.7621 4.7621 4.7845 4.7845 4.8763 4.8763 4.9380 4.9380 5.0552 5.0552 5.1113 5.1113 5.2507 5.2507 5.4273 5.4273 5.5077 5.5077 5.5794 5.5794 5.6630 5.6630 5.7693 5.7693 8.6750 8.6750 9.2260 9.2260 9.3496 9.3496 9.7341 9.7341 10.0300 10.0300 10.1117 10.1117 11.4522 11.4522 11.7197 11.7197 12.6209 12.6209 14.8042 14.8042 15.6569 15.6569 16.7805 16.7805 17.2025 17.2025 k = 0.0270-0.0191 0.6124 ( 3494 PWs) bands (ev): 2.7310 2.7310 2.9216 2.9216 3.0429 3.0429 3.1938 3.1938 3.2588 3.2588 3.2820 3.2820 3.3271 3.3271 3.3508 3.3508 4.1499 4.1499 4.5643 4.5643 4.7713 4.7713 4.7879 4.7879 4.8772 4.8772 4.9422 4.9422 5.0539 5.0539 5.0960 5.0960 5.2609 5.2609 5.4264 5.4264 5.4827 5.4827 5.5681 5.5681 5.6525 5.6525 5.7619 5.7619 8.6844 8.6844 9.2301 9.2301 9.3381 9.3381 9.7360 9.7360 10.0343 10.0343 10.1176 10.1176 11.5148 11.5148 11.7051 11.7051 12.5467 12.5467 14.9588 14.9588 15.8565 15.8565 16.6284 16.6284 16.9758 16.9758 k = 0.0135-0.0096 0.6124 ( 3494 PWs) bands (ev): 2.7303 2.7303 2.9218 2.9218 3.0439 3.0439 3.1941 3.1941 3.2603 3.2603 3.2839 3.2839 3.3290 3.3290 3.3510 3.3510 4.1539 4.1539 4.5638 4.5638 4.7782 4.7782 4.7886 4.7886 4.8785 4.8785 4.9444 4.9444 5.0524 5.0524 5.0864 5.0864 5.2696 5.2696 5.4278 5.4278 5.4640 5.4640 5.5602 5.5602 5.6470 5.6470 5.7575 5.7575 8.6902 8.6902 9.2327 9.2327 9.3306 9.3306 9.7372 9.7372 10.0367 10.0367 10.1211 10.1211 11.5576 11.5576 11.6962 11.6962 12.4971 12.4971 15.0698 15.0698 16.0153 16.0153 16.5523 16.5523 16.7672 16.7672 k = 0.0000 0.0000 0.6124 ( 3500 PWs) bands (ev): 2.7300 2.7300 2.9219 2.9219 3.0443 3.0443 3.1942 3.1942 3.2608 3.2608 3.2846 3.2846 3.3296 3.3296 3.3510 3.3510 4.1552 4.1552 4.5636 4.5636 4.7813 4.7813 4.7881 4.7881 4.8791 4.8791 4.9450 4.9450 5.0517 5.0517 5.0831 5.0831 5.2731 5.2731 5.4294 5.4294 5.4562 5.4562 5.5573 5.5573 5.6453 5.6453 5.7560 5.7560 8.6922 8.6922 9.2336 9.2336 9.3281 9.3281 9.7376 9.7376 10.0375 10.0375 10.1223 10.1223 11.5730 11.5730 11.6931 11.6931 12.4794 12.4794 15.1113 15.1113 16.0782 16.0782 16.5991 16.5991 16.6110 16.6110 k = 0.0000 0.0000 0.6124 ( 3500 PWs) bands (ev): 2.7300 2.7300 2.9219 2.9219 3.0443 3.0443 3.1942 3.1942 3.2608 3.2608 3.2846 3.2846 3.3296 3.3296 3.3510 3.3510 4.1552 4.1552 4.5636 4.5636 4.7813 4.7813 4.7881 4.7881 4.8791 4.8791 4.9450 4.9450 5.0517 5.0517 5.0831 5.0831 5.2731 5.2731 5.4294 5.4294 5.4562 5.4562 5.5573 5.5573 5.6453 5.6453 5.7560 5.7560 8.6922 8.6922 9.2336 9.2336 9.3281 9.3281 9.7376 9.7376 10.0375 10.0375 10.1223 10.1223 11.5730 11.5730 11.6931 11.6931 12.4794 12.4794 15.1113 15.1113 16.0782 16.0782 16.5991 16.5991 16.6110 16.6110 k = 0.0000 0.0000 0.5958 ( 3500 PWs) bands (ev): 2.7290 2.7290 2.9220 2.9220 3.0432 3.0432 3.1938 3.1938 3.2584 3.2584 3.2858 3.2858 3.3287 3.3287 3.3505 3.3505 4.1504 4.1504 4.5620 4.5620 4.7781 4.7781 4.7921 4.7921 4.8784 4.8784 4.9451 4.9451 5.0501 5.0501 5.0842 5.0842 5.2737 5.2737 5.4137 5.4137 5.4643 5.4643 5.5588 5.5588 5.6479 5.6479 5.7754 5.7754 8.6933 8.6933 9.2351 9.2351 9.3287 9.3287 9.7389 9.7389 10.0377 10.0377 10.1225 10.1225 11.5729 11.5729 11.6936 11.6936 12.4792 12.4792 15.0937 15.0937 16.0900 16.0900 16.5264 16.5264 16.6927 16.6927 k = 0.0000 0.0000 0.5793 ( 3506 PWs) bands (ev): 2.7258 2.7258 2.9221 2.9221 3.0401 3.0401 3.1924 3.1924 3.2524 3.2524 3.2883 3.2883 3.3260 3.3260 3.3487 3.3487 4.1361 4.1361 4.5576 4.5576 4.7744 4.7744 4.7975 4.7975 4.8771 4.8771 4.9456 4.9456 5.0465 5.0465 5.0862 5.0862 5.2742 5.2742 5.3881 5.3881 5.4767 5.4767 5.5601 5.5601 5.6549 5.6549 5.8293 5.8293 8.6968 8.6968 9.2394 9.2394 9.3304 9.3304 9.7428 9.7428 10.0383 10.0383 10.1231 10.1231 11.5725 11.5725 11.6951 11.6951 12.4784 12.4784 15.0443 15.0443 16.1181 16.1181 16.4632 16.4632 16.7866 16.7866 k = 0.0000 0.0000 0.5627 ( 3508 PWs) bands (ev): 2.7206 2.7206 2.9222 2.9222 3.0351 3.0351 3.1900 3.1900 3.2445 3.2445 3.2906 3.2906 3.3217 3.3217 3.3458 3.3458 4.1125 4.1125 4.5511 4.5511 4.7718 4.7718 4.8003 4.8003 4.8774 4.8774 4.9464 4.9464 5.0427 5.0427 5.0873 5.0873 5.2706 5.2706 5.3701 5.3701 5.4912 5.4912 5.5592 5.5592 5.6649 5.6649 5.9081 5.9081 8.7025 8.7025 9.2468 9.2468 9.3334 9.3334 9.7494 9.7494 10.0394 10.0394 10.1241 10.1241 11.5718 11.5718 11.6976 11.6976 12.4771 12.4771 14.9704 14.9704 16.1402 16.1402 16.4309 16.4309 16.8861 16.8861 k = 0.0000 0.0000 0.5462 ( 3508 PWs) bands (ev): 2.7133 2.7133 2.9224 2.9224 3.0282 3.0282 3.1861 3.1861 3.2356 3.2356 3.2920 3.2920 3.3161 3.3161 3.3417 3.3417 4.0804 4.0804 4.5437 4.5437 4.7691 4.7691 4.7995 4.7995 4.8812 4.8812 4.9479 4.9479 5.0397 5.0397 5.0867 5.0867 5.2593 5.2593 5.3682 5.3682 5.5084 5.5084 5.5577 5.5577 5.6767 5.6767 6.0039 6.0039 8.7105 8.7105 9.2572 9.2572 9.3375 9.3375 9.7585 9.7585 10.0409 10.0409 10.1256 10.1256 11.5709 11.5709 11.7010 11.7010 12.4753 12.4753 14.8797 14.8797 16.1286 16.1286 16.4499 16.4499 16.9909 16.9909 k = 0.0000 0.0000 0.5296 ( 3504 PWs) bands (ev): 2.7039 2.7039 2.9225 2.9225 3.0197 3.0197 3.1802 3.1802 3.2265 3.2265 3.2919 3.2919 3.3096 3.3096 3.3365 3.3365 4.0408 4.0408 4.5363 4.5363 4.7634 4.7634 4.7981 4.7981 4.8883 4.8883 4.9505 4.9505 5.0378 5.0378 5.0845 5.0845 5.2435 5.2435 5.3802 5.3802 5.5274 5.5274 5.5577 5.5577 5.6897 5.6897 6.1119 6.1119 8.7209 8.7209 9.2704 9.2704 9.3429 9.3429 9.7703 9.7703 10.0429 10.0429 10.1275 10.1275 11.5698 11.5698 11.7054 11.7054 12.4730 12.4730 14.7779 14.7779 16.0839 16.0839 16.5141 16.5141 17.1005 17.1005 k = 0.0000 0.0000 0.5131 ( 3508 PWs) bands (ev): 2.6923 2.6923 2.9224 2.9224 3.0098 3.0098 3.1717 3.1717 3.2180 3.2180 3.2897 3.2897 3.3029 3.3029 3.3302 3.3302 3.9950 3.9950 4.5295 4.5295 4.7523 4.7523 4.7998 4.7998 4.8966 4.8966 4.9548 4.9548 5.0367 5.0367 5.0815 5.0815 5.2281 5.2281 5.4005 5.4005 5.5434 5.5434 5.5649 5.5649 5.7037 5.7037 6.2294 6.2294 8.7336 8.7336 9.2864 9.2864 9.3496 9.3496 9.7846 9.7846 10.0452 10.0452 10.1297 10.1297 11.5684 11.5684 11.7106 11.7106 12.4701 12.4701 14.6692 14.6692 16.0235 16.0235 16.6018 16.6018 17.2148 17.2148 k = 0.0000 0.0000 0.4965 ( 3508 PWs) bands (ev): 2.6784 2.6784 2.9222 2.9222 2.9987 2.9987 3.1604 3.1604 3.2104 3.2104 3.2844 3.2844 3.2970 3.2970 3.3231 3.3231 3.9447 3.9447 4.5234 4.5234 4.7371 4.7371 4.8048 4.8048 4.9039 4.9039 4.9615 4.9615 5.0358 5.0358 5.0788 5.0788 5.2155 5.2155 5.4251 5.4251 5.5513 5.5513 5.5849 5.5849 5.7182 5.7182 6.3545 6.3545 8.7485 8.7485 9.3049 9.3049 9.3576 9.3576 9.8014 9.8014 10.0481 10.0481 10.1324 10.1324 11.5668 11.5668 11.7167 11.7167 12.4668 12.4668 14.5563 14.5563 15.9570 15.9570 16.7005 16.7005 17.3330 17.3330 k = 0.0000 0.0000 0.4800 ( 3500 PWs) bands (ev): 2.6623 2.6623 2.9217 2.9217 2.9868 2.9868 3.1464 3.1464 3.2038 3.2038 3.2764 3.2764 3.2916 3.2916 3.3156 3.3156 3.8913 3.8913 4.5183 4.5183 4.7198 4.7198 4.8123 4.8123 4.9090 4.9090 4.9708 4.9708 5.0345 5.0345 5.0774 5.0774 5.2061 5.2061 5.4517 5.4517 5.5588 5.5588 5.6108 5.6108 5.7332 5.7332 6.4861 6.4861 8.7659 8.7659 9.3259 9.3259 9.3673 9.3673 9.8207 9.8207 10.0513 10.0513 10.1355 10.1355 11.5649 11.5649 11.7237 11.7237 12.4630 12.4630 14.4410 14.4410 15.8882 15.8882 16.8044 16.8044 17.4523 17.4523 k = 0.0000 0.0000 0.4634 ( 3501 PWs) bands (ev): 2.6438 2.6438 2.9208 2.9208 2.9743 2.9743 3.1303 3.1303 3.1978 3.1978 3.2668 3.2668 3.2853 3.2853 3.3078 3.3078 3.8361 3.8361 4.5140 4.5140 4.7018 4.7018 4.8212 4.8212 4.9120 4.9120 4.9818 4.9818 5.0323 5.0323 5.0782 5.0782 5.1999 5.1999 5.4783 5.4783 5.5704 5.5704 5.6391 5.6391 5.7486 5.7486 6.6231 6.6231 8.7855 8.7855 9.3484 9.3484 9.3791 9.3791 9.8425 9.8425 10.0549 10.0549 10.1389 10.1389 11.5628 11.5628 11.7313 11.7313 12.4586 12.4586 14.3248 14.3248 15.8185 15.8185 16.9094 16.9094 17.4084 17.4084 k = 0.0000 0.0000 0.4469 ( 3501 PWs) bands (ev): 2.6230 2.6230 2.9194 2.9194 2.9615 2.9615 3.1126 3.1126 3.1921 3.1921 3.2564 3.2564 3.2775 3.2775 3.3002 3.3002 3.7804 3.7804 4.5104 4.5104 4.6837 4.6837 4.8313 4.8313 4.9132 4.9132 4.9934 4.9934 5.0291 5.0291 5.0812 5.0812 5.1963 5.1963 5.5033 5.5033 5.5878 5.5878 5.6687 5.6687 5.7642 5.7642 6.7649 6.7649 8.8075 8.8075 9.3706 9.3706 9.3951 9.3951 9.8667 9.8667 10.0590 10.0590 10.1428 10.1428 11.5604 11.5604 11.7397 11.7397 12.4538 12.4538 14.2087 14.2087 15.7482 15.7482 17.0032 17.0032 17.2054 17.2054 k = 0.0000 0.0000 0.4303 ( 3505 PWs) bands (ev): 2.5998 2.5998 2.9174 2.9174 2.9487 2.9487 3.0936 3.0936 3.1865 3.1865 3.2455 3.2455 3.2681 3.2681 3.2928 3.2928 3.7252 3.7252 4.5074 4.5074 4.6662 4.6662 4.8421 4.8421 4.9132 4.9132 5.0048 5.0048 5.0255 5.0255 5.0861 5.0861 5.1950 5.1950 5.5265 5.5265 5.6114 5.6114 5.6991 5.6991 5.7801 5.7801 6.9108 6.9108 8.8318 8.8318 9.3892 9.3892 9.4183 9.4183 9.8932 9.8932 10.0634 10.0634 10.1471 10.1471 11.5577 11.5577 11.7487 11.7487 12.4485 12.4485 14.0933 14.0933 15.6775 15.6775 16.9363 16.9363 17.1636 17.1636 k = 0.0000 0.0000 0.4138 ( 3497 PWs) bands (ev): 2.5743 2.5743 2.9143 2.9143 2.9365 2.9365 3.0738 3.0738 3.1808 3.1808 3.2344 3.2344 3.2574 3.2574 3.2854 3.2854 3.6711 3.6711 4.5048 4.5048 4.6494 4.6494 4.8536 4.8536 4.9123 4.9123 5.0147 5.0147 5.0225 5.0225 5.0923 5.0923 5.1954 5.1954 5.5489 5.5489 5.6400 5.6400 5.7300 5.7300 5.7964 5.7964 7.0603 7.0603 8.8585 8.8585 9.4051 9.4051 9.4477 9.4477 9.9222 9.9222 10.0684 10.0684 10.1518 10.1518 11.5547 11.5547 11.7585 11.7585 12.4428 12.4428 13.9795 13.9795 15.6062 15.6062 16.7317 16.7317 17.0669 17.0669 k = 0.0000 0.0000 0.3972 ( 3499 PWs) bands (ev): 2.5466 2.5466 2.9092 2.9092 2.9260 2.9260 3.0535 3.0535 3.1751 3.1751 3.2232 3.2232 3.2457 3.2457 3.2777 3.2777 3.6188 3.6188 4.5027 4.5027 4.6335 4.6335 4.8655 4.8655 4.9109 4.9109 5.0170 5.0170 5.0265 5.0265 5.0992 5.0992 5.1970 5.1970 5.5722 5.5722 5.6716 5.6716 5.7608 5.7608 5.8131 5.8131 7.2128 7.2128 8.8874 8.8874 9.4204 9.4204 9.4811 9.4811 9.9534 9.9534 10.0737 10.0737 10.1571 10.1571 11.5512 11.5512 11.7688 11.7688 12.4366 12.4366 13.8677 13.8677 15.5340 15.5340 16.5194 16.5194 16.8477 16.8477 k = 0.0000 0.0000 0.3807 ( 3495 PWs) bands (ev): 2.5169 2.5169 2.9009 2.9009 2.9185 2.9185 3.0329 3.0329 3.1694 3.1694 3.2120 3.2120 3.2334 3.2334 3.2697 3.2697 3.5685 3.5685 4.5008 4.5008 4.6186 4.6186 4.8777 4.8777 4.9089 4.9089 5.0147 5.0147 5.0344 5.0344 5.1067 5.1067 5.1994 5.1994 5.5974 5.5974 5.7048 5.7048 5.7909 5.7909 5.8307 5.8307 7.3680 7.3680 8.9185 8.9185 9.4360 9.4360 9.5175 9.5175 9.9869 9.9869 10.0795 10.0795 10.1629 10.1629 11.5472 11.5472 11.7796 11.7796 12.4301 12.4301 13.7584 13.7584 15.4604 15.4604 16.3083 16.3083 16.6311 16.6311 k = 0.0000 0.0000 0.3641 ( 3495 PWs) bands (ev): 2.4853 2.4853 2.8902 2.8902 2.9132 2.9132 3.0122 3.0122 3.1636 3.1636 3.2010 3.2010 3.2207 3.2207 3.2612 3.2612 3.5207 3.5207 4.4992 4.4992 4.6047 4.6047 4.8901 4.8901 4.9066 4.9066 5.0128 5.0128 5.0414 5.0414 5.1145 5.1145 5.2023 5.2023 5.6250 5.6250 5.7385 5.7385 5.8191 5.8191 5.8504 5.8504 7.5251 7.5251 8.9519 8.9519 9.4521 9.4521 9.5564 9.5564 10.0222 10.0222 10.0857 10.0857 10.1694 10.1694 11.5427 11.5427 11.7910 11.7910 12.4233 12.4233 13.6522 13.6522 15.3852 15.3852 16.0997 16.0997 16.4176 16.4176 k = 0.0000 0.0000 0.3476 ( 3491 PWs) bands (ev): 2.4523 2.4523 2.8788 2.8788 2.9086 2.9086 2.9916 2.9916 3.1577 3.1577 3.1902 3.1902 3.2079 3.2079 3.2524 3.2524 3.4754 3.4754 4.4978 4.4978 4.5918 4.5918 4.9025 4.9025 4.9040 4.9040 5.0115 5.0115 5.0471 5.0471 5.1227 5.1227 5.2053 5.2053 5.6552 5.6552 5.7718 5.7718 5.8439 5.8439 5.8736 5.8736 7.6838 7.6838 8.9874 8.9874 9.4689 9.4689 9.5979 9.5979 10.0589 10.0589 10.0926 10.0926 10.1772 10.1772 11.5375 11.5375 11.8028 11.8028 12.4163 12.4163 13.5495 13.5495 15.3076 15.3076 15.8945 15.8945 16.2075 16.2075 k = 0.0000 0.0000 0.3310 ( 3487 PWs) bands (ev): 2.4181 2.4181 2.8673 