Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:38: 9 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: ./LiPt2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 85 81 22 3131 2898 417 Max 86 82 23 3135 2912 421 Sum 3079 2917 805 112771 104579 15065 bravais-lattice index = 14 lattice parameter (alat) = 10.1554 a.u. unit-cell volume = 740.5891 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.155409 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( -0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0119048 -0.0068732 0.0097202), wk = 0.0035714 k( 3) = ( 0.0238095 -0.0137464 0.0194404), wk = 0.0035714 k( 4) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0035714 k( 5) = ( 0.0476191 -0.0274929 0.0388808), wk = 0.0035714 k( 6) = ( 0.0595238 -0.0343661 0.0486010), wk = 0.0035714 k( 7) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0035714 k( 8) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0035714 k( 9) = ( 0.0952381 -0.0549857 0.0777616), wk = 0.0035714 k( 10) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0035714 k( 11) = ( 0.1190476 -0.0687322 0.0972020), wk = 0.0035714 k( 12) = ( 0.1309524 -0.0756054 0.1069222), wk = 0.0035714 k( 13) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0035714 k( 14) = ( 0.1547619 -0.0893518 0.1263626), wk = 0.0035714 k( 15) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0035714 k( 16) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0035714 k( 17) = ( 0.1904762 -0.1099715 0.1555232), wk = 0.0035714 k( 18) = ( 0.2023810 -0.1168447 0.1652434), wk = 0.0035714 k( 19) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0035714 k( 20) = ( 0.2261905 -0.1305911 0.1846838), wk = 0.0035714 k( 21) = ( 0.2380952 -0.1374644 0.1944039), wk = 0.0035714 k( 22) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0035714 k( 23) = ( 0.2619048 -0.1512108 0.2138443), wk = 0.0035714 k( 24) = ( 0.2738095 -0.1580840 0.2235645), wk = 0.0035714 k( 25) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0035714 k( 26) = ( 0.2976190 -0.1718304 0.2430049), wk = 0.0035714 k( 27) = ( 0.3095238 -0.1787037 0.2527251), wk = 0.0035714 k( 28) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0035714 k( 29) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0035714 k( 30) = ( 0.3452381 -0.1993233 0.2818857), wk = 0.0035714 k( 31) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0035714 k( 32) = ( 0.3690476 -0.2130697 0.3013261), wk = 0.0035714 k( 33) = ( 0.3809524 -0.2199430 0.3110463), wk = 0.0035714 k( 34) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0035714 k( 35) = ( 0.4047619 -0.2336894 0.3304867), wk = 0.0035714 k( 36) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0035714 k( 37) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0035714 k( 38) = ( 0.4404762 -0.2543090 0.3596473), wk = 0.0035714 k( 39) = ( 0.4523810 -0.2611823 0.3693675), wk = 0.0035714 k( 40) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0035714 k( 41) = ( 0.4761905 -0.2749287 0.3888079), wk = 0.0035714 k( 42) = ( 0.4880952 -0.2818019 0.3985281), wk = 0.0035714 k( 43) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035714 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035714 k( 45) = ( 0.5000000 -0.2749287 0.4179685), wk = 0.0035714 k( 46) = ( 0.5000000 -0.2611823 0.4276887), wk = 0.0035714 k( 47) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0035714 k( 48) = ( 0.5000000 -0.2336894 0.4471291), wk = 0.0035714 k( 49) = ( 0.5000000 -0.2199430 0.4568493), wk = 0.0035714 k( 50) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0035714 k( 51) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0035714 k( 52) = ( 0.5000000 -0.1787036 0.4860099), wk = 0.0035714 k( 53) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0035714 k( 54) = ( 0.5000000 -0.1512108 0.5054503), wk = 0.0035714 k( 55) = ( 0.5000000 -0.1374644 0.5151705), wk = 0.0035714 k( 56) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0035714 k( 57) = ( 0.5000000 -0.1099715 0.5346109), wk = 0.0035714 k( 58) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0035714 k( 59) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0035714 k( 60) = ( 0.5000000 -0.0687322 0.5637714), wk = 0.0035714 k( 61) = ( 0.5000000 -0.0549857 0.5734916), wk = 0.0035714 k( 62) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0035714 k( 63) = ( 0.5000000 -0.0274929 0.5929320), wk = 0.0035714 k( 64) = ( 0.5000000 -0.0137464 0.6026522), wk = 0.0035714 k( 65) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035714 k( 66) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035714 k( 67) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0035714 k( 68) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0035714 k( 69) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0035714 k( 70) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0035714 k( 71) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0035714 k( 72) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0035714 k( 73) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0035714 k( 74) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0035714 k( 75) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0035714 k( 76) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0035714 k( 77) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0035714 k( 78) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0035714 k( 79) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0035714 k( 80) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0035714 k( 81) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035714 k( 82) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035714 k( 83) = ( 0.3664773 0.2115858 0.5984549), wk = 0.0035714 k( 84) = ( 0.3579545 0.2066652 0.5845373), wk = 0.0035714 k( 85) = ( 0.3494318 0.2017446 0.5706198), wk = 0.0035714 k( 86) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0035714 k( 87) = ( 0.3323864 0.1919034 0.5427847), wk = 0.0035714 k( 88) = ( 0.3238636 0.1869828 0.5288671), wk = 0.0035714 k( 89) = ( 0.3153409 0.1820622 0.5149495), wk = 0.0035714 k( 90) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0035714 k( 91) = ( 0.2982955 0.1722210 0.4871144), wk = 0.0035714 k( 92) = ( 0.2897727 0.1673004 0.4731969), wk = 0.0035714 k( 93) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0035714 k( 94) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0035714 k( 95) = ( 0.2642045 0.1525386 0.4314442), wk = 0.0035714 k( 96) = ( 0.2556818 0.1476180 0.4175267), wk = 0.0035714 k( 97) = ( 0.2471591 0.1426974 0.4036091), wk = 0.0035714 k( 98) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0035714 k( 99) = ( 0.2301136 0.1328562 0.3757740), wk = 0.0035714 k( 100) = ( 0.2215909 0.1279356 0.3618564), wk = 0.0035714 k( 101) = ( 0.2130682 0.1230150 0.3479389), wk = 0.0035714 k( 102) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0035714 k( 103) = ( 0.1960227 0.1131738 0.3201038), wk = 0.0035714 k( 104) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0035714 k( 105) = ( 0.1789773 0.1033326 0.2922687), wk = 0.0035714 k( 106) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0035714 k( 107) = ( 0.1619318 0.0934914 0.2644336), wk = 0.0035714 k( 108) = ( 0.1534091 0.0885708 0.2505160), wk = 0.0035714 k( 109) = ( 0.1448864 0.0836502 0.2365984), wk = 0.0035714 k( 110) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0035714 k( 111) = ( 0.1278409 0.0738090 0.2087633), wk = 0.0035714 k( 112) = ( 0.1193182 0.0688884 0.1948458), wk = 0.0035714 k( 113) = ( 0.1107955 0.0639678 0.1809282), wk = 0.0035714 k( 114) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0035714 k( 115) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0035714 k( 116) = ( 0.0852273 0.0492060 0.1391756), wk = 0.0035714 k( 117) = ( 0.0767045 0.0442854 0.1252580), wk = 0.0035714 k( 118) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0035714 k( 119) = ( 0.0596591 0.0344442 0.0974229), wk = 0.0035714 k( 120) = ( 0.0511364 0.0295236 0.0835053), wk = 0.0035714 k( 121) = ( 0.0426136 0.0246030 0.0695878), wk = 0.0035714 k( 122) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0035714 k( 123) = ( 0.0255682 0.0147618 0.0417527), wk = 0.0035714 k( 124) = ( 0.0170455 0.0098412 0.0278351), wk = 0.0035714 k( 125) = ( 0.0085227 0.0049206 0.0139175), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 128) = ( 0.0138889 0.0080188 0.0056701), wk = 0.0035714 k( 129) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0035714 k( 130) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0035714 k( 131) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0035714 k( 132) = ( 0.0694444 0.0400938 0.0283506), wk = 0.0035714 k( 133) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0035714 k( 134) = ( 0.0972222 0.0561313 0.0396908), wk = 0.0035714 k( 135) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0035714 k( 136) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0035714 k( 137) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0035714 k( 138) = ( 0.1527778 0.0882063 0.0623713), wk = 0.0035714 k( 139) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0035714 k( 140) = ( 0.1805556 0.1042438 0.0737115), wk = 0.0035714 k( 141) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0035714 k( 142) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0035714 k( 143) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0035714 k( 144) = ( 0.2361111 0.1363188 0.0963920), wk = 0.0035714 k( 145) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0035714 k( 146) = ( 0.2638889 0.1523563 0.1077322), wk = 0.0035714 k( 147) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0035714 k( 148) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0035714 k( 149) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0035714 k( 150) = ( 0.3194444 0.1844313 0.1304126), wk = 0.0035714 k( 151) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0035714 k( 152) = ( 0.3472222 0.2004688 0.1417529), wk = 0.0035714 k( 153) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0035714 k( 154) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0035714 k( 155) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0035714 k( 156) = ( 0.4027778 0.2325439 0.1644333), wk = 0.0035714 k( 157) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0035714 k( 158) = ( 0.4305556 0.2485814 0.1757736), wk = 0.0035714 k( 159) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0035714 k( 160) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0035714 k( 161) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0035714 k( 162) = ( 0.4861111 0.2806564 0.1984540), wk = 0.0035714 k( 163) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035714 k( 164) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035714 k( 165) = ( 0.5048077 0.2747965 0.2119751), wk = 0.0035714 k( 166) = ( 0.5096154 0.2609179 0.2198260), wk = 0.0035714 k( 167) = ( 0.5144231 0.2470393 0.2276769), wk = 0.0035714 k( 168) = ( 0.5192308 0.2331607 0.2355279), wk = 0.0035714 k( 169) = ( 0.5240385 0.2192821 0.2433788), wk = 0.0035714 k( 170) = ( 0.5288462 0.2054035 0.2512297), wk = 0.0035714 k( 171) = ( 0.5336538 0.1915248 0.2590806), wk = 0.0035714 k( 172) = ( 0.5384615 0.1776462 0.2669316), wk = 0.0035714 k( 173) = ( 0.5432692 0.1637676 0.2747825), wk = 0.0035714 k( 174) = ( 0.5480769 0.1498890 0.2826334), wk = 0.0035714 k( 175) = ( 0.5528846 0.1360104 0.2904844), wk = 0.0035714 k( 176) = ( 0.5576923 0.1221318 0.2983353), wk = 0.0035714 k( 177) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0035714 k( 178) = ( 0.5673077 0.0943746 0.3140371), wk = 0.0035714 k( 179) = ( 0.5721154 0.0804960 0.3218881), wk = 0.0035714 k( 180) = ( 0.5769231 0.0666173 0.3297390), wk = 0.0035714 k( 181) = ( 0.5817308 0.0527387 0.3375899), wk = 0.0035714 k( 182) = ( 0.5865385 0.0388601 0.3454409), wk = 0.0035714 k( 183) = ( 0.5913462 0.0249815 0.3532918), wk = 0.0035714 k( 184) = ( 0.5961538 0.0111029 0.3611427), wk = 0.0035714 k( 185) = ( 0.6009615 -0.0027757 0.3689936), wk = 0.0035714 k( 186) = ( 0.6057692 -0.0166543 0.3768446), wk = 0.0035714 k( 187) = ( 0.6105769 -0.0305329 0.3846955), wk = 0.0035714 k( 188) = ( 0.6153846 -0.0444116 0.3925464), wk = 0.0035714 k( 189) = ( 0.6201923 -0.0582902 0.4003974), wk = 0.0035714 k( 190) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035714 k( 191) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035714 k( 192) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0035714 k( 193) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0035714 k( 194) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0035714 