2.8673 2.9039 2.9039 2.9714 2.9714 3.1518 3.1518 3.1798 3.1798 3.1951 3.1951 3.2432 3.2432 3.4327 3.4327 4.4965 4.4965 4.5799 4.5799 4.9013 4.9013 4.9148 4.9148 5.0110 5.0110 5.0518 5.0518 5.1310 5.1310 5.2084 5.2084 5.6877 5.6877 5.8037 5.8037 5.8657 5.8657 5.9004 5.9004 7.8434 7.8434 9.0249 9.0249 9.4863 9.4863 9.6417 9.6417 10.0931 10.0931 10.1029 10.1029 10.1872 10.1872 11.5317 11.5317 11.8151 11.8151 12.4093 12.4093 13.4508 13.4508 15.2271 15.2271 15.6931 15.6931 16.0010 16.0010 k = 0.0000 0.0000 0.3145 ( 3487 PWs) bands (ev): 2.3831 2.3831 2.8562 2.8562 2.8989 2.8989 2.9517 2.9517 3.1457 3.1457 3.1699 3.1699 3.1824 3.1824 3.2338 3.2338 3.3926 3.3926 4.4953 4.4953 4.5690 4.5690 4.8986 4.8986 4.9271 4.9271 5.0111 5.0111 5.0554 5.0554 5.1396 5.1396 5.2114 5.2114 5.7223 5.7223 5.8329 5.8329 5.8869 5.8869 5.9288 5.9288 8.0031 8.0031 9.0643 9.0643 9.5041 9.5041 9.6879 9.6879 10.1054 10.1054 10.1332 10.1332 10.2021 10.2021 11.5251 11.5251 11.8277 11.8277 12.4023 12.4023 13.3565 13.3565 15.1427 15.1427 15.4962 15.4962 15.7983 15.7983 k = 0.0000 0.0000 0.2979 ( 3499 PWs) bands (ev): 2.3476 2.3476 2.8454 2.8454 2.8934 2.8934 2.9327 2.9327 3.1394 3.1394 3.1608 3.1608 3.1699 3.1699 3.2242 3.2242 3.3551 3.3551 4.4943 4.4943 4.5590 4.5590 4.8958 4.8958 4.9391 4.9391 5.0117 5.0117 5.0581 5.0581 5.1483 5.1483 5.2143 5.2143 5.7584 5.7584 5.8581 5.8581 5.9099 5.9099 5.9576 5.9576 8.1622 8.1622 9.1056 9.1056 9.5223 9.5223 9.7365 9.7365 10.1135 10.1135 10.1604 10.1604 10.2274 10.2274 11.5177 11.5177 11.8405 11.8405 12.3956 12.3956 13.2672 13.2672 15.0527 15.0527 15.3052 15.3052 15.5996 15.5996 k = 0.0000 0.0000 0.2814 ( 3497 PWs) bands (ev): 2.3121 2.3121 2.8350 2.8350 2.8873 2.8873 2.9147 2.9147 3.1326 3.1326 3.1526 3.1526 3.1578 3.1578 3.2145 3.2145 3.3201 3.3201 4.4933 4.4933 4.5498 4.5498 4.8932 4.8932 4.9508 4.9508 5.0128 5.0128 5.0601 5.0601 5.1570 5.1570 5.2171 5.2171 5.7957 5.7957 5.8788 5.8788 5.9355 5.9355 5.9860 5.9860 8.3197 8.3197 9.1485 9.1485 9.5408 9.5408 9.7878 9.7878 10.1217 10.1217 10.1782 10.1782 10.2653 10.2653 11.5095 11.5095 11.8535 11.8535 12.3894 12.3894 13.1832 13.1832 14.9537 14.9537 15.1234 15.1234 15.4052 15.4052 k = 0.0000 0.0000 0.2648 ( 3497 PWs) bands (ev): 2.2769 2.2769 2.8252 2.8252 2.8798 2.8798 2.8985 2.8985 3.1253 3.1253 3.1446 3.1446 3.1471 3.1471 3.2047 3.2047 3.2875 3.2875 4.4924 4.4924 4.5415 4.5415 4.8907 4.8907 4.9621 4.9621 5.0144 5.0144 5.0615 5.0615 5.1657 5.1657 5.2198 5.2198 5.8336 5.8336 5.8958 5.8958 5.9628 5.9628 6.0136 6.0136 8.4744 8.4744 9.1929 9.1929 9.5594 9.5594 9.8420 9.8420 10.1303 10.1303 10.1909 10.1909 10.3111 10.3111 11.5004 11.5004 11.8666 11.8666 12.3842 12.3842 13.1051 13.1051 14.8359 14.8359 14.9600 14.9600 15.2152 15.2152 k = 0.0000 0.0000 0.2483 ( 3493 PWs) bands (ev): 2.2423 2.2423 2.8157 2.8157 2.8696 2.8696 2.8858 2.8858 3.1175 3.1175 3.1341 3.1341 3.1405 3.1405 3.1951 3.1951 3.2573 3.2573 4.4915 4.4915 4.5339 4.5339 4.8883 4.8883 4.9730 4.9730 5.0162 5.0162 5.0624 5.0624 5.1742 5.1742 5.2224 5.2224 5.8717 5.8717 5.9104 5.9104 5.9906 5.9906 6.0402 6.0402 8.6248 8.6248 9.2386 9.2386 9.5782 9.5782 9.8991 9.8991 10.1393 10.1393 10.2022 10.2022 10.3614 10.3614 11.4907 11.4907 11.8797 11.8797 12.3803 12.3803 13.0333 13.0333 14.6888 14.6888 14.8254 14.8254 15.0298 15.0298 k = 0.0000 0.0000 0.2317 ( 3495 PWs) bands (ev): 2.2086 2.2086 2.8068 2.8068 2.8563 2.8563 2.8769 2.8769 3.1097 3.1097 3.1234 3.1234 3.1356 3.1356 3.1856 3.1856 3.2293 3.2293 4.4907 4.4907 4.5270 4.5270 4.8862 4.8862 4.9832 4.9832 5.0182 5.0182 5.0630 5.0630 5.1824 5.1824 5.2249 5.2249 5.9096 5.9096 5.9234 5.9234 6.0180 6.0180 6.0657 6.0657 8.7693 8.7693 9.2853 9.2853 9.5968 9.5968 9.9591 9.9591 10.1485 10.1485 10.2141 10.2141 10.4146 10.4146 11.4805 11.4805 11.8925 11.8925 12.3782 12.3782 12.9682 12.9682 14.5241 14.5241 14.7078 14.7078 14.8491 14.8491 k = 0.0000 0.0000 0.2152 ( 3491 PWs) bands (ev): 2.1762 2.1762 2.7984 2.7984 2.8421 2.8421 2.8699 2.8699 3.1018 3.1018 3.1132 3.1132 3.1314 3.1314 3.1764 3.1764 3.2036 3.2036 4.4899 4.4899 4.5208 4.5208 4.8842 4.8842 4.9929 4.9929 5.0204 5.0204 5.0635 5.0635 5.1904 5.1904 5.2274 5.2274 5.9344 5.9344 5.9475 5.9475 6.0445 6.0445 6.0899 6.0899 8.9058 8.9058 9.3330 9.3330 9.6151 9.6151 10.0211 10.0211 10.1581 10.1581 10.2288 10.2288 10.4699 10.4699 11.4702 11.4702 11.9048 11.9048 12.3785 12.3785 12.9102 12.9102 14.3560 14.3560 14.5930 14.5930 14.6735 14.6735 k = 0.0000 0.0000 0.1986 ( 3489 PWs) bands (ev): 2.1453 2.1453 2.7905 2.7905 2.8282 2.8282 2.8636 2.8636 3.0943 3.0943 3.1036 3.1036 3.1278 3.1278 3.1673 3.1673 3.1802 3.1802 4.4892 4.4892 4.5151 4.5151 4.8825 4.8825 5.0018 5.0018 5.0227 5.0227 5.0639 5.0639 5.1980 5.1980 5.2297 5.2297 5.9451 5.9451 5.9837 5.9837 6.0696 6.0696 6.1127 6.1127 9.0322 9.0322 9.3815 9.3815 9.6332 9.6332 10.0818 10.0818 10.1680 10.1680 10.2503 10.2503 10.5266 10.5266 11.4605 11.4605 11.9166 11.9166 12.3820 12.3820 12.8596 12.8596 14.1899 14.1899 14.4756 14.4756 14.5031 14.5031 k = 0.0000 0.0000 0.1821 ( 3481 PWs) bands (ev): 2.1162 2.1162 2.7832 2.7832 2.8151 2.8151 2.8577 2.8577 3.0870 3.0870 3.0947 3.0947 3.1247 3.1247 3.1563 3.1563 3.1611 3.1611 4.4886 4.4886 4.5101 4.5101 4.8809 4.8809 5.0099 5.0099 5.0250 5.0250 5.0644 5.0644 5.2052 5.2052 5.2320 5.2320 5.9548 5.9548 6.0187 6.0187 6.0932 6.0932 6.1340 6.1340 9.1462 9.1462 9.4306 9.4306 9.6510 9.6510 10.1335 10.1335 10.1783 10.1783 10.2866 10.2866 10.5841 10.5841 11.4524 11.4524 11.9275 11.9275 12.3894 12.3894 12.8167 12.8167 14.0277 14.0277 14.3381 14.3381 14.3544 14.3544 k = 0.0000 0.0000 0.1655 ( 3481 PWs) bands (ev): 2.0889 2.0889 2.7764 2.7764 2.8029 2.8029 2.8522 2.8522 3.0803 3.0803 3.0864 3.0864 3.1220 3.1220 3.1381 3.1381 3.1518 3.1518 4.4880 4.4880 4.5056 4.5056 4.8796 4.8796 5.0170 5.0170 5.0273 5.0273 5.0650 5.0650 5.2118 5.2118 5.2341 5.2341 5.9636 5.9636 6.0519 6.0519 6.1151 6.1151 6.1539 6.1539 9.2459 9.2459 9.4802 9.4802 9.6683 9.6683 10.1681 10.1681 10.1890 10.1890 10.3450 10.3450 10.6415 10.6415 11.4471 11.4471 11.9375 11.9375 12.4015 12.4015 12.7818 12.7818 13.8703 13.8703 14.1788 14.1788 14.2286 14.2286 k = 0.0000 0.0000 0.1490 ( 3481 PWs) bands (ev): 2.0638 2.0638 2.7702 2.7702 2.7917 2.7917 2.8470 2.8470 3.0740 3.0740 3.0789 3.0789 3.1197 3.1197 3.1206 3.1206 3.1443 3.1443 4.4874 4.4874 4.5016 4.5016 4.8784 4.8784 5.0231 5.0231 5.0295 5.0295 5.0660 5.0660 5.2180 5.2180 5.2361 5.2361 5.9715 5.9715 6.0830 6.0830 6.1352 6.1352 6.1721 6.1721 9.3305 9.3305 9.5297 9.5297 9.6850 9.6850 10.1882 10.1882 10.2001 10.2001 10.4218 10.4218 10.6976 10.6976 11.4468 11.4468 11.9464 11.9464 12.4190 12.4190 12.7552 12.7552 13.7185 13.7185 14.0255 14.0255 14.0987 14.0987 k = 0.0000 0.0000 0.1324 ( 3489 PWs) bands (ev): 2.0409 2.0409 2.7645 2.7645 2.7815 2.7815 2.8422 2.8422 3.0684 3.0684 3.0721 3.0721 3.1049 3.1049 3.1177 3.1177 3.1375 3.1375 4.4869 4.4869 4.4980 4.4980 4.8775 4.8775 5.0281 5.0281 5.0315 5.0315 5.0674 5.0674 5.2236 5.2236 5.2379 5.2379 5.9785 5.9785 6.1116 6.1116 6.1533 6.1533 6.1887 6.1887 9.4001 9.4001 9.5781 9.5781 9.7012 9.7012 10.2012 10.2012 10.2105 10.2105 10.5078 10.5078 10.7510 10.7510 11.4536 11.4536 11.9545 11.9545 12.4425 12.4425 12.7372 12.7372 13.5729 13.5729 13.8783 13.8783 13.9653 13.9653 k = 0.0000 0.0000 0.1159 ( 3491 PWs) bands (ev): 2.0205 2.0205 2.7595 2.7595 2.7725 2.7725 2.8378 2.8378 3.0633 3.0633 3.0661 3.0661 3.0911 3.0911 3.1160 3.1160 3.1313 3.1313 4.4865 4.4865 4.4949 4.4949 4.8767 4.8767 5.0320 5.0320 5.0335 5.0335 5.0691 5.0691 5.2286 5.2286 5.2396 5.2396 5.9848 5.9848 6.1374 6.1374 6.1694 6.1694 6.2038 6.2038 9.4562 9.4562 9.6238 9.6238 9.7167 9.7167 10.2115 10.2115 10.2194 10.2194 10.5955 10.5955 10.7998 10.7998 11.4706 11.4706 11.9619 11.9619 12.4725 12.4725 12.7283 12.7283 13.4343 13.4343 13.7375 13.7375 13.8295 13.8295 k = 0.0000 0.0000 0.0993 ( 3507 PWs) bands (ev): 2.0026 2.0026 2.7551 2.7551 2.7647 2.7647 2.8339 2.8339 3.0588 3.0588 3.0608 3.0608 3.0792 3.0792 3.1145 3.1145 3.1260 3.1260 4.4861 4.4861 4.4923 4.4923 4.8760 4.8760 5.0348 5.0348 5.0353 5.0353 5.0711 5.0711 5.2330 5.2330 5.2411 5.2411 5.9902 5.9902 6.1602 6.1602 6.1835 6.1835 6.2172 6.2172 9.5009 9.5009 9.6651 9.6651 9.7314 9.7314 10.2204 10.2204 10.2269 10.2269 10.6792 10.6792 10.8419 10.8419 11.5000 11.5000 11.9690 11.9690 12.5092 12.5092 12.7290 12.7290 13.3037 13.3037 13.6034 13.6034 13.6926 13.6926 k = 0.0000 0.0000 0.0828 ( 3507 PWs) bands (ev): 1.9872 1.9872 2.7513 2.7513 2.7580 2.7580 2.8306 2.8306 3.0550 3.0550 3.0564 3.0564 3.0691 3.0691 3.1133 3.1133 3.1214 3.1214 4.4858 4.4858 4.4900 4.4900 4.8755 4.8755 5.0366 5.0366 5.0370 5.0370 5.0732 5.0732 5.2368 5.2368 5.2424 5.2424 5.9948 5.9948 6.1795 6.1795 6.1954 6.1954 6.2289 6.2289 9.5361 9.5361 9.7009 9.7009 9.7451 9.7451 10.2283 10.2283 10.2332 10.2332 10.7545 10.7545 10.8756 10.8756 11.5424 11.5424 11.9762 11.9762 12.5529 12.5529 12.7402 12.7402 13.1824 13.1824 13.4764 13.4764 13.5567 13.5567 k = 0.0000 0.0000 0.0662 ( 3503 PWs) bands (ev): 1.9746 1.9746 2.7482 2.7482 2.7525 2.7525 2.8278 2.8278 3.0518 3.0518 3.0527 3.0527 3.0608 3.0608 3.1123 3.1123 3.1175 3.1175 4.4855 4.4855 4.4882 4.4882 4.8750 4.8750 5.0379 5.0379 5.0384 5.0384 5.0752 5.0752 5.2399 5.2399 5.2435 5.2435 5.9985 5.9985 6.1953 6.1953 6.2052 6.2052 6.2390 6.2390 9.5632 9.5632 9.7303 9.7303 9.7574 9.7574 10.2351 10.2351 10.2384 10.2384 10.8182 10.8182 10.9003 10.9003 11.5952 11.5952 11.9840 11.9840 12.6036 12.6036 12.7624 12.7624 13.0727 13.0727 13.3565 13.3565 13.4240 13.4240 k = 0.0000 0.0000 0.0497 ( 3503 PWs) bands (ev): 1.9647 1.9647 2.7458 2.7458 2.7482 2.7482 2.8256 2.8256 3.0494 3.0494 3.0499 3.0499 3.0544 3.0544 3.1116 3.1116 3.1145 3.1145 4.4853 4.4853 4.4868 4.4868 4.8747 4.8747 5.0389 5.0389 5.0393 5.0393 5.0769 5.0769 5.2423 5.2423 5.2443 5.2443 6.0015 6.0015 6.2075 6.2075 6.2129 6.2129 6.2471 6.2471 9.5833 9.5833 9.7532 9.7532 9.7678 9.7678 10.2406 10.2406 10.2425 10.2425 10.8686 10.8686 10.9170 10.9170 11.6518 11.6518 11.9926 11.9926 12.6612 12.6612 12.7960 12.7960 12.9782 12.9782 13.2443 13.2443 13.2978 13.2978 k = 0.0000 0.0000 0.0331 ( 3507 PWs) bands (ev): 1.9576 1.9576 2.7441 2.7441 2.7451 2.7451 2.8240 2.8240 3.0476 3.0476 3.0478 3.0478 3.0499 3.0499 3.1111 3.1111 3.1124 3.1124 4.4852 4.4852 4.4858 4.4858 4.8745 4.8745 5.0397 5.0397 5.0398 5.0398 5.0783 5.0783 5.2440 5.2440 5.2449 5.2449 6.0036 6.0036 6.2160 6.2160 6.2184 6.2184 6.2532 6.2532 9.5971 9.5971 9.7694 9.7694 9.7757 9.7757 10.2447 10.2447 10.2455 10.2455 10.9049 10.9049 10.9271 10.9271 11.7027 11.7027 12.0018 12.0018 12.7246 12.7246 12.8366 12.8366 12.9089 12.9089 13.1408 13.1408 13.1818 13.1818 k = 0.0000 0.0000 0.0166 ( 3511 PWs) bands (ev): 1.9533 1.9533 2.7430 2.7430 2.7433 2.7433 2.8230 2.8230 3.0466 3.0466 3.0466 3.0466 3.0471 3.0471 3.1108 3.1108 3.1111 3.1111 4.4851 4.4851 4.4853 4.4853 4.8744 4.8744 5.0401 5.0401 5.0402 5.0402 5.0791 5.0791 5.2451 5.2451 5.2453 5.2453 6.0048 6.0048 6.2211 6.2211 6.2216 6.2216 6.2570 6.2570 9.6051 9.6051 9.7791 9.7791 9.7806 9.7806 10.2471 10.2471 10.2474 10.2474 10.9267 10.9267 10.9324 10.9324 11.7380 11.7380 12.0097 12.0097 12.7879 12.7879 12.8366 12.8366 12.9183 12.9183 13.0522 13.0522 13.0800 13.0800 k = 0.0000 0.0000 0.0000 ( 3511 PWs) bands (ev): 1.9519 1.9519 2.7427 2.7427 2.7427 2.7427 2.8227 2.8227 3.0462 3.0462 3.0462 3.0462 3.0462 3.0462 3.1107 3.1107 3.1107 3.1107 4.4851 4.4851 4.4851 4.4851 4.8743 4.8743 5.0402 5.0402 5.0402 5.0402 5.0794 5.0794 5.2454 5.2454 5.2454 5.2454 6.0052 6.0052 6.2227 6.2227 6.2227 6.2227 6.2583 6.2583 9.6078 9.6078 9.7823 9.7823 9.7823 9.7823 10.2480 10.2480 10.2480 10.2480 10.9340 10.9340 10.9340 10.9340 11.7506 11.7506 12.0131 12.0131 12.8227 12.8227 12.8227 12.8227 12.9718 12.9718 13.0086 13.0086 13.0086 13.0086 k = 0.0000 0.0000 0.0000 ( 3511 PWs) bands (ev): 1.9519 1.9519 2.7427 2.7427 2.7427 2.7427 2.8227 2.8227 3.0462 3.0462 3.0462 3.0462 3.0462 3.0462 3.1107 3.1107 3.1107 3.1107 4.4851 4.4851 4.4851 4.4851 4.8743 4.8743 5.0402 5.0402 5.0402 5.0402 5.0794 5.0794 5.2454 5.2454 5.2454 5.2454 6.0052 6.0052 6.2227 6.2227 6.2227 6.2227 6.2583 6.2583 9.6078 9.6078 9.7823 9.7823 9.7823 9.7823 10.2480 10.2480 10.2480 10.2480 10.9340 10.9340 10.9340 10.9340 11.7506 11.7506 12.0131 12.0131 12.8227 12.8227 12.8227 12.8227 12.9718 12.9718 13.0086 13.0086 13.0086 13.0086 k = 0.0054 0.0077 0.0133 ( 3511 PWs) bands (ev): 1.9533 1.9533 2.7431 2.7431 2.7432 2.7432 2.8230 2.8230 3.0466 3.0466 3.0466 3.0466 3.0471 3.0471 3.1109 3.1109 3.1109 3.1109 4.4851 4.4851 4.4852 4.4852 4.8744 4.8744 5.0401 5.0401 5.0401 5.0401 5.0791 5.0791 5.2451 5.2451 5.2453 5.2453 6.0048 6.0048 6.2213 6.2213 6.2215 6.2215 6.2570 6.2570 9.6052 9.6052 9.7793 9.7793 9.7805 9.7805 10.2472 10.2472 10.2474 10.2474 10.9265 10.9265 10.9329 10.9329 11.7384 11.7384 12.0099 12.0099 12.7856 12.7856 12.8410 12.8410 12.9175 12.9175 13.0532 13.0532 13.0765 13.0765 k = 0.0109 0.0154 0.0266 ( 3505 PWs) bands (ev): 1.9575 1.9575 2.7444 2.7444 2.7447 2.7447 2.8239 2.8239 3.0478 3.0478 3.0478 3.0478 3.0495 3.0495 3.1117 3.1117 3.1117 3.1117 4.4853 4.4853 4.4857 4.4857 4.8745 4.8745 5.0398 5.0398 5.0398 5.0398 5.0783 5.0783 5.2442 5.2442 5.2448 5.2448 6.0036 6.0036 6.2170 6.2170 6.2177 6.2177 6.2533 6.2533 9.5975 9.5975 9.7704 9.7704 9.7752 9.7752 10.2448 10.2448 10.2456 10.2456 10.9035 10.9035 10.9294 10.9294 11.7039 11.7039 12.0026 12.0026 12.7181 12.7181 12.8488 12.8488 12.9081 12.9081 13.1431 13.1431 13.1697 13.1697 k = 0.0163 0.0231 0.0399 ( 3505 PWs) bands (ev): 1.9643 1.9643 2.7466 2.7466 2.7472 2.7472 2.8255 2.8255 3.0498 3.0498 3.0498 3.0498 3.0537 3.0537 3.1129 3.1129 3.1131 3.1131 4.4856 4.4856 4.4865 4.4865 4.8747 4.8747 5.0392 5.0392 5.0392 5.0392 5.0769 5.0769 5.2427 5.2427 5.2441 5.2441 6.0016 6.0016 6.2100 6.2100 6.2115 6.2115 6.2471 6.2471 9.5842 9.5842 9.7554 9.7554 9.7664 9.7664 10.2408 10.2408 10.2428 10.2428 10.8642 10.8642 10.9233 10.9233 11.6527 11.6527 11.9958 11.9958 12.6512 12.6512 12.8086 12.8086 12.9882 12.9882 13.2477 13.2477 13.2716 13.2716 k = 0.0217 0.0307 0.0532 ( 3505 PWs) bands (ev): 1.9740 1.9740 2.7496 2.7496 2.7506 2.7506 2.8277 2.8277 3.0525 3.0525 3.0526 3.0526 3.0595 3.0595 3.1147 3.1147 3.1149 3.1149 4.4860 4.4860 4.4876 4.4876 4.8750 4.8750 5.0384 5.0384 5.0384 5.0384 5.0750 5.0750 5.2406 5.2406 5.2430 5.2430 5.9987 5.9987 6.2001 6.2001 6.2029 6.2029 6.2384 6.2384 9.5652 9.5652 9.7342 9.7342 9.7544 9.7544 10.2356 10.2356 10.2390 10.2390 10.8082 10.8082 10.9140 10.9140 11.5913 11.5913 11.9934 11.9934 12.5927 12.5927 12.7800 12.7800 13.0904 13.0904 13.3593 13.3593 13.3798 13.3798 k = 0.0272 0.0384 0.0666 ( 3505 PWs) bands (ev): 1.9863 1.9863 2.7535 2.7535 2.7551 2.7551 2.8305 2.8305 3.0561 3.0561 3.0562 3.0562 3.0669 3.0669 3.1170 3.1170 3.1173 3.1173 4.4866 4.4866 4.4890 4.4890 4.8754 4.8754 5.0373 5.0373 5.0373 5.0373 5.0726 5.0726 5.2379 5.2379 5.2416 5.2416 5.9951 5.9951 6.1876 6.1876 6.1919 6.1919 6.2274 6.2274 9.5400 9.5400 9.7066 9.7066 9.7394 9.7394 10.2292 10.2292 10.2343 10.2343 10.7361 10.7361 10.9013 10.9013 11.5249 11.5249 11.9982 11.9982 12.5457 12.5457 12.7658 12.7658 13.2046 13.2046 13.4752 13.4752 13.4926 13.4926 k = 0.0326 0.0461 0.0799 ( 3505 PWs) bands (ev): 2.0012 2.0012 2.7583 2.7583 2.7605 2.7605 2.8339 2.8339 3.0603 3.0603 3.0605 3.0605 3.0761 3.0761 3.1197 3.1197 3.1202 3.1202 4.4873 4.4873 4.4907 4.4907 4.8758 4.8758 5.0360 5.0360 5.0361 5.0361 5.0696 5.0696 5.2346 5.2346 5.2399 5.2399 5.9906 5.9906 6.1725 6.1725 6.1787 6.1787 6.2142 6.2142 9.5084 9.5084 9.6724 9.6724 9.7212 9.7212 10.2219 10.2219 10.2289 10.2289 10.6501 10.6501 10.8849 10.8849 11.4562 11.4562 12.0124 12.0124 12.5115 12.5115 12.7655 12.7655 13.3258 13.3258 13.5940 13.5940 13.6087 13.6087 k = 0.0380 0.0538 0.0932 ( 3499 PWs) bands (ev): 2.0188 2.0188 2.7639 2.7639 2.7669 2.7669 2.8379 2.8379 3.0653 3.0653 3.0656 3.0656 3.0869 3.0869 3.1229 3.1229 3.1235 3.1235 4.4882 4.4882 4.4927 4.4927 4.8764 4.8764 5.0345 5.0345 5.0346 5.0346 5.0662 5.0662 5.2308 5.2308 5.2380 5.2380 5.9853 5.9853 6.1549 6.1549 6.1632 6.1632 6.1987 6.1987 9.4701 9.4701 9.6316 9.6316 9.6994 9.6994 10.2140 10.2140 10.2229 10.2229 10.5533 10.5533 10.8647 10.8647 11.3867 11.3867 12.0370 12.0370 12.4912 12.4912 12.7778 12.7778 13.4504 13.4504 13.7146 13.7146 13.7270 13.7270 k = 0.0435 0.0615 0.1065 ( 3502 PWs) bands (ev): 2.0388 2.0388 2.7703 2.7703 2.7743 2.7743 2.8425 2.8425 3.0710 3.0710 3.0714 3.0714 3.0994 3.0994 3.1267 3.1267 3.1274 3.1274 4.4893 4.4893 4.4950 4.4950 4.8770 4.8770 5.0327 5.0327 5.0330 5.0330 5.0623 5.0623 5.2264 5.2264 5.2357 5.2357 5.9792 5.9792 6.1349 6.1349 6.1457 6.1457 6.1813 6.1813 9.4251 9.4251 9.5840 9.5840 9.6732 9.6732 10.2055 10.2055 10.2164 10.2164 10.4500 10.4500 10.8411 10.8411 11.3173 11.3173 12.0722 12.0722 12.4848 12.4848 12.8014 12.8014 13.5759 13.5759 13.8361 13.8361 13.8465 13.8465 k = 0.0489 0.0692 0.1198 ( 3502 PWs) bands (ev): 2.0613 2.0613 2.7775 2.7775 2.7825 2.7825 2.8477 2.8477 3.0774 3.0774 3.0779 3.0779 3.1136 3.1136 3.1308 3.1308 3.1316 3.1316 4.4906 4.4906 4.4975 4.4975 4.8777 4.8777 5.0306 5.0306 5.0312 5.0312 5.0580 5.0580 5.2216 5.2216 5.2332 5.2332 5.9722 5.9722 6.1127 6.1127 6.1262 6.1262 6.1618 6.1618 9.3735 9.3735 9.5296 9.5296 9.6409 9.6409 10.1967 10.1967 10.2092 10.2092 10.3447 10.3447 10.8147 10.8147 11.2487 11.2487 12.1176 12.1176 12.4920 12.4920 12.8351 12.8351 13.7007 13.7007 13.9580 13.9580 13.9665 13.9665 k = 0.0543 0.0769 0.1331 ( 3496 PWs) bands (ev): 2.0861 2.0861 2.7855 2.7855 2.7917 2.7917 2.8535 2.8535 3.0845 3.0845 3.0851 3.0851 3.1296 3.1296 3.1355 3.1355 3.1364 3.1364 4.4921 4.4921 4.5002 4.5002 4.8785 4.8785 5.0283 5.0283 5.0293 5.0293 5.0533 5.0533 5.2162 5.2162 5.2304 5.2304 5.9645 5.9645 6.0884 6.0884 6.1048 6.1048 6.1407 6.1407 9.3154 9.3154 9.4685 9.4685 9.6002 9.6002 10.1878 10.1878 10.1998 10.1998 10.2440 10.2440 10.7863 10.7863 11.1817 11.1817 12.1723 12.1723 12.5123 12.5123 12.8777 12.8777 13.8231 13.8231 14.0796 14.0796 14.0863 14.0863 k = 0.0598 0.0845 0.1464 ( 3493 PWs) bands (ev): 2.1131 2.1131 2.7942 2.7942 2.8017 2.8017 2.8599 2.8599 3.0921 3.0921 3.0929 3.0929 3.1404 3.1404 3.1415 3.1415 3.1474 3.1474 4.4938 4.4938 4.5032 4.5032 4.8794 4.8794 5.0257 5.0257 5.0272 5.0272 5.0483 5.0483 5.2105 5.2105 5.2273 5.2273 5.9559 5.9559 6.0622 6.0622 6.0818 6.0818 6.1178 6.1178 9.2512 9.2512 9.4009 9.4009 9.5484 9.5484 10.1418 10.1418 10.1787 10.1787 10.1989 10.1989 10.7567 10.7567 11.1170 11.1170 12.2355 12.2355 12.5448 12.5448 12.9284 12.9284 13.9423 13.9423 14.2005 14.2005 14.2057 14.2057 k = 0.0652 0.0922 0.1597 ( 3493 PWs) bands (ev): 2.1423 2.1423 2.8037 2.8037 2.8125 2.8125 2.8669 2.8669 3.1003 3.1003 3.1013 3.1013 3.1460 3.1460 3.1470 3.1470 3.1669 3.1669 4.4958 4.4958 4.5063 4.5063 4.8803 4.8803 5.0226 5.0226 5.0250 5.0250 5.0432 5.0432 5.2043 5.2043 5.2240 5.2240 5.9465 5.9465 6.0341 6.0341 6.0571 6.0571 6.0935 6.0935 9.1811 9.1811 9.3271 9.3271 9.4824 9.4824 10.0592 10.0592 10.1697 10.1697 10.1901 10.1901 10.7267 10.7267 11.0552 11.0552 12.3063 12.3063 12.5883 12.5883 12.9864 12.9864 14.0573 14.0573 14.3203 14.3203 14.3242 14.3242 k = 0.0707 0.0999 0.1731 ( 3499 PWs) bands (ev): 2.1733 2.1733 2.8139 2.8139 2.8241 2.8241 2.8745 2.8745 3.1090 3.1090 3.1104 3.1104 3.1519 3.1519 3.1528 3.1528 3.1882 3.1882 4.4981 4.4981 4.5097 4.5097 4.8814 4.8814 5.0192 5.0192 5.0228 5.0228 5.0379 5.0379 5.1978 5.1978 5.2205 5.2205 5.9362 5.9362 6.0045 6.0045 6.0311 6.0311 6.0678 6.0678 9.1056 9.1056 9.2476 9.2476 9.4010 9.4010 9.9896 9.9896 10.1607 10.1607 10.1823 10.1823 10.6971 10.6971 10.9966 10.9966 12.3840 12.3840 12.6419 12.6419 13.0511 13.0511 14.1675 14.1675 14.4387 14.4387 14.4416 14.4416 k = 0.0761 0.1076 0.1864 ( 3505 PWs) bands (ev): 2.2062 2.2062 2.8247 2.8247 2.8365 2.8365 2.8827 2.8827 3.1182 3.1182 3.1199 3.1199 3.1582 3.1582 3.1590 3.1590 3.2115 3.2115 4.5008 4.5008 4.5132 4.5132 4.8825 4.8825 5.0151 5.0151 5.0205 5.0205 5.0327 5.0327 5.1910 5.1910 5.2167 5.2167 5.9251 5.9251 5.9734 5.9734 6.0038 6.0038 6.0410 6.0410 9.0252 9.0252 9.1629 9.1629 9.3050 9.3050 9.9343 9.9343 10.1519 10.1519 10.1748 10.1748 10.6682 10.6682 10.9416 10.9416 12.4678 12.4678 12.7045 12.7045 13.1219 13.1219 14.2725 14.2725 14.5553 14.5553 14.5576 14.5576 k = 0.0815 0.1153 0.1997 ( 3505 PWs) bands (ev): 2.2407 2.2407 2.8363 2.8363 2.8494 2.8494 2.8916 2.8916 3.1277 3.1277 3.1300 3.1300 3.1649 3.1649 3.1654 3.1654 3.2367 3.2367 4.5038 4.5038 4.5168 4.5168 4.8837 4.8837 5.0104 5.0104 5.0182 5.0182 5.0278 5.0278 5.1839 5.1839 5.2128 5.2128 5.9130 5.9130 5.9409 5.9409 5.9754 5.9754 6.0131 6.0131 8.9402 8.9402 9.0736 9.0736 9.1974 9.1974 9.8912 9.8912 10.1435 10.1435 10.1674 10.1674 10.6405 10.6405 10.8901 10.8901 12.5572 12.5572 12.7753 12.7753 13.1985 13.1985 14.3723 14.3723 14.6701 14.6701 14.6723 14.6723 k = 0.0870 0.1230 0.2130 ( 3502 PWs) bands (ev): 2.2765 2.2765 2.8484 2.8484 2.8629 2.8629 2.9012 2.9012 3.1376 3.1376 3.1405 3.1405 3.1720 3.1720 3.1721 3.1721 3.2639 3.2639 4.5071 4.5071 4.5206 4.5206 4.8849 4.8849 5.0048 5.0048 5.0158 5.0158 5.0233 5.0233 5.1767 5.1767 5.2086 5.2086 5.8998 5.8998 5.9074 5.9074 5.9462 5.9462 5.9845 5.9845 8.8510 8.8510 8.9804 8.9804 9.0818 9.0818 9.8578 9.8578 10.1353 10.1353 10.1602 10.1602 10.6142 10.6142 10.8423 10.8423 12.6517 12.6517 12.8535 12.8535 13.2805 13.2805 14.4668 14.4668 14.7829 14.7829 14.7853 14.7853 k = 0.0924 0.1307 0.2263 ( 3502 PWs) bands (ev): 2.3136 2.3136 2.8611 2.8611 2.8766 2.8766 2.9118 2.9118 3.1477 3.1477 3.1513 3.1513 3.1790 3.1790 3.1796 3.1796 3.2931 3.2931 4.5109 4.5109 4.5245 4.5245 4.8861 4.8861 4.9986 4.9986 5.0136 5.0136 5.0192 5.0192 5.1694 5.1694 5.2043 5.2043 5.8729 5.8729 5.8852 5.8852 5.9166 5.9166 5.9552 5.9552 8.7583 8.7583 8.8838 8.8838 8.9612 8.9612 9.8313 9.8313 10.1275 10.1275 10.1531 10.1531 10.5893 10.5893 10.7980 10.7980 12.7510 12.7510 12.9383 12.9383 13.3676 13.3676 14.5561 14.5561 14.8936 14.8936 14.8967 14.8967 k = 0.0978 0.1383 0.2396 ( 3493 PWs) bands (ev): 2.3515 2.3515 2.8743 2.8743 2.8905 2.8905 2.9233 2.9233 3.1579 3.1579 3.1626 3.1626 3.1861 3.1861 3.1875 3.1875 3.3245 3.3245 4.5151 4.5151 4.5286 4.5286 4.8874 4.8874 4.9919 4.9919 5.0114 5.0114 5.0155 5.0155 5.1621 5.1621 5.1998 5.1998 5.8377 5.8377 5.8679 5.8679 5.8879 5.8879 5.9258 5.9258 8.6623 8.6623 8.7845 8.7845 8.8381 8.8381 9.8103 9.8103 10.1201 10.1201 10.1463 10.1463 10.5658 10.5658 10.7569 10.7569 12.8546 12.8546 13.0291 13.0291 13.4594 13.4594 14.6406 14.6406 15.0022 15.0022 15.0063 15.0063 k = 0.1033 0.1460 0.2529 ( 3493 PWs) bands (ev): 2.3902 2.3902 2.8881 2.8881 2.9041 2.9041 2.9361 2.9361 3.1681 3.1681 3.1740 3.1740 3.1934 3.1934 3.1959 3.1959 3.3581 3.3581 4.5198 4.5198 4.5327 4.5327 4.8886 4.8886 4.9846 4.9846 5.0093 5.0093 5.0120 5.0120 5.1548 5.1548 5.1952 5.1952 5.8017 5.8017 5.8445 5.8445 5.8630 5.8630 5.8967 5.8967 8.5634 8.5634 8.6830 8.6830 8.7143 8.7143 9.7933 9.7933 10.1130 10.1130 10.1397 10.1397 10.5437 10.5437 10.7189 10.7189 12.9622 12.9622 13.1255 13.1255 13.5557 13.5557 14.7207 14.7207 15.1087 15.1087 15.1141 15.1141 k = 0.1087 0.1537 0.2662 ( 3487 PWs) bands (ev): 2.4292 2.4292 2.9023 2.9023 2.9175 2.9175 2.9502 2.9502 3.1783 3.1783 3.1856 3.1856 3.2008 3.2008 3.2047 3.2047 3.3940 3.3940 4.5250 4.5250 4.5370 4.5370 4.8897 4.8897 4.9771 4.9771 5.0073 5.0073 5.0088 5.0088 