k( 195) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0035714 k( 196) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0035714 k( 197) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0035714 k( 198) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0035714 k( 199) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0035714 k( 200) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0035714 k( 201) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0035714 k( 202) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0035714 k( 203) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0035714 k( 204) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0035714 k( 205) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0035714 k( 206) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035714 k( 207) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035714 k( 208) = ( 0.5000000 0.0096225 0.5987642), wk = 0.0035714 k( 209) = ( 0.5000000 0.0192450 0.5851559), wk = 0.0035714 k( 210) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0035714 k( 211) = ( 0.5000000 0.0384900 0.5579393), wk = 0.0035714 k( 212) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0035714 k( 213) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0035714 k( 214) = ( 0.5000000 0.0673575 0.5171145), wk = 0.0035714 k( 215) = ( 0.5000000 0.0769800 0.5035062), wk = 0.0035714 k( 216) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0035714 k( 217) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0035714 k( 218) = ( 0.5000000 0.1058476 0.4626814), wk = 0.0035714 k( 219) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0035714 k( 220) = ( 0.5000000 0.1250926 0.4354648), wk = 0.0035714 k( 221) = ( 0.5000000 0.1347151 0.4218566), wk = 0.0035714 k( 222) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0035714 k( 223) = ( 0.5000000 0.1539601 0.3946400), wk = 0.0035714 k( 224) = ( 0.5000000 0.1635826 0.3810317), wk = 0.0035714 k( 225) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0035714 k( 226) = ( 0.5000000 0.1828276 0.3538152), wk = 0.0035714 k( 227) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0035714 k( 228) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0035714 k( 229) = ( 0.5000000 0.2116951 0.3129904), wk = 0.0035714 k( 230) = ( 0.5000000 0.2213176 0.2993821), wk = 0.0035714 k( 231) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0035714 k( 232) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0035714 k( 233) = ( 0.5000000 0.2501851 0.2585572), wk = 0.0035714 k( 234) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0035714 k( 235) = ( 0.5000000 0.2694301 0.2313407), wk = 0.0035714 k( 236) = ( 0.5000000 0.2790526 0.2177324), wk = 0.0035714 k( 237) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035714 k( 238) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035714 k( 239) = ( 0.4951923 0.2858994 0.2198260), wk = 0.0035714 k( 240) = ( 0.4903846 0.2831237 0.2355279), wk = 0.0035714 k( 241) = ( 0.4855769 0.2803480 0.2512297), wk = 0.0035714 k( 242) = ( 0.4807692 0.2775722 0.2669316), wk = 0.0035714 k( 243) = ( 0.4759615 0.2747965 0.2826334), wk = 0.0035714 k( 244) = ( 0.4711538 0.2720208 0.2983353), wk = 0.0035714 k( 245) = ( 0.4663462 0.2692451 0.3140371), wk = 0.0035714 k( 246) = ( 0.4615385 0.2664694 0.3297390), wk = 0.0035714 k( 247) = ( 0.4567308 0.2636936 0.3454409), wk = 0.0035714 k( 248) = ( 0.4519231 0.2609179 0.3611427), wk = 0.0035714 k( 249) = ( 0.4471154 0.2581422 0.3768446), wk = 0.0035714 k( 250) = ( 0.4423077 0.2553665 0.3925464), wk = 0.0035714 k( 251) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0035714 k( 252) = ( 0.4326923 0.2498150 0.4239501), wk = 0.0035714 k( 253) = ( 0.4278846 0.2470393 0.4396520), wk = 0.0035714 k( 254) = ( 0.4230769 0.2442636 0.4553539), wk = 0.0035714 k( 255) = ( 0.4182692 0.2414879 0.4710557), wk = 0.0035714 k( 256) = ( 0.4134615 0.2387121 0.4867576), wk = 0.0035714 k( 257) = ( 0.4086538 0.2359364 0.5024594), wk = 0.0035714 k( 258) = ( 0.4038462 0.2331607 0.5181613), wk = 0.0035714 k( 259) = ( 0.3990385 0.2303850 0.5338632), wk = 0.0035714 k( 260) = ( 0.3942308 0.2276092 0.5495650), wk = 0.0035714 k( 261) = ( 0.3894231 0.2248335 0.5652669), wk = 0.0035714 k( 262) = ( 0.3846154 0.2220578 0.5809687), wk = 0.0035714 k( 263) = ( 0.3798077 0.2192821 0.5966706), wk = 0.0035714 k( 264) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035714 k( 265) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035714 k( 266) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0035714 k( 267) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0035714 k( 268) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0035714 k( 269) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0035714 k( 270) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0035714 k( 271) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0035714 k( 272) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0035714 k( 273) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0035714 k( 274) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0035714 k( 275) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0035714 k( 276) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0035714 k( 277) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0035714 k( 278) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0035714 k( 279) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0035714 k( 280) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0119048 0.0000000 0.0119048), wk = 0.0035714 k( 3) = ( 0.0238095 0.0000000 0.0238095), wk = 0.0035714 k( 4) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0035714 k( 5) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0035714 k( 6) = ( 0.0595238 -0.0000000 0.0595238), wk = 0.0035714 k( 7) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0035714 k( 8) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0035714 k( 9) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0035714 k( 10) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0035714 k( 11) = ( 0.1190476 -0.0000000 0.1190476), wk = 0.0035714 k( 12) = ( 0.1309524 0.0000000 0.1309524), wk = 0.0035714 k( 13) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0035714 k( 14) = ( 0.1547619 -0.0000000 0.1547619), wk = 0.0035714 