5.1477 5.1477 5.1905 5.1905 5.7654 5.7654 5.8150 5.8150 5.8411 5.8411 5.8693 5.8693 8.4617 8.4617 8.5799 8.5799 8.5915 8.5915 9.7795 9.7795 10.1065 10.1065 10.1335 10.1335 10.5228 10.5228 10.6836 10.6836 13.0736 13.0736 13.2269 13.2269 13.6563 13.6563 14.7969 14.7969 15.2133 15.2133 15.2202 15.2202 k = 0.1141 0.1614 0.2796 ( 3493 PWs) bands (ev): 2.4684 2.4684 2.9168 2.9168 2.9303 2.9303 2.9656 2.9656 3.1882 3.1882 3.1972 3.1972 3.2085 3.2085 3.2140 3.2140 3.4323 3.4323 4.5307 4.5307 4.5414 4.5414 4.8908 4.8908 4.9694 4.9694 5.0056 5.0056 5.0059 5.0059 5.1409 5.1409 5.1857 5.1857 5.7287 5.7287 5.7833 5.7833 5.8168 5.8168 5.8451 5.8451 8.3574 8.3574 8.4707 8.4707 8.4756 8.4756 9.7685 9.7685 10.1003 10.1003 10.1274 10.1274 10.5031 10.5031 10.6509 10.6509 13.1885 13.1885 13.3329 13.3329 13.7610 13.7610 14.8696 14.8696 15.3160 15.3160 15.3246 15.3246 k = 0.1196 0.1691 0.2929 ( 3484 PWs) bands (ev): 2.5073 2.5073 2.9318 2.9318 2.9428 2.9428 2.9822 2.9822 3.1979 3.1979 3.2084 3.2084 3.2168 3.2168 3.2237 3.2237 3.4730 3.4730 4.5370 4.5370 4.5459 4.5459 4.8917 4.8917 4.9616 4.9616 5.0032 5.0032 5.0040 5.0040 5.1345 5.1345 5.1808 5.1808 5.6919 5.6919 5.7508 5.7508 5.7890 5.7890 5.8245 5.8245 8.2506 8.2506 8.3530 8.3530 8.3707 8.3707 9.7600 9.7600 10.0947 10.0947 10.1218 10.1218 10.4844 10.4844 10.6205 10.6205 13.3067 13.3067 13.4433 13.4433 13.8694 13.8694 14.9394 14.9394 15.4171 15.4171 15.4275 15.4275 k = 0.1250 0.1768 0.3062 ( 3484 PWs) bands (ev): 2.5459 2.5459 2.9470 2.9470 2.9550 2.9550 2.9997 2.9997 3.2073 3.2073 3.2183 3.2183 3.2263 3.2263 3.2337 3.2337 3.5161 3.5161 4.5439 4.5439 4.5507 4.5507 4.8923 4.8923 4.9538 4.9538 5.0010 5.0010 5.0027 5.0027 5.1287 5.1287 5.1759 5.1759 5.6551 5.6551 5.7179 5.7179 5.7592 5.7592 5.8055 5.8055 8.1417 8.1417 8.2389 8.2389 8.2655 8.2655 9.7536 9.7536 10.0894 10.0894 10.1166 10.1166 10.4666 10.4666 10.5921 10.5921 13.4280 13.4280 13.5576 13.5576 13.9815 13.9815 15.0067 15.0067 15.5166 15.5166 15.5289 15.5289 k = 0.1304 0.1845 0.3195 ( 3484 PWs) bands (ev): 2.5837 2.5837 2.9624 2.9624 2.9671 2.9671 3.0179 3.0179 3.2163 3.2163 3.2268 3.2268 3.2372 3.2372 3.2440 3.2440 3.5615 3.5615 4.5513 4.5513 4.5557 4.5557 4.8926 4.8926 4.9461 4.9461 4.9991 4.9991 5.0017 5.0017 5.1235 5.1235 5.1710 5.1710 5.6184 5.6184 5.6849 5.6849 5.7286 5.7286 5.7872 5.7872 8.0313 8.0313 8.1285 8.1285 8.1603 8.1603 9.7494 9.7494 10.0847 10.0847 10.1117 10.1117 10.4496 10.4496 10.5654 10.5654 13.5521 13.5521 13.6756 13.6756 14.0970 14.0970 15.0721 15.0721 15.6149 15.6149 15.6291 15.6291 k = 0.1359 0.1921 0.3328 ( 3502 PWs) bands (ev): 2.6206 2.6206 2.9779 2.9779 2.9791 2.9791 3.0366 3.0366 3.2249 3.2249 3.2344 3.2344 3.2488 3.2488 3.2545 3.2545 3.6093 3.6093 4.5594 4.5594 4.5610 4.5610 4.8923 4.8923 4.9387 4.9387 4.9977 4.9977 5.0009 5.0009 5.1191 5.1191 5.1661 5.1661 5.5821 5.5821 5.6519 5.6519 5.6977 5.6977 5.7690 5.7690 7.9206 7.9206 8.0213 8.0213 8.0555 8.0555 9.7471 9.7471 10.0802 10.0802 10.1071 10.1071 10.4332 10.4332 10.5403 10.5403 13.6789 13.6789 13.7972 13.7972 14.2158 14.2158 15.1361 15.1361 15.7121 15.7121 15.7283 15.7283 k = 0.1413 0.1998 0.3461 ( 3499 PWs) bands (ev): 2.6563 2.6563 2.9911 2.9911 2.9936 2.9936 3.0555 3.0555 3.2333 3.2333 3.2416 3.2416 3.2606 3.2606 3.2650 3.2650 3.6592 3.6592 4.5667 4.5667 4.5682 4.5682 4.8912 4.8912 4.9319 4.9319 4.9968 4.9968 5.0005 5.0005 5.1158 5.1158 5.1612 5.1612 5.5464 5.5464 5.6191 5.6191 5.6668 5.6668 5.7510 5.7510 7.8106 7.8106 7.9171 7.9171 7.9514 7.9514 9.7469 9.7469 10.0763 10.0763 10.1031 10.1031 10.4174 10.4174 10.5165 10.5165 13.8082 13.8082 13.9220 13.9220 14.3375 14.3375 15.1990 15.1990 15.8085 15.8085 15.8267 15.8267 k = 0.1467 0.2075 0.3594 ( 3499 PWs) bands (ev): 2.6907 2.6907 3.0031 3.0031 3.0093 3.0093 3.0745 3.0745 3.2413 3.2413 3.2484 3.2484 3.2722 3.2722 3.2753 3.2753 3.7110 3.7110 4.5729 4.5729 4.5776 4.5776 4.8890 4.8890 4.9261 4.9261 4.9965 4.9965 5.0004 5.0004 5.1137 5.1137 5.1565 5.1565 5.5113 5.5113 5.5866 5.5866 5.6362 5.6362 5.7331 5.7331 7.7021 7.7021 7.8153 7.8153 7.8482 7.8482 9.7486 9.7486 10.0728 10.0728 10.0995 10.0995 10.4022 10.4022 10.4940 10.4940 13.9397 13.9397 14.0498 14.0498 14.4621 14.4621 15.2615 15.2615 15.9042 15.9042 15.9246 15.9246 k = 0.1522 0.2152 0.3727 ( 3502 PWs) bands (ev): 2.7236 2.7236 3.0150 3.0150 3.0249 3.0249 3.0933 3.0933 3.2491 3.2491 3.2550 3.2550 3.2837 3.2837 3.2855 3.2855 3.7644 3.7644 4.5797 4.5797 4.5876 4.5876 4.8854 4.8854 4.9215 4.9215 4.9967 4.9967 5.0006 5.0006 5.1130 5.1130 5.1518 5.1518 5.4771 5.4771 5.5546 5.5546 5.6058 5.6058 5.7155 5.7155 7.5958 7.5958 7.7157 7.7157 7.7461 7.7461 9.7523 9.7523 10.0697 10.0697 10.0963 10.0963 10.3873 10.3873 10.4726 10.4726 14.0733 14.0733 14.1804 14.1804 14.5892 14.5892 15.3240 15.3240 15.9996 15.9996 16.0222 16.0222 k = 0.1576 0.2229 0.3861 ( 3496 PWs) bands (ev): 2.7549 2.7549 3.0270 3.0270 3.0403 3.0403 3.1118 3.1118 3.2565 3.2565 3.2613 3.2613 3.2949 3.2949 3.2954 3.2954 3.8189 3.8189 4.5872 4.5872 4.5983 4.5983 4.8802 4.8802 4.9183 4.9183 4.9973 4.9973 5.0010 5.0010 5.1140 5.1140 5.1473 5.1473 5.4439 5.4439 5.5231 5.5231 5.5759 5.5759 5.6985 5.6985 7.4922 7.4922 7.6183 7.6183 7.6454 7.6454 9.7580 9.7580 10.0670 10.0670 10.0935 10.0935 10.3729 10.3729 10.4520 10.4520 14.2087 14.2087 14.3137 14.3137 14.7187 14.7187 15.3869 15.3869 16.0949 16.0949 16.1198 16.1198 k = 0.1630 0.2306 0.3994 ( 3490 PWs) bands (ev): 2.7845 2.7845 3.0389 3.0389 3.0555 3.0555 3.1298 3.1298 3.2635 3.2635 3.2674 3.2674 3.3049 3.3049 3.3057 3.3057 3.8739 3.8739 4.5957 4.5957 4.6096 4.6096 4.8736 4.8736 4.9164 4.9164 4.9983 4.9983 5.0017 5.0017 5.1170 5.1170 5.1429 5.1429 5.4121 5.4121 5.4924 5.4924 5.5466 5.5466 5.6824 5.6824 7.3917 7.3917 7.5231 7.5231 7.5463 7.5463 9.7656 9.7656 10.0647 10.0647 10.0913 10.0913 10.3588 10.3588 10.4322 10.4322 14.3456 14.3456 14.4495 14.4495 14.8502 14.8502 15.4507 15.4507 16.1904 16.1904 16.2176 16.2176 k = 0.1685 0.2383 0.4127 ( 3484 PWs) bands (ev): 2.8124 2.8124 3.0507 3.0507 3.0703 3.0703 3.1471 3.1471 3.2702 3.2702 3.2732 3.2732 3.3140 3.3140 3.3160 3.3160 3.9289 3.9289 4.6051 4.6051 4.6215 4.6215 4.8662 4.8662 4.9155 4.9155 4.9995 4.9995 5.0024 5.0024 5.1221 5.1221 5.1388 5.1388 5.3819 5.3819 5.4625 5.4625 5.5178 5.5178 5.6676 5.6676 7.2946 7.2946 7.4302 7.4302 7.4489 7.4489 9.7752 9.7752 10.0627 10.0627 10.0894 10.0894 10.3449 10.3449 10.4131 10.4131 14.4838 14.4838 14.5876 14.5876 14.9833 14.9833 15.5159 15.5159 16.2861 16.2861 16.3159 16.3159 k = 0.1739 0.2460 0.4260 ( 3496 PWs) bands (ev): 2.8385 2.8385 3.0624 3.0624 3.0847 3.0847 3.1634 3.1634 3.2766 3.2766 3.2787 3.2787 3.3226 3.3226 3.3258 3.3258 3.9830 3.9830 4.6157 4.6157 4.6340 4.6340 4.8581 4.8581 4.9152 4.9152 5.0006 5.0006 5.0030 5.0030 5.1295 5.1295 5.1351 5.1351 5.3535 5.3535 5.4338 5.4338 5.4897 5.4897 5.6549 5.6549 7.2010 7.2010 7.3396 7.3396 7.3534 7.3534 9.7864 9.7864 10.0608 10.0608 10.0879 10.0879 10.3313 10.3313 10.3945 10.3945 14.6229 14.6229 14.7277 14.7277 15.1176 15.1176 15.5831 15.5831 16.3823 16.3823 16.4149 16.4149 k = 0.1793 0.2536 0.4393 ( 3496 PWs) bands (ev): 2.8628 2.8628 3.0740 3.0740 3.0985 3.0985 3.1786 3.1786 3.2827 3.2827 3.2840 3.2840 3.3307 3.3307 3.3350 3.3350 4.0354 4.0354 4.6274 4.6274 4.6471 4.6471 4.8498 4.8498 4.9153 4.9153 5.0016 5.0016 5.0032 5.0032 5.1318 5.1318 5.1390 5.1390 5.3273 5.3273 5.4065 5.4065 5.4623 5.4623 5.6450 5.6450 7.1111 7.1111 7.2516 7.2516 7.2601 7.2601 9.7995 9.7995 10.0593 10.0593 10.0869 10.0869 10.3179 10.3179 10.3765 10.3765 14.7624 14.7624 14.8698 14.8698 15.2524 15.2524 15.6532 15.6532 16.4793 16.4793 16.5150 16.5150 k = 0.1848 0.2613 0.4526 ( 3499 PWs) bands (ev): 2.8854 2.8854 3.0854 3.0854 3.1116 3.1116 3.1923 3.1923 3.2885 3.2885 3.2891 3.2891 3.3382 3.3382 3.3436 3.3436 4.0854 4.0854 4.6402 4.6402 4.6606 4.6606 4.8414 4.8414 4.9157 4.9157 5.0022 5.0022 5.0027 5.0027 5.1292 5.1292 5.1502 5.1502 5.3036 5.3036 5.3810 5.3810 5.4359 5.4359 5.6392 5.6392 7.0251 7.0251 7.1663 7.1663 7.1690 7.1690 9.8143 9.8143 10.0578 10.0578 10.0862 10.0862 10.3047 10.3047 10.3588 10.3588 14.9019 14.9019 15.0136 15.0136 15.3869 15.3869 15.7271 15.7271 16.5772 16.5772 16.6164 16.6164 k = 0.1902 0.2690 0.4659 ( 3493 PWs) bands (ev): 2.9062 2.9062 3.0965 3.0965 3.1239 3.1239 3.2045 3.2045 3.2940 3.2940 3.2941 3.2941 3.3452 3.3452 3.3515 3.3515 4.1323 4.1323 4.6540 4.6540 4.6745 4.6745 4.8331 4.8331 4.9162 4.9162 5.0011 5.0011 5.0024 5.0024 5.1276 5.1276 5.1620 5.1620 5.2826 5.2826 5.3575 5.3575 5.4105 5.4105 5.6391 5.6391 6.9431 6.9431 7.0803 7.0803 7.0837 7.0837 9.8307 9.8307 10.0566 10.0566 10.0861 10.0861 10.2917 10.2917 10.3415 10.3415 15.0408 15.0408 15.1590 15.1590 15.5194 15.5194 15.8064 15.8064 16.6760 16.6760 16.7192 16.7192 k = 0.1957 0.2767 0.4792 ( 3496 PWs) bands (ev): 2.9253 2.9253 3.1073 3.1073 3.1353 3.1353 3.2149 3.2149 3.2987 3.2987 3.2996 3.2996 3.3515 3.3515 3.3586 3.3586 4.1754 4.1754 4.6684 4.6684 4.6886 4.6886 4.8250 4.8250 4.9168 4.9168 4.9979 4.9979 5.0019 5.0019 5.1274 5.1274 5.1726 5.1726 5.2646 5.2646 5.3367 5.3367 5.3865 5.3865 5.6467 5.6467 6.8652 6.8652 6.9943 6.9943 7.0042 7.0042 9.8486 9.8486 10.0554 10.0554 10.0864 10.0864 10.2790 10.2790 10.3246 10.3246 15.1782 15.1782 15.3056 15.3056 15.6478 15.6478 15.8931 15.8931 16.7759 16.7759 16.8237 16.8237 k = 0.2011 0.2844 0.4926 ( 3481 PWs) bands (ev): 2.9426 2.9426 3.1178 3.1178 3.1457 3.1457 3.2233 3.2233 3.3032 3.3032 3.3050 3.3050 3.3574 3.3574 3.3649 3.3649 4.2144 4.2144 4.6831 4.6831 4.7029 4.7029 4.8172 4.8172 4.9174 4.9174 4.9930 4.9930 5.0008 5.0008 5.1288 5.1288 5.1800 5.1800 5.2498 5.2498 5.3188 5.3188 5.3641 5.3641 5.6642 5.6642 6.7914 6.7914 6.9110 6.9110 6.9278 6.9278 9.8678 9.8678 10.0542 10.0542 10.0873 10.0873 10.2665 10.2665 10.3079 10.3079 15.3134 15.3134 15.4532 15.4532 15.7691 15.7691 15.9899 15.9899 16.8769 16.8769 16.9301 16.9301 k = 0.2065 0.2921 0.5059 ( 3481 PWs) bands (ev): 2.9581 2.9581 3.1279 3.1279 3.1549 3.1549 3.2297 3.2297 3.3076 3.3076 3.3103 3.3103 3.3626 3.3626 3.3704 3.3704 4.2492 4.2492 4.6976 4.6976 4.7171 4.7171 4.8099 4.8099 4.9180 4.9180 4.9863 4.9863 4.9988 4.9988 5.1323 5.1323 5.1826 5.1826 5.2381 5.2381 5.3039 5.3039 5.3436 5.3436 5.6938 5.6938 6.7220 6.7220 6.8306 6.8306 6.8548 6.8548 9.8881 9.8881 10.0529 10.0529 10.0888 10.0888 10.2542 10.2542 10.2914 10.2914 15.4452 15.4452 15.6014 15.6014 15.8810 15.8810 16.0984 16.0984 16.9789 16.9789 17.0381 17.0381 k = 0.2120 0.2998 0.5192 ( 3475 PWs) bands (ev): 2.9719 2.9719 3.1374 3.1374 3.1629 3.1629 3.2341 3.2341 3.3119 3.3119 3.3155 3.3155 3.3673 3.3673 3.3751 3.3751 4.2798 4.2798 4.7116 4.7116 4.7309 4.7309 4.8032 4.8032 4.9187 4.9187 4.9781 4.9781 4.9959 4.9959 5.1377 5.1377 5.1799 5.1799 5.2293 5.2293 5.2910 5.2910 5.3254 5.3254 5.7365 5.7365 6.6569 6.6569 6.7535 6.7535 6.7852 6.7852 9.9091 9.9091 10.0514 10.0514 10.0910 10.0910 10.2422 10.2422 10.2751 10.2751 15.5725 15.5725 15.7499 15.7499 15.9833 15.9833 16.2176 16.2176 17.0815 17.0815 17.1464 17.1464 k = 0.2174 0.3074 0.5325 ( 3481 PWs) bands (ev): 2.9839 2.9839 3.1464 3.1464 3.1695 3.1695 3.2367 3.2367 3.3160 3.3160 3.3203 3.3203 3.3714 3.3714 3.3788 3.3788 4.3063 4.3063 4.7245 4.7245 4.7441 4.7441 4.7973 4.7973 4.9192 4.9192 4.9692 4.9692 4.9919 4.9919 5.1452 5.1452 5.1734 5.1734 5.2231 5.2231 5.2789 5.2789 5.3094 5.3094 5.7927 5.7927 6.5963 6.5963 6.6796 6.6796 6.7194 6.7194 9.9305 9.9305 10.0495 10.0495 10.0941 10.0941 10.2305 10.2305 10.2589 10.2589 15.6941 15.6941 15.8981 15.8981 16.0772 16.0772 16.3436 16.3436 17.1839 17.1839 17.2253 17.2253 k = 0.2228 0.3151 0.5458 ( 3481 PWs) bands (ev): 2.9941 2.9941 3.1547 3.1547 3.1748 3.1748 3.2379 3.2379 3.3200 3.3200 3.3247 3.3247 3.3749 3.3749 3.3818 3.3818 4.3287 4.3287 4.7362 4.7362 4.7559 4.7559 4.7922 4.7922 4.9198 4.9198 4.9604 4.9604 4.9868 4.9868 5.1544 5.1544 5.1648 5.1648 5.2192 5.2192 5.2670 5.2670 5.2952 5.2952 5.8614 5.8614 6.5402 6.5402 6.6093 6.6093 6.6576 6.6576 9.9518 9.9518 10.0474 10.0474 10.0987 10.0987 10.2192 10.2192 10.2429 10.2429 15.8092 15.8092 16.0454 16.0454 16.1629 16.1629 16.4716 16.4716 17.2201 17.2201 17.2847 17.2847 k = 0.2283 0.3228 0.5591 ( 3481 PWs) bands (ev): 3.0025 3.0025 3.1622 3.1622 3.1787 3.1787 3.2378 3.2378 3.3237 3.3237 3.3284 3.3284 3.3780 3.3780 3.3839 3.3839 4.3472 4.3472 4.7464 4.7464 4.7659 4.7659 4.7881 4.7881 4.9204 4.9204 4.9528 4.9528 4.9806 4.9806 5.1560 5.1560 5.1654 5.1654 5.2172 5.2172 5.2556 5.2556 5.2815 5.2815 5.9411 5.9411 6.4887 6.4887 6.5429 6.5429 6.5999 6.5999 9.9722 9.9722 10.0447 10.0447 10.1053 10.1053 10.2083 10.2083 10.2270 10.2270 15.9167 15.9167 16.1907 16.1907 16.2383 16.2383 16.5962 16.5962 17.2175 17.2175 17.3805 17.3805 k = 0.2337 0.3305 0.5724 ( 3481 PWs) bands (ev): 3.0090 3.0090 3.1688 3.1688 3.1813 3.1813 3.2371 3.2371 3.3271 3.3271 3.3313 3.3313 3.3805 3.3805 3.3852 3.3852 4.3618 4.3618 4.7552 4.7552 4.7732 4.7732 4.7852 4.7852 4.9210 4.9210 4.9474 4.9474 4.9733 4.9733 5.1484 5.1484 5.1778 5.1778 5.2170 5.2170 5.2453 5.2453 5.2677 5.2677 6.0303 6.0303 6.4418 6.4418 6.4805 6.4805 6.5468 6.5468 9.9906 9.9906 10.0413 10.0413 10.1146 10.1146 10.1979 10.1979 10.2113 10.2113 16.0160 16.0160 16.2986 16.2986 16.3328 16.3328 16.7086 16.7086 17.2225 17.2225 17.3840 17.3840 k = 0.2391 0.3382 0.5857 ( 3487 PWs) bands (ev): 3.0137 3.0137 3.1744 3.1744 3.1825 3.1825 3.2360 3.2360 3.3299 3.3299 3.3332 3.3332 3.3825 3.3825 3.3858 3.3858 4.3723 4.3723 4.7627 4.7627 4.7772 4.7772 4.7834 4.7834 4.9216 4.9216 4.9450 4.9450 4.9653 4.9653 5.1427 5.1427 5.1916 5.1916 5.2181 5.2181 5.2365 5.2365 5.2534 5.2534 6.1271 6.1271 6.3996 6.3996 6.4224 6.4224 6.4988 6.4988 10.0062 10.0062 10.0372 10.0372 10.1276 10.1276 10.1881 10.1881 10.1957 10.1957 16.1054 16.1054 16.3385 16.3385 16.4692 16.4692 16.7880 16.7880 17.1974 17.1974 17.3300 17.3300 k = 0.2446 0.3459 0.5991 ( 3487 PWs) bands (ev): 3.0165 3.0165 3.1786 3.1786 3.1825 3.1825 3.2350 3.2350 3.3322 3.3322 3.3340 3.3340 3.3840 3.3840 3.3857 3.3857 4.3787 4.3787 4.7692 4.7692 4.7776 4.7776 4.7824 4.7824 4.9220 4.9220 4.9462 4.9462 4.9573 4.9573 5.1393 5.1393 5.2065 5.2065 5.2206 5.2206 5.2293 5.2293 5.2383 5.2383 6.2286 6.2286 6.3620 6.3620 6.3690 6.3690 6.4579 6.4579 10.0181 10.0181 10.0322 10.0322 10.1446 10.1446 10.1790 10.1790 10.1805 10.1805 16.1794 16.1794 16.3541 16.3541 16.5964 16.5964 16.7890 16.7890 17.1500 17.1500 17.3707 17.3707 k = 0.2500 0.3536 0.6124 ( 3544 PWs) bands (ev): 3.0174 3.0174 3.1812 3.1812 3.1812 3.1812 3.2346 3.2346 3.3336 3.3336 3.3336 3.3336 3.3851 3.3851 3.3851 3.3851 4.3808 4.3808 4.7746 4.7746 4.7746 4.7746 4.7819 4.7819 4.9222 4.9222 4.9505 4.9505 4.9505 4.9505 5.1383 5.1383 5.2221 5.2221 5.2221 5.2221 5.2244 5.2244 5.2244 5.2244 6.3205 6.3205 6.3205 6.3205 6.3321 6.3321 6.4345 6.4345 10.0260 10.0260 10.0260 10.0260 10.1604 10.1604 10.1703 10.1703 10.1703 10.1703 16.2160 16.2160 16.3522 16.3522 16.7068 16.7068 16.7068 16.7068 17.1455 17.1455 17.4532 17.4532 k = 0.2500 0.3536 0.6124 ( 3544 PWs) bands (ev): 3.0174 3.0174 3.1812 3.1812 3.1812 3.1812 3.2346 3.2346 3.3336 3.3336 3.3336 3.3336 3.3851 3.3851 3.3851 3.3851 4.3808 4.3808 4.7746 4.7746 4.7746 4.7746 4.7819 4.7819 4.9222 4.9222 4.9505 4.9505 4.9505 4.9505 5.1383 5.1383 5.2221 5.2221 5.2221 5.2221 5.2244 5.2244 5.2244 5.2244 6.3205 6.3205 6.3205 6.3205 6.3321 6.3321 6.4345 6.4345 10.0260 10.0260 10.0260 10.0260 10.1604 10.1604 10.1703 10.1703 10.1703 10.1703 16.2160 16.2160 16.3522 16.3522 16.7068 16.7068 16.7068 16.7068 17.1455 17.1455 17.4532 17.4532 k = 0.2554 0.3382 0.6124 ( 3499 PWs) bands (ev): 3.0165 3.0165 3.1788 3.1788 3.1822 3.1822 3.2351 3.2351 3.3321 3.3321 3.3340 3.3340 3.3841 3.3841 3.3857 3.3857 4.3788 4.3788 4.7689 4.7689 4.7769 4.7769 4.7833 4.7833 4.9221 4.9221 4.9462 4.9462 4.9573 4.9573 5.1391 5.1391 5.2061 5.2061 5.2208 5.2208 5.2285 5.2285 5.2395 5.2395 6.2772 6.2772 6.2995 6.2995 6.3524 6.3524 6.4882 6.4882 10.0192 10.0192 10.0312 10.0312 10.1490 10.1490 10.1627 10.1627 10.1920 10.1920 16.1627 16.1627 16.3625 16.3625 16.6175 16.6175 16.7848 16.7848 17.1309 17.1309 17.3421 17.3421 k = 0.2609 0.3228 0.6124 ( 3499 PWs) bands (ev): 3.0139 3.0139 3.1754 3.1754 3.1816 3.1816 3.2365 3.2365 3.3293 3.3293 3.3333 3.3333 3.3828 3.3828 3.3859 3.3859 4.3726 4.3726 4.7613 4.7613 4.7748 4.7748 4.7870 4.7870 4.9227 4.9227 4.9452 4.9452 4.9654 4.9654 5.1410 5.1410 5.1895 5.1895 5.2196 5.2196 5.2342 5.2342 5.2571 5.2571 6.2395 6.2395 6.2748 6.2748 6.3333 6.3333 6.5991 6.5991 10.0112 10.0112 10.0333 10.0333 10.1348 10.1348 10.1557 10.1557 10.2191 10.2191 16.0232 16.0232 16.3667 16.3667 16.5623 16.5623 16.7940 16.7940 17.0812 17.0812 17.2447 17.2447 k = 0.2663 0.3074 0.6124 ( 3499 PWs) bands (ev): 3.0097 3.0097 3.1710 3.1710 3.1795 3.1795 3.2387 3.2387 3.3254 3.3254 3.3312 3.3312 3.3813 3.3813 3.3855 3.3855 4.3628 4.3628 4.7525 4.7525 4.7698 4.7698 4.7900 4.7900 4.9253 4.9253 4.9475 4.9475 4.9738 4.9738 5.1421 5.1421 5.1741 5.1741 5.2210 5.2210 5.2411 5.2411 5.2756 5.2756 6.2076 6.2076 6.2535 6.2535 6.3124 6.3124 6.7212 6.7212 10.0021 10.0021 10.0330 10.0330 10.1212 10.1212 10.1492 10.1492 10.2485 10.2485 15.8390 15.8390 16.3330 16.3330 16.5292 16.5292 16.6998 16.6998 17.0224 17.0224 17.2099 17.2099 k = 0.2717 0.2921 0.6124 ( 3499 PWs) bands (ev): 3.0042 3.0042 3.1656 3.1656 3.1763 3.1763 3.2414 3.2414 3.3204 3.3204 3.3277 3.3277 3.3797 3.3797 3.3847 3.3847 4.3496 4.3496 4.7431 4.7431 4.7624 4.7624 4.7915 4.7915 4.9298 4.9298 4.9540 4.9540 4.9816 4.9816 5.1376 5.1376 5.1640 5.1640 5.2253 5.2253 5.2492 5.2492 5.2946 5.2946 6.1816 6.1816 6.2353 6.2353 6.2960 6.2960 6.8482 6.8482 9.9920 9.9920 10.0302 10.0302 10.1087 10.1087 10.1433 10.1433 10.2795 10.2795 15.6341 15.6341 16.2557 16.2557 16.4901 16.4901 16.5332 16.5332 16.9907 16.9907 17.2135 17.2135 k = 0.2772 0.2767 0.6124 ( 3508 PWs) bands (ev): 2.9974 2.9974 3.1595 3.1595 3.1722 3.1722 3.2444 3.2444 3.3144 3.3144 3.3228 3.3228 3.3780 3.3780 3.3834 3.3834 4.3337 4.3337 4.7335 4.7335 4.7528 4.7528 4.7915 4.7915 4.9340 4.9340 4.9662 4.9662 4.9879 4.9879 5.1240 5.1240 5.1627 5.1627 5.2327 5.2327 5.2590 5.2590 5.3143 5.3143 6.1619 6.1619 6.2199 6.2199 6.2851 6.2851 6.9783 6.9783 9.9810 9.9810 10.0249 10.0249 10.0975 10.0975 10.1377 10.1377 10.3119 10.3119 15.4196 15.4196 16.1348 16.1348 16.3367 16.3367 16.4418 16.4418 16.9954 16.9954 17.2194 17.2194 k = 0.2826 0.2613 0.6124 ( 3508 PWs) bands (ev): 2.9897 2.9897 3.1525 3.1525 3.1674 3.1674 3.2475 3.2475 3.3075 3.3075 3.3167 3.3167 3.3761 3.3761 3.3815 3.3815 4.3154 4.3154 4.7240 4.7240 4.7414 4.7414 4.7904 4.7904 4.9367 4.9367 4.9844 4.9844 4.9922 4.9922 5.1065 5.1065 5.1652 5.1652 5.2431 5.2431 5.2705 5.2705 5.3346 5.3346 6.1483 6.1483 6.2073 6.2073 6.2798 6.2798 7.1107 7.1107 9.9692 9.9692 10.0170 10.0170 10.0879 10.0879 10.1323 10.1323 10.3456 10.3456 15.2007 15.2007 15.9785 15.9785 16.1286 16.1286 16.3936 16.3936 17.0235 17.0235 17.2168 17.2168 k = 0.2880 0.2460 0.6124 ( 3502 PWs) bands (ev): 2.9813 2.9813 3.1449 3.1449 3.1620 3.1620 3.2505 3.2505 3.2997 3.2997 3.3093 3.3093 3.3739 3.3739 3.3791 3.3791 4.2953 4.2953 4.7147 4.7147 4.7290 4.7290 4.7883 4.7883 4.9378 4.9378 4.9941 4.9941 5.0073 5.0073 5.0881 5.0881 5.1695 5.1695 5.2560 5.2560 5.2839 5.2839 5.3554 5.3554 6.1409 6.1409 6.1976 6.1976 6.2799 6.2799 7.2446 7.2446 9.9566 9.9566 10.0066 10.0066 10.0800 10.0800 10.1271 10.1271 10.3807 10.3807 14.9800 14.9800 15.8000 15.8000 15.9159 15.9159 16.3484 16.3484 17.0617 17.0617 17.2058 17.2058 k = 0.2935 0.2306 0.6124 ( 3502 PWs) bands (ev): 2.9722 2.9722 3.1366 3.1366 3.1561 3.1561 3.2532 3.2532 3.2913 3.2913 3.3009 3.3009 3.3713 3.3713 3.3761 3.3761 4.2739 4.2739 4.7058 4.7058 4.7161 4.7161 4.7854 4.7854 4.9372 4.9372 4.9936 4.9936 5.0335 5.0335 5.0697 5.0697 5.1752 5.1752 5.2711 5.2711 5.2991 5.2991 5.3768 5.3768 6.1396 6.1396 6.1909 6.1909 6.2850 6.2850 7.3794 7.3794 9.9435 9.9435 9.9941 9.9941 10.0732 10.0732 10.1218 10.1218 10.4170 10.4170 14.7592 14.7592 15.6092 15.6092 15.7018 15.7018 16.3056 16.3056 17.1023 17.1023 17.1887 17.1887 k = 0.2989 0.2152 0.6124 ( 3508 PWs) bands (ev): 2.9628 2.9628 3.1277 3.1277 3.1497 3.1497 3.2554 3.2554 3.2824 3.2824 3.2916 3.2916 3.3683 3.3683 3.3726 3.3726 4.2514 4.2514 4.6974 4.6974 4.7032 4.7032 4.7819 4.7819 4.9349 4.9349 4.9906 4.9906 5.0512 5.0512 5.0630 5.0630 5.1828 5.1828 5.2878 5.2878 5.3161 5.3161 5.3987 5.3987 6.1440 6.1440 6.1872 6.1872 6.2947 6.2947 7.5144 7.5144 9.9297 9.9297 9.9799 9.9799 10.0671 10.0671 10.1163 10.1163 10.4548 10.4548 14.5394 14.5394 15.4121 15.4121 15.4879 15.4879 16.2646 16.2646 17.1417 17.1417 17.1680 17.1680 k = 0.3043 0.1998 0.6124 ( 3502 PWs) bands (ev): 2.9533 2.9533 3.1183 3.1183 3.1429 3.1429 3.2563 3.2563 3.2739 3.2739 3.2814 3.2814 3.3649 3.3649 3.3684 3.3684 4.2284 4.2284 4.6894 4.6894 4.6906 4.6906 4.7777 4.7777 4.9305 4.9305 4.9855 4.9855 5.0351 5.0351 5.0927 5.0927 5.1928 5.1928 5.3059 5.3059 5.3346 5.3346 5.4213 5.4213 6.1540 6.1540 6.1865 6.1865 6.3085 6.3085 7.6489 7.6489 9.9155 9.9155 9.9645 9.9645 10.0615 10.0615 10.1106 10.1106 10.4942 10.4942 14.3213 14.3213 15.2120 15.2120 15.2752 15.2752 16.2248 16.2248 17.1453 17.1453 17.1786 17.1786 k = 0.3098 0.1845 0.6124 ( 3496 PWs) bands (ev): 2.9436 2.9436 3.1084 3.1084 3.1357 3.1357 3.2536 3.2536 3.2679 3.2679 3.2706 3.2706 3.3609 3.3609 3.3638 3.3638 4.2051 4.2051 4.6786 4.6786 4.6820 4.6820 4.7729 4.7729 4.9239 4.9239 4.9786 4.9786 5.0202 5.0202 5.1233 5.1233 5.2057 5.2057 5.3252 5.3252 5.3543 5.3543 5.4445 5.4445 6.1692 6.1692 6.1887 6.1887 6.3263 6.3263 7.7824 7.7824 9.9009 9.9009 9.9483 9.9483 10.0557 10.0557 10.1044 10.1044 10.5356 10.5356 14.1056 14.1056 15.0109 15.0109 15.0643 15.0643 16.1861 16.1861 17.1218 17.1218 17.2127 17.2127 k = 0.3152 0.1691 0.6124 ( 3502 PWs) bands (ev): 2.9341 2.9341 3.0980 3.0980 3.1281 3.1281 3.2457 3.2457 3.2591 3.2591 3.2663 3.2663 3.3563 3.3563 3.3585 3.3585 4.1819 4.1819 4.6673 4.6673 4.6750 4.6750 4.7674 4.7674 4.9154 4.9154 4.9705 4.9705 5.0072 5.0072 5.1534 5.1534 5.2223 5.2223 5.3454 5.3454 5.3749 5.3749 5.4685 5.4685 6.1893 6.1893 6.1938 6.1938 6.3477 6.3477 7.9139 7.9139 9.8858 9.8858 9.9314 9.9314 10.0497 10.0497 10.0976 10.0976 10.5790 10.5790 13.8929 13.8929 14.8101 14.8101 14.8555 14.8555 16.1483 16.1483 17.0984 17.0984 17.2440 17.2440 k = 0.3207 0.1537 0.6124 ( 3508 PWs) bands (ev): 2.9247 2.9247 3.0873 3.0873 3.1202 3.1202 3.2353 3.2353 3.2472 3.2472 3.2663 3.2663 3.3513 3.3513 3.3527 3.3527 4.1591 4.1591 4.6568 4.6568 4.6686 4.6686 4.7611 4.7611 4.9052 4.9052 4.9616 4.9616 4.9962 4.9962 5.1816 5.1816 5.2435 5.2435 5.3665 5.3665 5.3959 5.3959 5.4933 5.4933 6.2015 6.2015 6.2138 6.2138 6.3726 6.3726 8.0428 8.0428 9.8705 9.8705 9.9139 9.9139 10.0431 10.0431 10.0902 10.0902 10.6247 10.6247 13.6838 13.6838 14.6106 14.6106 14.6494 14.6494 16.1114 16.1114 17.0754 17.0754 17.2731 17.2731 k = 0.3261 0.1383 0.6124 ( 3508 PWs) bands (ev): 2.9155 2.9155 3.0762 3.0762 3.1120 3.1120 3.2239 3.2239 3.2348 3.2348 3.2664 3.2664 3.3457 3.3457 3.3464 3.3464 4.1369 4.1369 4.6472 4.6472 4.6626 4.6626 4.7540 4.7540 4.8941 4.8941 4.9522 4.9522 4.9869 4.9869 5.2069 5.2069 5.2696 5.2696 5.3885 5.3885 5.4172 5.4172 5.5190 5.5190 6.2118 6.2118 6.2424 6.2424 6.4006 6.4006 8.1682 8.1682 9.8549 9.8549 9.8961 9.8961 10.0360 10.0360 10.0821 10.0821 10.6727 10.6727 13.4791 13.4791 14.4128 14.4128 14.4460 