k( 15) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0035714 k( 16) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0035714 k( 17) = ( 0.1904762 -0.0000000 0.1904762), wk = 0.0035714 k( 18) = ( 0.2023810 -0.0000000 0.2023810), wk = 0.0035714 k( 19) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0035714 k( 20) = ( 0.2261905 -0.0000000 0.2261905), wk = 0.0035714 k( 21) = ( 0.2380952 -0.0000000 0.2380952), wk = 0.0035714 k( 22) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0035714 k( 23) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0035714 k( 24) = ( 0.2738095 0.0000000 0.2738095), wk = 0.0035714 k( 25) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0035714 k( 26) = ( 0.2976190 -0.0000000 0.2976190), wk = 0.0035714 k( 27) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0035714 k( 28) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0035714 k( 29) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0035714 k( 30) = ( 0.3452381 -0.0000000 0.3452381), wk = 0.0035714 k( 31) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0035714 k( 32) = ( 0.3690476 -0.0000000 0.3690476), wk = 0.0035714 k( 33) = ( 0.3809524 -0.0000000 0.3809524), wk = 0.0035714 k( 34) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0035714 k( 35) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0035714 k( 36) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0035714 k( 37) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0035714 k( 38) = ( 0.4404762 -0.0000000 0.4404762), wk = 0.0035714 k( 39) = ( 0.4523810 -0.0000000 0.4523810), wk = 0.0035714 k( 40) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0035714 k( 41) = ( 0.4761905 -0.0000000 0.4761905), wk = 0.0035714 k( 42) = ( 0.4880952 -0.0000000 0.4880952), wk = 0.0035714 k( 43) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 45) = ( 0.5000000 0.0119048 0.5119048), wk = 0.0035714 k( 46) = ( 0.5000000 0.0238095 0.5238095), wk = 0.0035714 k( 47) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0035714 k( 48) = ( 0.5000000 0.0476190 0.5476190), wk = 0.0035714 k( 49) = ( 0.5000000 0.0595238 0.5595238), wk = 0.0035714 k( 50) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0035714 k( 51) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0035714 k( 52) = ( 0.5000000 0.0952381 0.5952381), wk = 0.0035714 k( 53) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0035714 k( 54) = ( 0.5000000 0.1190476 0.6190476), wk = 0.0035714 k( 55) = ( 0.5000000 0.1309524 0.6309524), wk = 0.0035714 k( 56) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0035714 k( 57) = ( 0.5000000 0.1547619 0.6547619), wk = 0.0035714 k( 58) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0035714 k( 59) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0035714 k( 60) = ( 0.5000000 0.1904762 0.6904762), wk = 0.0035714 k( 61) = ( 0.5000000 0.2023810 0.7023810), wk = 0.0035714 k( 62) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0035714 k( 63) = ( 0.5000000 0.2261905 0.7261905), wk = 0.0035714 k( 64) = ( 0.5000000 0.2380952 0.7380952), wk = 0.0035714 k( 65) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035714 k( 66) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035714 k( 67) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0035714 k( 68) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0035714 k( 69) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0035714 k( 70) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0035714 k( 71) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0035714 k( 72) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0035714 k( 73) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0035714 k( 74) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0035714 k( 75) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0035714 k( 76) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0035714 k( 77) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0035714 k( 78) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0035714 k( 79) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0035714 k( 80) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0035714 k( 81) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035714 k( 82) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035714 k( 83) = ( 0.3664773 0.3664773 0.7329545), wk = 0.0035714 k( 84) = ( 0.3579545 0.3579545 0.7159091), wk = 0.0035714 k( 85) = ( 0.3494318 0.3494318 0.6988636), wk = 0.0035714 k( 86) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0035714 k( 87) = ( 0.3323864 0.3323864 0.6647727), wk = 0.0035714 k( 88) = ( 0.3238636 0.3238636 0.6477273), wk = 0.0035714 k( 89) = ( 0.3153409 0.3153409 0.6306818), wk = 0.0035714 k( 90) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0035714 k( 91) = ( 0.2982955 0.2982955 0.5965909), wk = 0.0035714 k( 92) = ( 0.2897727 0.2897727 0.5795455), wk = 0.0035714 k( 93) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0035714 k( 94) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0035714 k( 95) = ( 0.2642045 0.2642046 0.5284091), wk = 0.0035714 k( 96) = ( 0.2556818 0.2556818 0.5113636), wk = 0.0035714 k( 97) = ( 0.2471591 0.2471591 0.4943182), wk = 0.0035714 k( 98) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0035714 k( 99) = ( 0.2301136 0.2301136 0.4602273), wk = 0.0035714 k( 100) = ( 0.2215909 0.2215909 0.4431818), wk = 0.0035714 k( 101) = ( 0.2130682 0.2130682 0.4261364), wk = 0.0035714 k( 102) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0035714 k( 103) = ( 0.1960227 0.1960227 0.3920455), wk = 0.0035714 k( 104) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0035714 k( 105) = ( 0.1789773 0.1789773 0.3579545), wk = 0.0035714 k( 106) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0035714 k( 107) = ( 0.1619318 0.1619318 0.3238636), wk = 0.0035714 k( 108) = ( 0.1534091 0.1534091 0.3068182), wk = 0.0035714 k( 109) = ( 0.1448864 0.1448864 0.2897727), wk = 0.0035714 k( 110) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0035714 k( 111) = ( 0.1278409 0.1278409 0.2556818), wk = 0.0035714 k( 112) = ( 0.1193182 0.1193182 0.2386364), wk = 0.0035714 k( 113) = ( 0.1107955 0.1107955 0.2215909), wk = 0.0035714 k( 114) = ( 0.1022727 0.1022727 0.2045455), wk = 0.0035714 k( 115) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0035714 