14.4460 16.0755 16.0755 17.0534 17.0534 17.3006 17.3006 k = 0.3315 0.1230 0.6124 ( 3514 PWs) bands (ev): 2.9067 2.9067 3.0647 3.0647 3.1036 3.1036 3.2120 3.2120 3.2221 3.2221 3.2661 3.2661 3.3395 3.3395 3.3397 3.3397 4.1156 4.1156 4.6385 4.6385 4.6571 4.6571 4.7460 4.7460 4.8827 4.8827 4.9428 4.9428 4.9790 4.9790 5.2297 5.2297 5.2997 5.2997 5.4114 5.4114 5.4384 5.4384 5.5455 5.5455 6.2245 6.2245 6.2749 6.2749 6.4316 6.4316 8.2893 8.2893 9.8390 9.8390 9.8778 9.8778 10.0281 10.0281 10.0732 10.0732 10.7232 10.7232 13.2796 13.2796 14.2174 14.2174 14.2456 14.2456 16.0406 16.0406 17.0326 17.0326 17.3271 17.3271 k = 0.3370 0.1076 0.6124 ( 3508 PWs) bands (ev): 2.8983 2.8983 3.0531 3.0531 3.0950 3.0950 3.1999 3.1999 3.2091 3.2091 3.2652 3.2652 3.3324 3.3324 3.3329 3.3329 4.0954 4.0954 4.6306 4.6306 4.6520 4.6520 4.7372 4.7372 4.8717 4.8717 4.9337 4.9337 4.9725 4.9725 5.2513 5.2513 5.3319 5.3319 5.4354 5.4354 5.4593 5.4593 5.5729 5.5729 6.2395 6.2395 6.3109 6.3109 6.4655 6.4655 8.4051 8.4051 9.8230 9.8230 9.8593 9.8593 10.0195 10.0195 10.0634 10.0634 10.7756 10.7756 13.0867 13.0867 14.0247 14.0247 14.0485 14.0485 16.0066 16.0066 17.0131 17.0131 17.3527 17.3527 k = 0.3424 0.0922 0.6124 ( 3514 PWs) bands (ev): 2.8903 2.8903 3.0412 3.0412 3.0863 3.0863 3.1875 3.1875 3.1960 3.1960 3.2636 3.2636 3.3248 3.3248 3.3259 3.3259 4.0765 4.0765 4.6236 4.6236 4.6473 4.6473 4.7274 4.7274 4.8616 4.8616 4.9252 4.9252 4.9670 4.9670 5.2724 5.2724 5.3647 5.3647 5.4609 5.4609 5.4799 5.4799 5.6011 5.6011 6.2567 6.2567 6.3502 6.3502 6.5021 6.5021 8.5148 8.5148 9.8068 9.8068 9.8405 9.8405 10.0099 10.0099 10.0525 10.0525 10.8292 10.8292 12.9021 12.9021 13.8349 13.8349 13.8548 13.8548 15.9736 15.9736 16.9951 16.9951 17.3778 17.3778 k = 0.3478 0.0769 0.6124 ( 3514 PWs) bands (ev): 2.8827 2.8827 3.0292 3.0292 3.0774 3.0774 3.1751 3.1751 3.1827 3.1827 3.2613 3.2613 3.3167 3.3167 3.3184 3.3184 4.0591 4.0591 4.6173 4.6173 4.6431 4.6431 4.7169 4.7169 4.8528 4.8528 4.9173 4.9173 4.9625 4.9625 5.2934 5.2934 5.3968 5.3968 5.4882 5.4882 5.4999 5.4999 5.6299 5.6299 6.2759 6.2759 6.3925 6.3925 6.5414 6.5414 8.6177 8.6177 9.7905 9.7905 9.8216 9.8216 9.9992 9.9992 10.0405 10.0405 10.8822 10.8822 12.7283 12.7283 13.6485 13.6485 13.6647 13.6647 15.9416 15.9416 16.9787 16.9787 17.4028 17.4028 k = 0.3533 0.0615 0.6124 ( 3514 PWs) bands (ev): 2.8755 2.8755 3.0170 3.0170 3.0685 3.0685 3.1627 3.1627 3.1695 3.1695 3.2583 3.2583 3.3083 3.3083 3.3105 3.3105 4.0433 4.0433 4.6116 4.6116 4.6392 4.6392 4.7059 4.7059 4.8452 4.8452 4.9103 4.9103 4.9589 4.9589 5.3146 5.3146 5.4273 5.4273 5.5177 5.5177 5.5193 5.5193 5.6594 5.6594 6.2970 6.2970 6.4377 6.4377 6.5831 6.5831 8.7131 8.7131 9.7741 9.7741 9.8024 9.8024 9.9874 9.9874 10.0273 10.0273 10.9313 10.9313 12.5690 12.5690 13.4656 13.4656 13.4784 13.4784 15.9107 15.9107 16.9639 16.9639 17.4278 17.4278 k = 0.3587 0.0461 0.6124 ( 3514 PWs) bands (ev): 2.8687 2.8687 3.0047 3.0047 3.0595 3.0595 3.1502 3.1502 3.1562 3.1562 3.2544 3.2544 3.2996 3.2996 3.3023 3.3023 4.0291 4.0291 4.6065 4.6065 4.6357 4.6357 4.6946 4.6946 4.8391 4.8391 4.9043 4.9043 4.9561 4.9561 5.3359 5.3359 5.4556 5.4556 5.5382 5.5382 5.5496 5.5496 5.6893 5.6893 6.3201 6.3201 6.4856 6.4856 6.6273 6.6273 8.8004 8.8004 9.7576 9.7576 9.7832 9.7832 9.9743 9.9743 10.0126 10.0126 10.9716 10.9716 12.4300 12.4300 13.2867 13.2867 13.2961 13.2961 15.8809 15.8809 16.9507 16.9507 17.4529 17.4529 k = 0.3641 0.0307 0.6124 ( 3508 PWs) bands (ev): 2.8624 2.8624 2.9924 2.9924 3.0506 3.0506 3.1379 3.1379 3.1431 3.1431 3.2498 3.2498 3.2906 3.2906 3.2938 3.2938 4.0168 4.0168 4.6018 4.6018 4.6326 4.6326 4.6834 4.6834 4.8344 4.8344 4.8993 4.8993 4.9541 4.9541 5.3574 5.3574 5.4817 5.4817 5.5564 5.5564 5.5836 5.5836 5.7195 5.7195 6.3449 6.3449 6.5361 6.5361 6.6738 6.6738 8.8793 8.8793 9.7412 9.7412 9.7638 9.7638 9.9597 9.9597 9.9965 9.9965 10.9955 10.9955 12.3189 12.3189 13.1121 13.1121 13.1180 13.1180 15.8522 15.8522 16.9391 16.9391 17.4781 17.4781 k = 0.3696 0.0154 0.6124 ( 3508 PWs) bands (ev): 2.8564 2.8564 2.9800 2.9800 3.0417 3.0417 3.1257 3.1257 3.1302 3.1302 3.2444 3.2444 3.2815 3.2815 3.2850 3.2850 4.0062 4.0062 4.5974 4.5974 4.6298 4.6298 4.6726 4.6726 4.8310 4.8310 4.8953 4.8953 4.9530 4.9530 5.3789 5.3789 5.5058 5.5058 5.5741 5.5741 5.6193 5.6193 5.7498 5.7498 6.3715 6.3715 6.5890 6.5890 6.7226 6.7226 8.9497 8.9497 9.7248 9.7248 9.7444 9.7444 9.9435 9.9436 9.9786 9.9786 10.9938 10.9938 12.2449 12.2449 12.9422 12.9422 12.9444 12.9444 15.8246 15.8246 16.9291 16.9291 17.5033 17.5033 k = 0.3750-0.0000 0.6124 ( 3517 PWs) bands (ev): 2.8509 2.8509 2.9678 2.9678 3.0329 3.0329 3.1137 3.1137 3.1174 3.1174 3.2382 3.2382 3.2722 3.2722 3.2761 3.2761 3.9974 3.9974 4.5929 4.5929 4.6274 4.6274 4.6625 4.6625 4.8289 4.8289 4.8923 4.8923 4.9525 4.9525 5.4003 5.4003 5.5282 5.5282 5.5911 5.5911 5.6560 5.6560 5.7802 5.7802 6.3998 6.3998 6.6442 6.6442 6.7737 6.7737 9.0116 9.0116 9.7083 9.7083 9.7248 9.7248 9.9255 9.9255 9.9586 9.9586 10.9595 10.9595 12.2146 12.2146 12.7756 12.7756 12.7780 12.7780 15.7981 15.7981 16.9206 16.9206 17.5284 17.5284 k = 0.3804-0.0154 0.6124 ( 3511 PWs) bands (ev): 2.8457 2.8457 2.9555 2.9555 3.0243 3.0243 3.1019 3.1019 3.1050 3.1050 3.2312 3.2312 3.2629 3.2629 3.2671 3.2671 3.9904 3.9904 4.5883 4.5883 4.6253 4.6253 4.6534 4.6534 4.8279 4.8279 4.8903 4.8903 4.9527 4.9527 5.4217 5.4217 5.5494 5.5494 5.6074 5.6074 5.6933 5.6933 5.8104 5.8104 6.4298 6.4298 6.7017 6.7017 6.8269 6.8269 9.0652 9.0652 9.6921 9.6921 9.7053 9.7053 9.9056 9.9056 9.9367 9.9367 10.8913 10.8913 12.2272 12.2272 12.6118 12.6118 12.6215 12.6215 15.7728 15.7728 16.9137 16.9137 17.5532 17.5532 k = 0.3859-0.0307 0.6124 ( 3511 PWs) bands (ev): 2.8409 2.8409 2.9434 2.9434 3.0158 3.0158 3.0904 3.0904 3.0929 3.0929 3.2236 3.2236 3.2536 3.2536 3.2580 3.2580 3.9850 3.9850 4.5834 4.5834 4.6235 4.6235 4.6457 4.6457 4.8281 4.8281 4.8892 4.8892 4.9536 4.9536 5.4428 5.4428 5.5694 5.5694 5.6232 5.6232 5.7307 5.7307 5.8403 5.8403 6.4615 6.4615 6.7614 6.7614 6.8823 6.8823 9.1107 9.1107 9.6759 9.6759 9.6858 9.6858 9.8834 9.8834 9.9124 9.9124 10.7948 10.7948 12.2675 12.2675 12.4534 12.4534 12.4823 12.4823 15.7486 15.7486 16.9081 16.9081 17.5774 17.5774 k = 0.3913-0.0461 0.6124 ( 3505 PWs) bands (ev): 2.8363 2.8363 2.9315 2.9315 3.0075 3.0075 3.0792 3.0792 3.0811 3.0811 3.2154 3.2154 3.2443 3.2443 3.2489 3.2489 3.9811 3.9811 4.5780 4.5780 4.6221 4.6221 4.6393 4.6393 4.8294 4.8294 4.8889 4.8889 4.9550 4.9550 5.4637 5.4637 5.5885 5.5885 5.6382 5.6382 5.7680 5.7680 5.8699 5.8699 6.4948 6.4948 6.8232 6.8232 6.9398 6.9398 9.1486 9.1486 9.6599 9.6599 9.6662 9.6662 9.8588 9.8588 9.8854 9.8854 10.6785 10.6785 12.2539 12.2539 12.3007 12.3007 12.4339 12.4339 15.7257 15.7257 16.9040 16.9040 17.6006 17.6006 k = 0.3967-0.0615 0.6124 ( 3499 PWs) bands (ev): 2.8321 2.8321 2.9198 2.9198 2.9994 2.9994 3.0683 3.0683 3.0697 3.0697 3.2066 3.2066 3.2353 3.2353 3.2399 3.2399 3.9787 3.9787 4.5722 4.5722 4.6210 4.6210 4.6344 4.6344 4.8317 4.8317 4.8894 4.8894 4.9570 4.9570 5.4842 5.4842 5.6067 5.6067 5.6527 5.6527 5.8049 5.8049 5.8989 5.8989 6.5298 6.5298 6.8872 6.8872 6.9994 6.9994 9.1791 9.1791 9.6441 9.6441 9.6467 9.6467 9.8316 9.8316 9.8554 9.8554 10.5500 10.5500 12.1369 12.1369 12.1542 12.1542 12.5178 12.5178 15.7040 15.7040 16.9011 16.9011 17.6222 17.6222 k = 0.4022-0.0769 0.6124 ( 3493 PWs) bands (ev): 2.8281 2.8281 2.9084 2.9084 2.9916 2.9916 3.0578 3.0578 3.0588 3.0588 3.1974 3.1974 3.2264 3.2264 3.2310 3.2310 3.9775 3.9775 4.5661 4.5661 4.6202 4.6202 4.6307 4.6307 4.8349 4.8349 4.8906 4.8906 4.9594 4.9594 5.5042 5.5042 5.6241 5.6241 5.6665 5.6665 5.8411 5.8411 5.9274 5.9274 6.5664 6.5664 6.9531 6.9531 7.0611 7.0611 9.2023 9.2023 9.6270 9.6270 9.6285 9.6285 9.8014 9.8014 9.8222 9.8222 10.4154 10.4154 12.0052 12.0052 12.0142 12.0142 12.6398 12.6398 15.6836 15.6836 16.8993 16.8993 17.6414 17.6414 k = 0.4076-0.0922 0.6124 ( 3487 PWs) bands (ev): 2.8244 2.8244 2.8972 2.8972 2.9841 2.9841 3.0478 3.0478 3.0484 3.0484 3.1880 3.1880 3.2179 3.2179 3.2222 3.2222 3.9773 3.9773 4.5601 4.5601 4.6197 4.6197 4.6281 4.6281 4.8391 4.8391 4.8923 4.8923 4.9622 4.9622 5.5237 5.5237 5.6408 5.6408 5.6796 5.6796 5.8765 5.8765 5.9550 5.9550 6.6048 6.6048 7.0211 7.0211 7.1249 7.1249 9.2184 9.2184 9.6071 9.6071 9.6131 9.6131 9.7681 9.7681 9.7854 9.7854 10.2789 10.2789 11.8764 11.8764 11.8813 11.8813 12.7783 12.7783 15.6645 15.6645 16.8987 16.8987 17.6574 17.6574 k = 0.4130-0.1076 0.6124 ( 3487 PWs) bands (ev): 2.8209 2.8209 2.8864 2.8864 2.9769 2.9769 3.0381 3.0381 3.0385 3.0385 3.1783 3.1783 3.2096 3.2096 3.2137 3.2137 3.9781 3.9781 4.5542 4.5542 4.6195 4.6195 4.6263 4.6263 4.8441 4.8441 4.8946 4.8946 4.9654 4.9654 5.5425 5.5425 5.6567 5.6567 5.6920 5.6920 5.9109 5.9109 5.9818 5.9818 6.6448 6.6448 7.0911 7.0911 7.1907 7.1907 9.2269 9.2269 9.5868 9.5868 9.5978 9.5978 9.7317 9.7317 9.7448 9.7448 10.1441 10.1441 11.7535 11.7535 11.7559 11.7559 12.9275 12.9275 15.6468 15.6468 16.8990 16.8990 17.6691 17.6691 k = 0.4185-0.1230 0.6124 ( 3484 PWs) bands (ev): 2.8176 2.8176 2.8760 2.8760 2.9700 2.9700 3.0290 3.0290 3.0291 3.0291 3.1686 3.1686 3.2016 3.2016 3.2054 3.2054 3.9795 3.9795 4.5486 4.5486 4.6194 4.6194 4.6251 4.6251 4.8499 4.8499 4.8972 4.8972 4.9688 4.9688 5.5607 5.5607 5.6718 5.6718 5.7038 5.7038 5.9441 5.9441 6.0076 6.0076 6.6864 6.6864 7.1630 7.1630 7.2585 7.2585 9.2270 9.2270 9.5654 9.5654 9.5824 9.5824 9.6922 9.6922 9.7002 9.7002 10.0144 10.0144 11.6377 11.6377 11.6384 11.6384 13.0841 13.0841 15.6305 15.6305 16.9001 16.9001 17.6750 17.6750 k = 0.4239-0.1383 0.6124 ( 3484 PWs) bands (ev): 2.8145 2.8145 2.8660 2.8660 2.9635 2.9635 3.0202 3.0202 3.0203 3.0203 3.1590 3.1590 3.1940 3.1940 3.1974 3.1974 3.9815 3.9815 4.5434 4.5434 4.6196 4.6196 4.6244 4.6244 4.8563 4.8563 4.9002 4.9002 4.9724 4.9724 5.5782 5.5782 5.6861 5.6861 5.7148 5.7148 5.9760 5.9760 6.0323 6.0323 6.7299 6.7299 7.2368 7.2368 7.3282 7.3282 9.2168 9.2168 9.5417 9.5417 9.5662 9.5662 9.6508 9.6508 9.6523 9.6523 9.8933 9.8933 11.5292 11.5292 11.5298 11.5298 13.2460 13.2460 15.6158 15.6158 16.9020 16.9020 17.6740 17.6740 k = 0.4293-0.1537 0.6124 ( 3480 PWs) bands (ev): 2.8116 2.8116 2.8566 2.8566 2.9573 2.9573 3.0119 3.0119 3.0121 3.0121 3.1497 3.1497 3.1868 3.1868 3.1898 3.1898 3.9839 3.9839 4.5388 4.5388 4.6199 4.6199 4.6241 4.6241 4.8632 4.8632 4.9033 4.9033 4.9761 4.9761 5.5948 5.5948 5.6996 5.6996 5.7252 5.7252 6.0065 6.0065 6.0558 6.0558 6.7749 6.7749 7.3124 7.3124 7.3999 7.3999 9.1937 9.1937 9.5129 9.5129 9.5460 9.5460 9.6040 9.6040 9.6097 9.6097 9.7855 9.7855 11.4288 11.4288 11.4301 11.4301 13.4114 13.4114 15.6027 15.6027 16.9046 16.9046 17.6642 17.6642 k = 0.4348-0.1691 0.6124 ( 3480 PWs) bands (ev): 2.8089 2.8089 2.8476 2.8476 2.9516 2.9516 3.0042 3.0042 3.0045 3.0045 3.1406 3.1406 3.1799 3.1799 3.1826 3.1826 3.9865 3.9865 4.5347 4.5347 4.6203 4.6203 4.6239 4.6239 4.8704 4.8704 4.9066 4.9066 4.9799 4.9799 5.6105 5.6105 5.7124 5.7124 5.7348 5.7348 6.0354 6.0354 6.0781 6.0781 6.8217 6.8217 7.3899 7.3899 7.4735 7.4735 9.1541 9.1541 9.4752 9.4752 9.5104 9.5104 9.5667 9.5667 9.5724 9.5724 9.6958 9.6958 11.3372 11.3372 11.3390 11.3390 13.5785 13.5785 15.5913 15.5913 16.9076 16.9076 17.6443 17.6443 k = 0.4402-0.1845 0.6124 ( 3486 PWs) bands (ev): 2.8064 2.8064 2.8392 2.8392 2.9462 2.9462 2.9971 2.9971 2.9974 2.9974 3.1320 3.1320 3.1735 3.1735 3.1758 3.1758 3.9892 3.9892 4.5312 4.5312 4.6209 4.6209 4.6240 4.6240 4.8779 4.8779 4.9100 4.9100 4.9837 4.9837 5.6253 5.6253 5.7243 5.7243 5.7437 5.7437 6.0625 6.0625 6.0989 6.0989 6.8700 6.8700 7.4691 7.4691 7.5489 7.5489 9.0959 9.0959 9.4259 9.4259 9.4537 9.4537 9.5413 9.5413 9.5460 9.5460 9.6277 9.6277 