k( 116) = ( 0.0852273 0.0852273 0.1704546), wk = 0.0035714 k( 117) = ( 0.0767045 0.0767045 0.1534091), wk = 0.0035714 k( 118) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0035714 k( 119) = ( 0.0596591 0.0596591 0.1193182), wk = 0.0035714 k( 120) = ( 0.0511364 0.0511364 0.1022727), wk = 0.0035714 k( 121) = ( 0.0426136 0.0426136 0.0852273), wk = 0.0035714 k( 122) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0035714 k( 123) = ( 0.0255682 0.0255682 0.0511364), wk = 0.0035714 k( 124) = ( 0.0170455 0.0170455 0.0340909), wk = 0.0035714 k( 125) = ( 0.0085227 0.0085227 0.0170455), wk = 0.0035714 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 128) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0035714 k( 129) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0035714 k( 130) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0035714 k( 131) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035714 k( 132) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0035714 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0035714 k( 134) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0035714 k( 135) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035714 k( 136) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035714 k( 137) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0035714 k( 138) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0035714 k( 139) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035714 k( 140) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0035714 k( 141) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0035714 k( 142) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0035714 k( 143) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035714 k( 144) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0035714 k( 145) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 146) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0035714 k( 147) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035714 k( 148) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0035714 k( 149) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0035714 k( 150) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0035714 k( 151) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035714 k( 152) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0035714 k( 153) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0035714 k( 154) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035714 k( 155) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035714 k( 156) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0035714 k( 157) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0035714 k( 158) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0035714 k( 159) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035714 k( 160) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0035714 k( 161) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0035714 k( 162) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0035714 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 164) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 165) = ( 0.5048077 0.4903846 0.5048077), wk = 0.0035714 k( 166) = ( 0.5096154 0.4807692 0.5096154), wk = 0.0035714 k( 167) = ( 0.5144231 0.4711539 0.5144231), wk = 0.0035714 k( 168) = ( 0.5192308 0.4615385 0.5192308), wk = 0.0035714 k( 169) = ( 0.5240385 0.4519231 0.5240385), wk = 0.0035714 k( 170) = ( 0.5288462 0.4423077 0.5288462), wk = 0.0035714 k( 171) = ( 0.5336538 0.4326923 0.5336538), wk = 0.0035714 k( 172) = ( 0.5384615 0.4230769 0.5384615), wk = 0.0035714 k( 173) = ( 0.5432692 0.4134615 0.5432692), wk = 0.0035714 k( 174) = ( 0.5480769 0.4038462 0.5480769), wk = 0.0035714 k( 175) = ( 0.5528846 0.3942308 0.5528846), wk = 0.0035714 k( 176) = ( 0.5576923 0.3846154 0.5576923), wk = 0.0035714 k( 177) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0035714 k( 178) = ( 0.5673077 0.3653846 0.5673077), wk = 0.0035714 k( 179) = ( 0.5721154 0.3557692 0.5721154), wk = 0.0035714 k( 180) = ( 0.5769231 0.3461538 0.5769231), wk = 0.0035714 k( 181) = ( 0.5817308 0.3365385 0.5817308), wk = 0.0035714 k( 182) = ( 0.5865385 0.3269231 0.5865385), wk = 0.0035714 k( 183) = ( 0.5913462 0.3173077 0.5913462), wk = 0.0035714 k( 184) = ( 0.5961538 0.3076923 0.5961539), wk = 0.0035714 k( 185) = ( 0.6009615 0.2980769 0.6009615), wk = 0.0035714 k( 186) = ( 0.6057692 0.2884615 0.6057692), wk = 0.0035714 k( 187) = ( 0.6105769 0.2788462 0.6105769), wk = 0.0035714 k( 188) = ( 0.6153846 0.2692308 0.6153846), wk = 0.0035714 k( 189) = ( 0.6201923 0.2596154 0.6201923), wk = 0.0035714 k( 190) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035714 k( 191) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035714 k( 192) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0035714 k( 193) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0035714 k( 194) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0035714 k( 195) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0035714 k( 196) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0035714 k( 197) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0035714 k( 198) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0035714 k( 199) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0035714 k( 200) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0035714 k( 201) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0035714 k( 202) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0035714 k( 203) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0035714 k( 204) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0035714 k( 205) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0035714 k( 206) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035714 k( 207) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035714 k( 208) = ( 0.5000000 0.2583333 0.7416667), wk = 0.0035714 k( 209) = ( 0.5000000 0.2666667 0.7333333), wk = 0.0035714 k( 210) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0035714 k( 211) = ( 0.5000000 0.2833333 0.7166667), wk = 0.0035714 k( 212) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0035714 k( 213) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0035714 k( 214) = ( 0.5000000 0.3083333 0.6916667), wk = 0.0035714 k( 215) = ( 0.5000000 0.3166667 0.6833333), wk = 0.0035714 k( 216) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0035714 k( 217) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0035714 k( 218) = ( 0.5000000 0.3416667 0.6583333), wk = 0.0035714 k( 219) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0035714 k( 220) = ( 0.5000000 0.3583333 0.6416667), wk = 0.0035714 k( 221) = ( 0.5000000 0.3666667 0.6333333), wk = 0.0035714 k( 222) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0035714 k( 223) = ( 0.5000000 0.3833333 0.6166667), wk = 0.0035714 k( 224) = ( 0.5000000 0.3916667 0.6083333), wk = 0.0035714 k( 225) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0035714 k( 226) = ( 0.5000000 0.4083333 0.5916667), wk = 0.0035714 k( 227) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0035714 k( 228) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0035714 k( 229) = ( 0.5000000 0.4333333 0.5666667), wk = 0.0035714 k( 230) = ( 0.5000000 0.4416667 0.5583333), wk = 0.0035714 k( 231) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0035714 k( 232) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0035714 k( 233) = ( 0.5000000 0.4666667 0.5333333), wk = 0.0035714 k( 234) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0035714 k( 235) = ( 0.5000000 0.4833333 0.5166667), wk = 0.0035714 k( 236) = ( 0.5000000 0.4916667 0.5083333), wk = 0.0035714 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 239) = ( 0.4951923 0.4951923 0.5096154), wk = 0.0035714 k( 240) = ( 0.4903846 0.4903846 0.5192308), wk = 0.0035714 k( 241) = ( 0.4855769 0.4855769 0.5288462), wk = 0.0035714 k( 242) = ( 0.4807692 0.4807692 0.5384615), wk = 0.0035714 k( 243) = ( 0.4759615 0.4759615 0.5480769), wk = 0.0035714 k( 244) = ( 0.4711538 0.4711538 0.5576923), wk = 0.0035714 k( 245) = ( 0.4663462 0.4663462 0.5673077), wk = 0.0035714 k( 246) = ( 0.4615385 0.4615385 0.5769231), wk = 0.0035714 k( 247) = ( 0.4567308 0.4567308 0.5865385), wk = 0.0035714 k( 248) = ( 0.4519231 0.4519231 0.5961539), wk = 0.0035714 k( 249) = ( 0.4471154 0.4471154 0.6057692), wk = 0.0035714 k( 250) = ( 0.4423077 0.4423077 0.6153846), wk = 0.0035714 k( 251) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0035714 k( 252) = ( 0.4326923 0.4326923 0.6346154), wk = 0.0035714 k( 253) = ( 0.4278846 0.4278846 0.6442308), wk = 0.0035714 k( 254) = ( 0.4230769 0.4230769 0.6538462), wk = 0.0035714 k( 255) = ( 0.4182692 0.4182692 0.6634615), wk = 0.0035714 k( 256) = ( 0.4134615 0.4134615 0.6730769), wk = 0.0035714 k( 257) = ( 0.4086538 0.4086538 0.6826923), wk = 0.0035714 k( 258) = ( 0.4038462 0.4038462 0.6923077), wk = 0.0035714 k( 259) = ( 0.3990385 0.3990385 0.7019231), wk = 0.0035714 k( 260) = ( 0.3942308 0.3942308 0.7115385), wk = 0.0035714 k( 261) = ( 0.3894231 0.3894231 0.7211538), wk = 0.0035714 k( 262) = ( 0.3846154 0.3846154 0.7307692), wk = 0.0035714 k( 263) = ( 0.3798077 0.3798077 0.7403846), wk = 0.0035714 k( 264) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035714 k( 265) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035714 k( 266) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0035714 k( 267) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0035714 k( 268) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0035714 k( 269) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0035714 k( 270) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0035714 k( 271) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0035714 k( 272) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0035714 k( 273) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0035714 k( 274) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0035714 k( 275) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0035714 k( 276) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0035714 k( 277) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0035714 k( 278) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0035714 k( 279) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0035714 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 Dense grid: 112771 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 104579 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.63 Mb ( 732, 56) NL pseudopotentials 0.92 Mb ( 366, 164) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3132) G-vector shells 0.01 Mb ( 695) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.50 Mb ( 732, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.28 Mb ( 164, 2, 56) The potential is recalculated from file : ./LiPt2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.6 secs Computing kpt #: 5 total cpu time spent up to now is 11.3 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 14.4 secs Computing kpt #: 8 total cpu time spent up to now is 15.9 secs Computing kpt #: 9 total cpu time spent up to now is 17.5 secs Computing kpt #: 10 total cpu time spent up to now is 18.8 secs Computing kpt #: 11 total cpu time spent up to now is 20.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.5 secs Computing kpt #: 13 total cpu time spent up to now is 22.8 secs Computing kpt #: 14 total cpu time spent up to now is 24.1 secs Computing kpt #: 15 total cpu time spent up to now is 25.4 secs Computing kpt #: 16 total cpu time spent up to now is 26.7 secs Computing kpt #: 17 total cpu time spent up to now is 27.9 secs Computing kpt #: 18 total cpu time spent up to now is 29.1 secs Computing kpt #: 19 total cpu time spent up to now is 30.4 secs Computing kpt #: 20 total cpu time spent up to now is 31.6 secs Computing kpt #: 21 total cpu time spent up to now is 32.8 secs Computing kpt #: 22 total cpu time spent up to now is 34.0 secs Computing kpt #: 23 total cpu time spent up to now is 35.2 secs Computing kpt #: 24 total cpu time spent up to now is 36.4 secs Computing kpt #: 25 total cpu time spent up to now is 37.6 secs Computing kpt #: 26 total cpu time spent up to now is 38.8 secs Computing kpt #: 27 total cpu time spent up to now is 39.9 secs Computing kpt #: 28 total cpu time spent up to now is 41.1 secs Computing kpt #: 29 total cpu time spent up to now is 42.2 secs Computing kpt #: 30 total cpu time spent up to now is 43.4 secs Computing kpt #: 31 total cpu time spent up to now is 44.6 secs Computing kpt #: 32 total cpu