11.2546 11.2546 11.2566 11.2566 13.7460 13.7460 15.5820 15.5820 16.9110 16.9110 17.6130 17.6130 k = 0.4457-0.1998 0.6124 ( 3486 PWs) bands (ev): 2.8041 2.8041 2.8314 2.8314 2.9412 2.9412 2.9905 2.9905 2.9908 2.9908 3.1238 3.1238 3.1676 3.1676 3.1695 3.1695 3.9919 3.9919 4.5282 4.5282 4.6215 4.6215 4.6241 4.6241 4.8855 4.8855 4.9134 4.9134 4.9874 4.9874 5.6390 5.6390 5.7353 5.7353 5.7519 5.7519 6.0878 6.0878 6.1183 6.1183 6.9198 6.9198 7.5499 7.5499 7.6260 7.6260 9.0206 9.0206 9.3664 9.3664 9.3863 9.3863 9.5155 9.5155 9.5319 9.5319 9.5808 9.5808 11.1810 11.1810 11.1830 11.1830 13.9121 13.9121 15.5749 15.5749 16.9146 16.9146 17.5698 17.5698 k = 0.4511-0.2152 0.6124 ( 3489 PWs) bands (ev): 2.8020 2.8020 2.8242 2.8242 2.9367 2.9367 2.9846 2.9846 2.9849 2.9849 3.1162 3.1162 3.1621 3.1621 3.1638 3.1638 3.9945 3.9945 4.5257 4.5257 4.6222 4.6222 4.6243 4.6243 4.8931 4.8931 4.9166 4.9166 4.9909 4.9909 5.6516 5.6516 5.7455 5.7455 5.7593 5.7593 6.1111 6.1111 6.1361 6.1361 6.9708 6.9708 7.6323 7.6323 7.7047 7.7047 8.9331 8.9331 9.2993 9.2993 9.3128 9.3128 9.4940 9.4940 9.5205 9.5205 9.5497 9.5497 11.1162 11.1162 11.1181 11.1181 14.0752 14.0752 15.5705 15.5705 16.9184 16.9184 17.5147 17.5147 k = 0.4565-0.2306 0.6124 ( 3489 PWs) bands (ev): 2.8001 2.8001 2.8177 2.8177 2.9326 2.9326 2.9793 2.9793 2.9795 2.9795 3.1093 3.1093 3.1572 3.1572 3.1585 3.1585 3.9970 3.9970 4.5237 4.5237 4.6228 4.6228 4.6246 4.6246 4.9003 4.9003 4.9197 4.9197 4.9943 4.9943 5.6631 5.6631 5.7548 5.7548 5.7660 5.7660 6.1323 6.1323 6.1523 6.1523 7.0227 7.0227 7.7160 7.7160 7.7850 7.7850 8.8394 8.8394 9.2265 9.2265 9.2346 9.2346 9.4767 9.4767 9.5105 9.5105 9.5285 9.5285 11.0598 11.0598 11.0615 11.0615 14.2332 14.2332 15.5691 15.5691 16.9221 16.9221 17.4488 17.4488 k = 0.4620-0.2460 0.6124 ( 3495 PWs) bands (ev): 2.7983 2.7983 2.8119 2.8119 2.9290 2.9290 2.9746 2.9746 2.9748 2.9748 3.1031 3.1031 3.1528 3.1528 3.1538 3.1538 3.9992 3.9992 4.5221 4.5221 4.6235 4.6235 4.6249 4.6249 4.9072 4.9072 4.9226 4.9226 4.9974 4.9974 5.6734 5.6734 5.7631 5.7631 5.7719 5.7719 6.1513 6.1513 6.1668 6.1668 7.0750 7.0750 7.8008 7.8008 7.8664 7.8664 8.7443 8.7443 9.1493 9.1493 9.1529 9.1529 9.4631 9.4631 9.5018 9.5018 9.5131 9.5131 11.0115 11.0115 11.0129 11.0129 14.3836 14.3836 15.5713 15.5713 16.9257 16.9257 17.3741 17.3741 k = 0.4674-0.2613 0.6124 ( 3501 PWs) bands (ev): 2.7968 2.7968 2.8068 2.8068 2.9259 2.9259 2.9705 2.9705 2.9707 2.9707 3.0976 3.0976 3.1489 3.1489 3.1497 3.1497 4.0012 4.0012 4.5208 4.5208 4.6241 4.6241 4.6252 4.6252 4.9135 4.9135 4.9252 4.9252 5.0002 5.0002 5.6824 5.6824 5.7704 5.7704 5.7770 5.7770 6.1680 6.1680 6.1795 6.1795 7.1267 7.1267 7.8863 7.8863 7.9487 7.9487 8.6520 8.6520 9.0687 9.0687 9.0689 9.0689 9.4525 9.4525 9.4942 9.4942 9.5013 9.5013 10.9708 10.9708 10.9719 10.9719 14.5236 14.5236 15.5779 15.5779 16.9291 16.9291 17.2933 17.2933 k = 0.4728-0.2767 0.6124 ( 3501 PWs) bands (ev): 2.7955 2.7955 2.8025 2.8025 2.9232 2.9232 2.9670 2.9670 2.9672 2.9672 3.0929 3.0929 3.1456 3.1456 3.1462 3.1462 4.0029 4.0029 4.5198 4.5198 4.6247 4.6247 4.6254 4.6254 4.9192 4.9192 4.9274 4.9274 5.0027 5.0027 5.6901 5.6901 5.7767 5.7767 5.7813 5.7813 6.1823 6.1823 6.1903 6.1903 7.1768 7.1768 7.9719 7.9719 8.0314 8.0314 8.5656 8.5656 8.9831 8.9831 8.9865 8.9865 9.4442 9.4442 9.4878 9.4878 9.4921 9.4921 10.9374 10.9374 10.9381 10.9381 14.6496 14.6496 15.5894 15.5894 16.9321 16.9321 17.2099 17.2099 k = 0.4783-0.2921 0.6124 ( 3510 PWs) bands (ev): 2.7944 2.7944 2.7989 2.7989 2.9210 2.9210 2.9642 2.9642 2.9643 2.9643 3.0890 3.0890 3.1429 3.1429 3.1433 3.1433 4.0044 4.0044 4.5190 4.5190 4.6252 4.6252 4.6257 4.6257 4.9240 4.9240 4.9294 4.9294 5.0048 5.0048 5.6965 5.6965 5.7819 5.7819 5.7849 5.7849 6.1941 6.1941 6.1992 6.1992 7.2236 7.2236 8.0567 8.0567 8.1132 8.1132 8.4885 8.4885 8.8976 8.8976 8.9033 8.9033 9.4377 9.4377 9.4826 9.4826 9.4849 9.4849 10.9106 10.9106 10.9111 10.9111 14.7579 14.7579 15.6059 15.6059 16.9347 16.9347 17.1284 17.1284 k = 0.4837-0.3074 0.6124 ( 3510 PWs) bands (ev): 2.7936 2.7936 2.7961 2.7961 2.9193 2.9193 2.9620 2.9620 2.9620 2.9620 3.0859 3.0859 3.1408 3.1408 3.1410 3.1410 4.0055 4.0055 4.5185 4.5185 4.6256 4.6256 4.6259 4.6259 4.9278 4.9278 4.9309 4.9309 5.0064 5.0064 5.7015 5.7015 5.7859 5.7859 5.7877 5.7877 6.2033 6.2033 6.2062 6.2062 7.2649 7.2649 8.1386 8.1386 8.1916 8.1916 8.4248 8.4248 8.8146 8.8146 8.8215 8.8215 9.4329 9.4329 9.4785 9.4785 9.4797 9.4797 10.8902 10.8902 10.8905 10.8905 14.8448 14.8448 15.6261 15.6261 16.9368 16.9368 17.0542 17.0542 k = 0.4891-0.3228 0.6124 ( 3504 PWs) bands (ev): 2.7930 2.7930 2.7941 2.7941 2.9180 2.9180 2.9604 2.9604 2.9604 2.9604 3.0837 3.0837 3.1393 3.1393 3.1394 3.1394 4.0063 4.0063 4.5182 4.5182 4.6259 4.6259 4.6260 4.6260 4.9306 4.9306 4.9320 4.9320 5.0076 5.0076 5.7050 5.7050 5.7889 5.7889 5.7897 5.7897 6.2100 6.2100 6.2113 6.2113 7.2977 7.2977 8.2136 8.2136 8.2594 8.2594 8.3819 8.3819 8.7387 8.7387 8.7448 8.7448 9.4295 9.4295 9.4755 9.4755 9.4760 9.4760 10.8759 10.8759 10.8760 10.8760 14.9078 14.9078 15.6469 15.6469 16.9384 16.9384 16.9937 16.9937 k = 0.4946-0.3382 0.6124 ( 3492 PWs) bands (ev): 2.7926 2.7926 2.7929 2.7929 2.9173 2.9173 2.9595 2.9595 2.9595 2.9595 3.0824 3.0824 3.1384 3.1384 3.1384 3.1384 4.0067 4.0067 4.5180 4.5180 4.6260 4.6260 4.6261 4.6261 4.9323 4.9323 4.9327 4.9327 5.0084 5.0084 5.7072 5.7072 5.7907 5.7907 5.7909 5.7909 6.2140 6.2140 6.2143 6.2143 7.3191 7.3191 8.2721 8.2721 8.2936 8.2936 8.3771 8.3771 8.6796 8.6796 8.6823 8.6823 9.4276 9.4276 9.4738 9.4738 9.4739 9.4739 10.8674 10.8674 10.8675 10.8675 14.9455 14.9455 15.6629 15.6629 16.9393 16.9393 16.9537 16.9537 k = 0.5000-0.3536 0.6124 ( 3468 PWs) bands (ev): 2.7925 2.7925 2.7925 2.7925 2.9170 2.9170 2.9591 2.9591 2.9591 2.9591 3.0820 3.0820 3.1381 3.1381 3.1381 3.1381 4.0069 4.0069 4.5179 4.5179 4.6261 4.6261 4.6261 4.6261 4.9329 4.9329 4.9329 4.9329 5.0086 5.0086 5.7079 5.7079 5.7913 5.7913 5.7913 5.7913 6.2153 6.2153 6.2153 6.2153 7.3266 7.3266 8.2960 8.2960 8.2960 8.2960 8.3902 8.3902 8.6555 8.6555 8.6555 8.6555 9.4270 9.4270 9.4733 9.4733 9.4733 9.4733 10.8647 10.8647 10.8647 10.8647 14.9581 14.9581 15.6690 15.6690 16.9397 16.9397 16.9397 16.9397 k = 0.2500 0.3536 0.6124 ( 3544 PWs) bands (ev): 3.0174 3.0174 3.1812 3.1812 3.1812 3.1812 3.2346 3.2346 3.3336 3.3336 3.3336 3.3336 3.3851 3.3851 3.3851 3.3851 4.3808 4.3808 4.7746 4.7746 4.7746 4.7746 4.7819 4.7819 4.9222 4.9222 4.9505 4.9505 4.9505 4.9505 5.1383 5.1383 5.2221 5.2221 5.2221 5.2221 5.2244 5.2244 5.2244 5.2244 6.3205 6.3205 6.3205 6.3205 6.3321 6.3321 6.4345 6.4345 10.0260 10.0260 10.0260 10.0260 10.1604 10.1604 10.1703 10.1703 10.1703 10.1703 16.2160 16.2160 16.3522 16.3522 16.7068 16.7068 16.7068 16.7068 17.1455 17.1455 17.4532 17.4532 k = 0.2407 0.3405 0.6124 ( 3494 PWs) bands (ev): 3.0165 3.0165 3.1787 3.1787 3.1824 3.1824 3.2350 3.2350 3.3322 3.3322 3.3340 3.3340 3.3841 3.3841 3.3857 3.3857 4.3788 4.3788 4.7685 4.7685 4.7781 4.7781 4.7827 4.7827 4.9220 4.9220 4.9459 4.9459 4.9574 4.9574 5.1392 5.1392 5.2066 5.2066 5.2204 5.2204 5.2291 5.2291 5.2386 5.2386 6.2588 6.2588 6.2990 6.2990 6.3924 6.3924 6.4669 6.4669 10.0187 10.0187 10.0316 10.0316 10.1467 10.1467 10.1687 10.1687 10.1884 10.1884 16.1739 16.1739 16.3546 16.3546 16.6076 16.6076 16.7908 16.7908 17.1388 17.1388 17.3582 17.3582 k = 0.2315 0.3274 0.6124 ( 3490 PWs) bands (ev): 3.0139 3.0139 3.1748 3.1748 3.1823 3.1823 3.2362 3.2362 3.3297 3.3297 3.3334 3.3334 3.3826 3.3826 3.3859 3.3859 4.3729 4.3729 4.7585 4.7585 4.7795 4.7795 4.7863 4.7863 4.9215 4.9215 4.9429 4.9429 4.9670 4.9670 5.1420 5.1420 5.1912 5.1912 5.2181 5.2181 5.2356 5.2356 5.2547 5.2547 6.1988 6.1988 6.2517 6.2517 6.4651 6.4651 6.5303 6.5303 10.0090 10.0090 10.0353 10.0353 10.1309 10.1309 10.1678 10.1678 10.2115 10.2115 16.0771 16.0771 16.3145 16.3145 16.5283 16.5283 16.8290 16.8290 17.1283 17.1283 17.2839 17.2839 k = 0.2222 0.3143 0.6124 ( 3490 PWs) bands (ev): 3.0095 3.0095 3.1696 3.1696 3.1810 3.1810 3.2378 3.2378 3.3262 3.3262 3.3317 3.3317 3.3808 3.3808 3.3857 3.3857 4.3636 4.3636 4.7452 4.7452 4.7788 4.7788 4.7933 4.7933 4.9204 4.9204 4.9408 4.9408 4.9784 4.9784 5.1464 5.1464 5.1762 5.1762 5.2175 5.2175 5.2434 5.2434 5.2708 5.2708 6.1427 6.1427 6.2039 6.2039 6.5423 6.5423 6.6045 6.6045 9.9969 9.9969 10.0375 10.0375 10.1176 10.1176 10.1663 10.1663 10.2366 10.2366 15.9495 15.9495 16.2015 16.2015 16.4801 16.4801 16.8016 16.8016 17.1349 17.1349 17.2465 17.2465 k = 0.2130 0.3012 0.6124 ( 3490 PWs) bands (ev): 3.0035 3.0035 3.1633 3.1633 3.1788 3.1788 3.2395 3.2395 3.3220 3.3220 3.3292 3.3292 3.3787 3.3787 3.3851 3.3851 4.3516 4.3516 4.7297 4.7297 4.7771 4.7771 4.8025 4.8025 4.9185 4.9185 4.9393 4.9393 4.9905 4.9905 5.1524 5.1524 5.1618 5.1618 5.2186 5.2186 5.2524 5.2524 5.2869 5.2869 6.0907 6.0907 6.1589 6.1589 6.6241 6.6241 6.6856 6.6856 9.9827 9.9827 10.0385 10.0385 10.1066 10.1066 10.1642 10.1642 10.2634 10.2634 15.7992 15.7992 16.0482 16.0482 16.4248 16.4248 16.7389 16.7389 17.1472 17.1472 17.2367 17.2367 k = 0.2037 0.2881 0.6124 ( 3486 PWs) bands (ev): 2.9958 2.9958 3.1559 3.1559 3.1756 3.1756 3.2411 3.2411 3.3171 3.3171 3.3258 3.3258 3.3763 3.3763 3.3841 3.3841 4.3377 4.3377 4.7132 4.7132 4.7748 4.7748 4.8130 4.8130 4.9155 4.9155 4.9384 4.9384 5.0022 5.0022 5.1480 5.1480 5.1597 5.1597 5.2216 5.2216 5.2626 5.2626 5.3028 5.3028 6.0426 6.0426 6.1174 6.1174 6.7105 6.7105 6.7725 6.7725 9.9669 9.9669 10.0385 10.0385 10.0974 10.0974 10.1618 10.1618 10.2915 10.2915 15.6314 15.6314 15.8744 15.8744 16.3465 16.3465 16.6770 16.6770 17.1461 17.1461 17.2324 17.2324 k = 0.1944 0.2750 0.6124 ( 3490 PWs) bands (ev): 2.9865 2.9865 3.1476 3.1476 3.1713 3.1713 3.2423 3.2423 3.3120 3.3120 3.3219 3.3219 3.3737 3.3737 3.3827 3.3827 4.3227 4.3227 4.6965 4.6965 4.7722 4.7722 4.8243 4.8243 4.9116 4.9116 4.9379 4.9379 5.0127 5.0127 5.1352 5.1352 5.1677 5.1677 5.2266 5.2266 5.2740 5.2740 5.3185 5.3185 5.9982 5.9982 6.0794 6.0794 6.8016 6.8016 6.8645 6.8645 9.9502 9.9502 10.0375 10.0375 10.0895 10.0895 10.1589 10.1589 10.3209 10.3209 15.4509 15.4509 15.6867 15.6867 16.2529 16.2529 16.6242 16.6242 17.1314 17.1314 17.2158 17.2158 k = 0.1852 0.2619 0.6124 ( 3490 PWs) bands (ev): 2.9756 2.9756 3.1384 3.1384 3.1660 3.1660 3.2429 3.2429 3.3068 3.3068 3.3174 3.3174 3.3710 3.3710 3.3811 3.3811 4.3070 4.3070 4.6803 4.6803 4.7693 4.7693 4.8358 4.8358 4.9069 4.9069 4.9376 4.9376 5.0217 5.0217 5.1234 5.1234 5.1760 5.1760 5.2338 5.2338 5.2865 5.2865 5.3340 5.3340 5.9575 5.9575 6.0447 6.0447 6.8974 6.8974 6.9610 6.9610 9.9329 9.9329 10.0354 10.0354 10.0825 10.0825 10.1558 10.1558 10.3516 10.3516 15.2620 15.2620 15.4885 15.4885 16.1548 16.1548 16.5772 16.5772 17.1061 17.1061 17.1857 17.1857 k = 0.1759 0.2488 0.6124 ( 3494 PWs) bands (ev): 2.9634 2.9634 3.1284 3.1284 3.1596 3.1596 3.2427 3.2427 3.3019 3.3019 3.3127 3.3127 3.3681 3.3681 3.3792 3.3792 4.2913 4.2913 4.6650 4.6650 4.7665 4.7665 4.8471 4.8471 4.9016 4.9016 4.9374 4.9374 5.0290 5.0290 5.1128 5.1128 5.1843 5.1843 5.2431 5.2431 5.2999 5.2999 5.3493 5.3493 5.9201 5.9201 6.0131 6.0131 6.9979 6.9979 7.0616 7.0616 9.9156 9.9156 10.0320 10.0320 10.0762 10.0762 10.1525 10.1525 10.3835 10.3835 15.0679 15.0679 15.2829 15.2829 16.0580 16.0580 16.5333 16.5333 17.0730 17.0730 17.1470 17.1470 k = 0.1667 0.2357 0.6124 ( 3490 PWs) bands (ev): 2.9498 2.9498 3.1176 3.1176 3.1523 3.1523 3.2415 3.2415 3.2977 3.2977 3.3078 3.3078 3.3651 3.3651 3.3771 3.3771 4.2760 4.2760 4.6507 4.6507 4.7636 4.7636 4.8577 4.8577 4.8960 4.8960 4.9370 4.9370 5.0346 5.0346 5.1034 5.1034 5.1922 5.1922 5.2541 5.2541 5.3140 5.3140 5.3644 5.3644 5.8860 5.8860 5.9842 5.9842 7.1028 7.1028 7.1658 7.1658 9.8985 