time spent up to now is 45.7 secs Computing kpt #: 33 total cpu time spent up to now is 46.9 secs Computing kpt #: 34 total cpu time spent up to now is 48.0 secs Computing kpt #: 35 total cpu time spent up to now is 49.1 secs Computing kpt #: 36 total cpu time spent up to now is 50.3 secs Computing kpt #: 37 total cpu time spent up to now is 51.4 secs Computing kpt #: 38 total cpu time spent up to now is 52.5 secs Computing kpt #: 39 total cpu time spent up to now is 53.6 secs Computing kpt #: 40 total cpu time spent up to now is 54.8 secs Computing kpt #: 41 total cpu time spent up to now is 55.9 secs Computing kpt #: 42 total cpu time spent up to now is 57.0 secs Computing kpt #: 43 total cpu time spent up to now is 58.1 secs Computing kpt #: 44 total cpu time spent up to now is 59.2 secs Computing kpt #: 45 total cpu time spent up to now is 60.4 secs Computing kpt #: 46 total cpu time spent up to now is 61.5 secs Computing kpt #: 47 total cpu time spent up to now is 62.6 secs Computing kpt #: 48 total cpu time spent up to now is 63.8 secs Computing kpt #: 49 total cpu time spent up to now is 64.9 secs Computing kpt #: 50 total cpu time spent up to now is 66.0 secs Computing kpt #: 51 total cpu time spent up to now is 67.2 secs Computing kpt #: 52 total cpu time spent up to now is 68.4 secs Computing kpt #: 53 total cpu time spent up to now is 69.6 secs Computing kpt #: 54 total cpu time spent up to now is 70.7 secs Computing kpt #: 55 total cpu time spent up to now is 71.9 secs Computing kpt #: 56 total cpu time spent up to now is 73.1 secs Computing kpt #: 57 total cpu time spent up to now is 74.4 secs Computing kpt #: 58 total cpu time spent up to now is 75.6 secs Computing kpt #: 59 total cpu time spent up to now is 76.9 secs Computing kpt #: 60 total cpu time spent up to now is 78.3 secs Computing kpt #: 61 total cpu time spent up to now is 79.7 secs Computing kpt #: 62 total cpu time spent up to now is 81.1 secs Computing kpt #: 63 total cpu time spent up to now is 82.5 secs Computing kpt #: 64 total cpu time spent up to now is 84.0 secs Computing kpt #: 65 total cpu time spent up to now is 85.4 secs Computing kpt #: 66 total cpu time spent up to now is 86.8 secs Computing kpt #: 67 total cpu time spent up to now is 88.2 secs Computing kpt #: 68 total cpu time spent up to now is 89.7 secs Computing kpt #: 69 total cpu time spent up to now is 91.1 secs Computing kpt #: 70 total cpu time spent up to now is 92.5 secs Computing kpt #: 71 total cpu time spent up to now is 94.0 secs Computing kpt #: 72 total cpu time spent up to now is 95.4 secs Computing kpt #: 73 total cpu time spent up to now is 96.9 secs Computing kpt #: 74 total cpu time spent up to now is 98.3 secs Computing kpt #: 75 total cpu time spent up to now is 99.7 secs Computing kpt #: 76 total cpu time spent up to now is 101.2 secs Computing kpt #: 77 total cpu time spent up to now is 102.6 secs Computing kpt #: 78 total cpu time spent up to now is 104.0 secs Computing kpt #: 79 total cpu time spent up to now is 105.4 secs Computing kpt #: 80 total cpu time spent up to now is 106.8 secs Computing kpt #: 81 total cpu time spent up to now is 108.0 secs Computing kpt #: 82 total cpu time spent up to now is 109.3 secs Computing kpt #: 83 total cpu time spent up to now is 110.7 secs Computing kpt #: 84 total cpu time spent up to now is 112.1 secs Computing kpt #: 85 total cpu time spent up to now is 113.5 secs Computing kpt #: 86 total cpu time spent up to now is 115.0 secs Computing kpt #: 87 total cpu time spent up to now is 116.6 secs Computing kpt #: 88 total cpu time spent up to now is 118.2 secs Computing kpt #: 89 total cpu time spent up to now is 120.1 secs Computing kpt #: 90 total cpu time spent up to now is 122.3 secs Computing kpt #: 91 total cpu time spent up to now is 124.2 secs Computing kpt #: 92 total cpu time spent up to now is 126.0 secs Computing kpt #: 93 total cpu time spent up to now is 127.7 secs Computing kpt #: 94 total cpu time spent up to now is 129.2 secs Computing kpt #: 95 total cpu time spent up to now is 130.8 secs Computing kpt #: 96 total cpu time spent up to now is 132.3 secs Computing kpt #: 97 total cpu time spent up to now is 133.8 secs Computing kpt #: 98 total cpu time spent up to now is 135.2 secs Computing kpt #: 99 total cpu time spent up to now is 136.7 secs Computing kpt #: 100 total cpu time spent up to now is 138.1 secs Computing kpt #: 101 total cpu time spent up to now is 139.6 secs Computing kpt #: 102 total cpu time spent up to now is 141.1 secs Computing kpt #: 103 total cpu time spent up to now is 142.4 secs Computing kpt #: 104 total cpu time spent up to now is 143.7 secs Computing kpt #: 105 total cpu time spent up to now is 145.0 secs Computing kpt #: 106 total cpu time spent up to now is 146.4 secs Computing kpt #: 107 total cpu time spent up to now is 147.7 secs Computing kpt #: 108 total cpu time spent up to now is 149.0 secs Computing kpt #: 109 total cpu time spent up to now is 150.3 secs Computing kpt #: 110 total cpu time spent up to now is 151.8 secs Computing kpt #: 111 total cpu time spent up to now is 153.3 secs Computing kpt #: 112 total cpu time spent up to now is 154.8 secs Computing kpt #: 113 total cpu time spent up to now is 156.3 secs Computing kpt #: 114 total cpu time spent up to now is 157.8 secs Computing kpt #: 115 total cpu time spent up to now is 159.3 secs Computing kpt #: 116 total cpu time spent up to now is 160.8 secs Computing kpt #: 117 total cpu time spent up to now is 162.4 secs Computing kpt #: 118 total cpu time spent up to now is 163.9 secs Computing kpt #: 119 total cpu time spent up to now is 165.5 secs Computing kpt #: 120 total cpu time spent up to now is 167.1 secs Computing kpt #: 121 total cpu time spent up to now is 168.7 secs Computing kpt #: 122 total cpu time spent up to now is 170.4 secs Computing kpt #: 123 total cpu time spent up to now is 172.4 secs Computing kpt #: 124 total cpu time spent up to now is 174.7 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.7 secs Computing kpt #: 126 total cpu time spent up to now is 179.2 secs Computing kpt #: 127 total cpu time spent up to now is 180.7 secs Computing kpt #: 128 total cpu time spent up to now is 182.1 