9.8985 10.0269 10.0269 10.0705 10.0705 10.1493 10.1493 10.4167 10.4167 14.8713 14.8713 15.0722 15.0722 15.9650 15.9650 16.4911 16.4911 17.0351 17.0351 17.1039 17.1039 k = 0.1574 0.2226 0.6124 ( 3500 PWs) bands (ev): 2.9352 2.9352 3.1061 3.1061 3.1441 3.1441 3.2395 3.2395 3.2942 3.2942 3.3030 3.3030 3.3622 3.3622 3.3748 3.3748 4.2614 4.2614 4.6378 4.6378 4.7610 4.7610 4.8673 4.8673 4.8900 4.8900 4.9367 4.9367 5.0387 5.0387 5.0955 5.0955 5.1997 5.1997 5.2664 5.2664 5.3285 5.3285 5.3793 5.3793 5.8549 5.8549 5.9579 5.9579 7.2121 7.2121 7.2731 7.2731 9.8816 9.8816 10.0198 10.0198 10.0654 10.0654 10.1460 10.1460 10.4512 10.4512 14.6739 14.6739 14.8586 14.8586 15.8764 15.8764 16.4505 16.4505 16.9947 16.9947 17.0589 17.0589 k = 0.1481 0.2095 0.6124 ( 3496 PWs) bands (ev): 2.9195 2.9195 3.0936 3.0936 3.1353 3.1353 3.2366 3.2366 3.2916 3.2916 3.2982 3.2982 3.3592 3.3592 3.3725 3.3725 4.2476 4.2476 4.6261 4.6261 4.7586 4.7586 4.8755 4.8755 4.8840 4.8840 4.9363 4.9363 5.0415 5.0415 5.0891 5.0891 5.2069 5.2069 5.2795 5.2795 5.3432 5.3432 5.3941 5.3941 5.8265 5.8265 5.9340 5.9340 7.3253 7.3253 7.3828 7.3828 9.8654 9.8654 10.0104 10.0104 10.0612 10.0612 10.1429 10.1429 10.4872 10.4872 14.4774 14.4774 14.6439 14.6439 15.7924 15.7924 16.4114 16.4114 16.9537 16.9537 17.0136 17.0136 k = 0.1389 0.1964 0.6124 ( 3500 PWs) bands (ev): 2.9032 2.9032 3.0804 3.0804 3.1261 3.1261 3.2332 3.2332 3.2897 3.2897 3.2937 3.2937 3.3563 3.3563 3.3701 3.3701 4.2349 4.2349 4.6158 4.6158 4.7566 4.7566 4.8769 4.8769 4.8831 4.8831 4.9363 4.9363 5.0430 5.0430 5.0844 5.0844 5.2138 5.2138 5.2930 5.2930 5.3577 5.3577 5.4088 5.4088 5.8008 5.8008 5.9121 5.9121 7.4422 7.4422 7.4944 7.4944 9.8497 9.8497 9.9984 9.9984 10.0577 10.0577 10.1400 10.1400 10.5249 10.5249 14.2828 14.2828 14.4292 14.4292 15.7131 15.7131 16.3740 16.3740 16.9134 16.9134 16.9690 16.9690 k = 0.1296 0.1833 0.6124 ( 3512 PWs) bands (ev): 2.8864 2.8864 3.0664 3.0664 3.1169 3.1169 3.2294 3.2294 3.2880 3.2880 3.2898 3.2898 3.3534 3.3534 3.3677 3.3677 4.2232 4.2232 4.6068 4.6068 4.7549 4.7549 4.8707 4.8707 4.8879 4.8879 4.9366 4.9366 5.0436 5.0436 5.0812 5.0812 5.2205 5.2205 5.3066 5.3066 5.3716 5.3716 5.4235 5.4235 5.7774 5.7774 5.8922 5.8922 7.5625 7.5625 7.6071 7.6071 9.8347 9.8347 9.9838 9.9838 10.0546 10.0546 10.1374 10.1374 10.5643 10.5643 14.0911 14.0911 14.2158 14.2158 15.6383 15.6383 16.3382 16.3382 16.8743 16.8743 16.9259 16.9259 k = 0.1204 0.1702 0.6124 ( 3508 PWs) bands (ev): 2.8693 2.8693 3.0519 3.0519 3.1077 3.1077 3.2255 3.2255 3.2850 3.2850 3.2880 3.2880 3.3506 3.3506 3.3655 3.3655 4.2126 4.2126 4.5990 4.5990 4.7538 4.7538 4.8642 4.8642 4.8910 4.8910 4.9375 4.9375 5.0436 5.0436 5.0794 5.0794 5.2268 5.2268 5.3201 5.3201 5.3847 5.3847 5.4383 5.4383 5.7563 5.7563 5.8740 5.8740 7.6858 7.6858 7.7202 7.7202 9.8205 9.8205 9.9664 9.9664 10.0521 10.0521 10.1350 10.1350 10.6061 10.6061 13.9030 13.9030 14.0051 14.0051 15.5681 15.5681 16.3043 16.3043 16.8373 16.8373 16.8848 16.8848 k = 0.1111 0.1571 0.6124 ( 3512 PWs) bands (ev): 2.8523 2.8523 3.0370 3.0370 3.0989 3.0989 3.2215 3.2215 3.2814 3.2814 3.2872 3.2872 3.3479 3.3479 3.3633 3.3633 4.2031 4.2031 4.5923 4.5923 4.7531 4.7531 4.8576 4.8576 4.8925 4.8925 4.9388 4.9388 5.0434 5.0434 5.0786 5.0786 5.2329 5.2329 5.3333 5.3333 5.3967 5.3967 5.4530 5.4530 5.7373 5.7373 5.8575 5.8575 7.8115 7.8115 7.8329 7.8329 9.8071 9.8071 9.9460 9.9460 10.0498 10.0498 10.1329 10.1329 10.6505 10.6505 13.7181 13.7181 13.7987 13.7987 15.5026 15.5026 16.2725 16.2725 16.8024 16.8024 16.8460 16.8460 k = 0.1019 0.1440 0.6124 ( 3518 PWs) bands (ev): 2.8355 2.8355 3.0219 3.0219 3.0906 3.0906 3.2176 3.2176 3.2780 3.2780 3.2867 3.2867 3.3453 3.3453 3.3613 3.3613 4.1946 4.1946 4.5865 4.5865 4.7529 4.7529 4.8510 4.8510 4.8928 4.8928 4.9403 4.9403 5.0432 5.0432 5.0784 5.0784 5.2387 5.2387 5.3460 5.3460 5.4076 5.4076 5.4676 5.4676 5.7202 5.7202 5.8423 5.8423 7.9392 7.9392 7.9440 7.9440 9.7944 9.7944 9.9225 9.9225 10.0478 10.0478 10.1309 10.1309 10.6979 10.6979 13.5346 13.5346 13.6006 13.6006 15.4418 15.4418 16.2427 16.2427 16.7701 16.7701 16.8097 16.8097 k = 0.0926 0.1309 0.6124 ( 3522 PWs) bands (ev): 2.8193 2.8193 3.0071 3.0071 3.0829 3.0829 3.2139 3.2139 3.2749 3.2749 3.2864 3.2864 3.3428 3.3428 3.3594 3.3594 4.1872 4.1872 4.5817 4.5817 4.7533 4.7533 4.8443 4.8443 4.8920 4.8920 4.9417 4.9417 5.0434 5.0434 5.0787 5.0787 5.2442 5.2442 5.3582 5.3582 5.4173 5.4173 5.4818 5.4818 5.7050 5.7050 5.8285 5.8285 8.0525 8.0525 8.0685 8.0685 9.7822 9.7822 9.8956 9.8956 10.0460 10.0460 10.1292 10.1292 10.7490 10.7490 13.3476 13.3476 13.4172 13.4172 15.3857 15.3857 16.2151 16.2151 16.7403 16.7403 16.7762 16.7762 k = 0.0833 0.1179 0.6124 ( 3526 PWs) bands (ev): 2.8039 2.8039 2.9928 2.9928 3.0757 3.0757 3.2104 3.2104 3.2722 3.2722 3.2860 3.2860 3.3405 3.3405 3.3578 3.3578 4.1806 4.1806 4.5777 4.5777 4.7543 4.7543 4.8378 4.8378 4.8907 4.8907 4.9429 4.9429 5.0438 5.0438 5.0792 5.0792 5.2493 5.2493 5.3698 5.3698 5.4258 5.4258 5.4954 5.4954 5.6916 5.6916 5.8158 5.8158 8.1572 8.1572 8.1985 8.1985 9.7704 9.7704 9.8653 9.8653 10.0444 10.0444 10.1278 10.1278 10.8045 10.8045 13.1561 13.1561 13.2514 13.2514 15.3346 15.3346 16.1898 16.1898 16.7134 16.7134 16.7456 16.7456 k = 0.0741 0.1048 0.6124 ( 3516 PWs) bands (ev): 2.7895 2.7895 2.9792 2.9792 3.0693 3.0693 3.2072 3.2072 3.2698 3.2698 3.2858 3.2858 3.3383 3.3383 3.3563 3.3563 4.1750 4.1750 4.5743 4.5743 4.7558 4.7558 4.8313 4.8313 4.8890 4.8890 4.9438 4.9438 5.0447 5.0447 5.0799 5.0799 5.2541 5.2541 5.3806 5.3806 5.4332 5.4332 5.5081 5.5081 5.6800 5.6800 5.8044 5.8044 8.2567 8.2567 8.3288 8.3288 9.7579 9.7579 9.8320 9.8320 10.0430 10.0430 10.1266 10.1266 10.8651 10.8651 12.9643 12.9643 13.1008 13.1008 15.2885 15.2885 16.1669 16.1669 16.6892 16.6892 16.7179 16.7179 k = 0.0648 0.0917 0.6124 ( 3520 PWs) bands (ev): 2.7763 2.7763 2.9667 2.9667 3.0635 3.0635 3.2043 3.2043 3.2676 3.2676 3.2855 3.2855 3.3364 3.3364 3.3550 3.3550 4.1701 4.1701 4.5715 4.5715 4.7579 4.7579 4.8249 4.8249 4.8872 4.8872 4.9445 4.9445 5.0457 5.0457 5.0805 5.0805 5.2583 5.2583 5.3907 5.3907 5.4394 5.4394 5.5198 5.5198 5.6702 5.6702 5.7940 5.7940 8.3496 8.3496 8.4584 8.4584 9.7415 9.7415 9.7983 9.7983 10.0417 10.0417 10.1255 10.1255 10.9315 10.9315 12.7756 12.7756 12.9641 12.9641 15.2475 15.2475 16.1464 16.1464 16.6679 16.6679 16.6933 16.6933 k = 0.0556 0.0786 0.6124 ( 3512 PWs) bands (ev): 2.7645 2.7645 2.9553 2.9553 3.0585 3.0585 3.2017 3.2017 3.2658 3.2658 3.2853 3.2853 3.3347 3.3347 3.3539 3.3539 4.1660 4.1660 4.5693 4.5693 4.7604 4.7604 4.8187 4.8187 4.8854 4.8854 4.9448 4.9448 5.0470 5.0470 5.0812 5.0812 5.2621 5.2621 5.3999 5.3999 5.4446 5.4446 5.5301 5.5301 5.6621 5.6621 5.7847 5.7847 8.4343 8.4343 8.5867 8.5867 9.7126 9.7126 9.7722 9.7722 10.0406 10.0406 10.1246 10.1246 11.0048 11.0048 12.5918 12.5918 12.8419 12.8419 15.2117 15.2117 16.1286 16.1286 16.6495 16.6495 16.6718 16.6718 k = 0.0463 0.0655 0.6124 ( 3508 PWs) bands (ev): 2.7542 2.7542 2.9454 2.9454 3.0542 3.0542 3.1995 3.1995 3.2642 3.2642 3.2851 3.2851 3.3332 3.3332 3.3530 3.3530 4.1626 4.1626 4.5674 4.5674 4.7634 4.7634 4.8126 4.8126 4.8836 4.8836 4.9450 4.9450 5.0482 5.0482 5.0817 5.0817 5.2654 5.2654 5.4081 5.4081 5.4487 5.4487 5.5388 5.5388 5.6558 5.6558 5.7765 5.7765 8.5092 8.5092 8.7127 8.7127 9.6666 9.6666 9.7577 9.7577 10.0397 10.0397 10.1239 10.1239 11.0857 11.0857 12.4138 12.4138 12.7352 12.7352 15.1812 15.1812 16.1133 16.1133 16.6339 16.6339 16.6534 16.6534 k = 0.0370 0.0524 0.6124 ( 3504 PWs) bands (ev): 2.7456 2.7456 2.9371 2.9371 3.0506 3.0506 3.1976 3.1976 3.2630 3.2630 3.2849 3.2849 3.3319 3.3319 3.3523 3.3523 4.1599 4.1599 4.5660 4.5660 4.7669 4.7669 4.8068 4.8068 4.8821 4.8821 4.9451 4.9451 5.0494 5.0494 5.0822 5.0822 5.2681 5.2681 5.4152 5.4152 5.4518 5.4518 5.5458 5.5458 5.6512 5.6512 5.7695 5.7695 8.5730 8.5730 8.8353 8.8353 9.6084 9.6084 9.7494 9.7494 10.0389 10.0389 10.1233 10.1233 11.1749 11.1749 12.2427 12.2427 12.6454 12.6454 15.1562 15.1562 16.1008 16.1008 16.6213 16.6213 16.6383 16.6383 k = 0.0278 0.0393 0.6124 ( 3508 PWs) bands (ev): 2.7388 2.7388 2.9306 2.9306 3.0479 3.0479 3.1961 3.1961 3.2620 3.2620 3.2847 3.2847 3.3309 3.3309 3.3517 3.3517 4.1579 4.1579 4.5650 4.5650 4.7707 4.7707 4.8011 4.8011 4.8808 4.8808 4.9451 4.9451 5.0503 5.0503 5.0826 5.0826 5.2703 5.2703 5.4211 5.4211 5.4539 5.4539 5.5511 5.5511 5.6482 5.6482 5.7638 5.7638 8.6241 8.6241 8.9535 8.9535 9.5410 9.5410 9.7439 9.7439 10.0383 10.0383 10.1228 10.1228 11.2728 11.2728 12.0794 12.0794 12.5738 12.5738 15.1366 15.1366 16.0910 16.0910 16.6116 16.6116 16.6265 16.6265 k = 0.0185 0.0262 0.6124 ( 3498 PWs) bands (ev): 2.7339 2.7339 2.9258 2.9258 3.0459 3.0459 3.1951 3.1951 3.2613 3.2613 3.2846 3.2846 3.3302 3.3302 3.3514 3.3514 4.1564 4.1564 4.5642 4.5642 4.7747 4.7747 4.7957 4.7957 4.8799 4.8799 4.9450 4.9450 5.0511 5.0511 5.0829 5.0829 5.2719 5.2719 5.4256 5.4256 5.4553 5.4553 5.5546 5.5546 5.6464 5.6464 5.7595 5.7595 8.6616 8.6616 9.0658 9.0658 9.4658 9.4658 9.7403 9.7403 10.0378 10.0378 10.1225 10.1225 11.3793 11.3793 11.9254 11.9254 12.5217 12.5217 15.1225 15.1225 16.0839 16.0839 16.6046 16.6046 16.6179 16.6179 k = 0.0093 0.0131 0.6124 ( 3494 PWs) bands (ev): 2.7310 2.7310 2.9229 2.9229 3.0447 3.0447 3.1944 3.1944 3.2609 3.2609 3.2846 3.2846 3.3298 3.3298 3.3511 3.3511 4.1555 4.1555 4.5638 4.5638 4.7788 4.7788 4.7909 4.7909 4.8793 4.8793 4.9450 4.9450 5.0516 5.0516 5.0831 5.0831 5.2728 5.2728 5.4284 5.4284 5.4560 5.4560 5.5567 5.5567 5.6455 5.6455 5.7569 5.7569 8.6845 8.6845 9.1687 9.1687 9.3854 9.3854 9.7383 9.7383 10.0376 10.0376 10.1223 10.1223 11.4917 11.4917 11.7842 11.7842 12.4901 12.4901 15.1141 15.1141 16.0797 16.0797 16.6005 16.6005 16.6128 16.6128 k = 0.0000 0.0000 0.6124 ( 3500 PWs) bands (ev): 2.7300 2.7300 2.9219 2.9219 3.0443 3.0443 3.1942 3.1942 3.2608 3.2608 3.2846 3.2846 3.3296 3.3296 3.3510 3.3510 4.1552 4.1552 4.5636 4.5636 4.7813 4.7813 4.7881 4.7881 4.8791 4.8791 4.9450 4.9450 5.0517 5.0517 5.0831 5.0831 5.2731 5.2731 5.4294 5.4294 5.4562 5.4562 5.5573 5.5573 5.6453 5.6453 5.7560 5.7560 8.6922 8.6922 9.2336 9.2336 9.3281 9.3281 9.7376 9.7376 10.0375 10.0375 10.1223 10.1223 11.5730 11.5730 11.6931 11.6931 12.4794 12.4794 15.1113 15.1113 16.0782 16.0782 16.5991 16.5991 16.6110 16.6110 Writing output data file NiHg4.save init_run : 0.27s CPU 0.41s WALL ( 1 calls) electrons : 270.36s CPU 273.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 270.35s CPU 273.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 252 calls) cegterg : 255.25s CPU 258.36s WALL ( 458 calls) Called by sum_band: Called by *egterg: h_psi : 152.16s CPU 154.77s WALL ( 7597 calls) s_psi : 9.80s CPU 9.80s WALL ( 7597 calls) g_psi : 0.34s CPU 0.32s WALL ( 6887 calls) cdiaghg : 80.29s CPU 81.33s WALL ( 7139 calls) cegterg:over : 10.24s CPU 10.34s WALL ( 6887 calls) cegterg:upda : 7.73s CPU 7.41s WALL ( 6887 calls) cegterg:last : 4.80s CPU 4.84s WALL ( 1463 calls) cdiaghg:chol : 4.65s CPU 4.67s WALL ( 7139 calls) cdiaghg:inve : 3.43s CPU 3.32s WALL ( 7139 calls) cdiaghg:para : 5.60s CPU 5.65s WALL ( 14278 calls) Called by h_psi: h_psi:vloc : 131.56s CPU 133.84s WALL ( 7597 calls) h_psi:vnl : 20.32s CPU 20.61s WALL ( 7597 calls) add_vuspsi : 11.22s CPU 11.51s WALL ( 7597 calls) General routines calbec : 9.07s CPU 9.08s WALL ( 7597 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 122.41s CPU 124.83s WALL ( 1231776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 504 calls) Parallel routines fft_scatter : 38.36s CPU 38.65s WALL ( 1231799 calls) PWSCF : 4m45.47s CPU 5m 0.02s WALL This run was terminated on: 19:39: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=