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.6 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.6 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.7 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 134 total cpu time spent up to now is 200.8 secs Computing kpt #: 135 total cpu time spent up to now is 203.1 secs Computing kpt #: 136 total cpu time spent up to now is 205.7 secs Computing kpt #: 137 total cpu time spent up to now is 207.4 secs Computing kpt #: 138 total cpu time spent up to now is 209.1 secs Computing kpt #: 139 total cpu time spent up to now is 210.7 secs Computing kpt #: 140 total cpu time spent up to now is 212.3 secs Computing kpt #: 141 total cpu time spent up to now is 213.9 secs Computing kpt #: 142 total cpu time spent up to now is 215.5 secs Computing kpt #: 143 total cpu time spent up to now is 217.0 secs Computing kpt #: 144 total cpu time spent up to now is 218.5 secs Computing kpt #: 145 total cpu time spent up to now is 220.0 secs Computing kpt #: 146 total cpu time spent up to now is 221.6 secs Computing kpt #: 147 total cpu time spent up to now is 223.0 secs Computing kpt #: 148 total cpu time spent up to now is 224.5 secs Computing kpt #: 149 total cpu time spent up to now is 226.0 secs Computing kpt #: 150 total cpu time spent up to now is 227.5 secs Computing kpt #: 151 total cpu time spent up to now is 228.8 secs Computing kpt #: 152 total cpu time spent up to now is 230.2 secs Computing kpt #: 153 total cpu time spent up to now is 231.6 secs Computing kpt #: 154 total cpu time spent up to now is 232.9 secs Computing kpt #: 155 total cpu time spent up to now is 234.3 secs Computing kpt #: 156 total cpu time spent up to now is 235.6 secs Computing kpt #: 157 total cpu time spent up to now is 236.9 secs Computing kpt #: 158 total cpu time spent up to now is 238.2 secs Computing kpt #: 159 total cpu time spent up to now is 239.4 secs Computing kpt #: 160 total cpu time spent up to now is 240.7 secs Computing kpt #: 161 total cpu time spent up to now is 241.9 secs Computing kpt #: 162 total cpu time spent up to now is 243.1 secs Computing kpt #: 163 total cpu time spent up to now is 244.4 secs Computing kpt #: 164 total cpu time spent up to now is 245.6 secs Computing kpt #: 165 total cpu time spent up to now is 246.8 secs Computing kpt #: 166 total cpu time spent up to now is 248.1 secs Computing kpt #: 167 total cpu time spent up to now is 249.4 secs Computing kpt #: 168 total cpu time spent up to now is 250.6 secs Computing kpt #: 169 total cpu time spent up to now is 252.1 secs Computing kpt #: 170 total cpu time spent up to now is 253.5 secs Computing kpt #: 171 total cpu time spent up to now is 254.9 secs Computing kpt #: 172 total cpu time spent up to now is 256.4 secs Computing kpt #: 173 total cpu time spent up to now is 257.8 secs Computing kpt #: 174 total cpu time spent up to now is 259.3 secs Computing kpt #: 175 total cpu time spent up to now is 260.8 secs Computing kpt #: 176 total cpu time spent up to now is 262.3 secs Computing kpt #: 177 total cpu time spent up to now is 263.8 secs Computing kpt #: 178 total cpu time spent up to now is 265.4 secs Computing kpt #: 179 total cpu time spent up to now is 267.0 secs Computing kpt #: 180 total cpu time spent up to now is 268.9 secs Computing kpt #: 181 total cpu time spent up to now is 271.1 secs Computing kpt #: 182 total cpu time spent up to now is 273.0 secs Computing kpt #: 183 total cpu time spent up to now is 274.6 secs Computing kpt #: 184 total cpu time spent up to now is 276.1 secs Computing kpt #: 185 total cpu time spent up to now is 277.5 secs Computing kpt #: 186 total cpu time spent up to now is 279.0 secs Computing kpt #: 187 total cpu time spent up to now is 280.4 secs Computing kpt #: 188 total cpu time spent up to now is 281.8 secs Computing kpt #: 189 total cpu time spent up to now is 283.2 secs Computing kpt #: 190 total cpu time spent up to now is 284.4 secs Computing kpt #: 191 total cpu time spent up to now is 285.7 secs Computing kpt #: 192 total cpu time spent up to now is 286.9 secs Computing kpt #: 193 total cpu time spent up to now is 288.3 secs Computing kpt #: 194 total cpu time spent up to now is 289.7 secs Computing kpt #: 195 total cpu time spent up to now is 291.1 secs Computing kpt #: 196 total cpu time spent up to now is 292.6 secs Computing kpt #: 197 total cpu time spent up to now is 294.0 secs Computing kpt #: 198 total cpu time spent up to now is 295.4 secs Computing kpt #: 199 total cpu time spent up to now is 296.9 secs Computing kpt #: 200 total cpu time spent up to now is 298.3 secs Computing kpt #: 201 total cpu time spent up to now is 299.7 secs Computing kpt #: 202 total cpu time spent up to now is 301.2 secs Computing kpt #: 203 total cpu time spent up to now is 302.6 secs Computing kpt #: 204 total cpu time spent up to now is 304.1 secs Computing kpt #: 205 total cpu time spent up to now is 305.5 secs Computing kpt #: 206 total cpu time spent up to now is 306.9 secs Computing kpt #: 207 total cpu time spent up to now is 308.3 secs Computing kpt #: 208 total cpu time spent up to now is 309.8 secs Computing kpt #: 209 total cpu time spent up to now is 311.2 secs Computing kpt #: 210 total cpu time spent up to now is 312.7 secs Computing kpt #: 211 total cpu time spent up to now is 314.1 secs Computing kpt #: 212 total cpu time spent up to now is 315.6 secs Computing kpt #: 213 total cpu time spent up to now is 317.1 secs Computing kpt #: 214 total cpu time spent up to now is 318.6 secs Computing kpt #: 215 total cpu time spent up to now is 320.1 secs Computing kpt #: 216 total cpu time spent up to now is 321.6 secs Computing kpt #: 217 total cpu time spent up to now is 323.1 secs Computing kpt #: 218 total cpu time spent up to now is 324.5 secs Computing kpt #: 219 total cpu time spent up to now is 326.0 secs Computing kpt #: 220 total cpu time spent up to now is 327.4 secs Computing kpt #: 221 total cpu time spent up to now is 328.9 secs Computing kpt #: 222 total cpu time spent up to now is 330.3 secs Computing kpt #: 223 total cpu time spent up to now is 331.8 secs Computing kpt #: 224 total cpu time spent up to now is 333.2 secs Computing kpt #: 225 total cpu time spent up to now is 334.6 secs Computing kpt #: 226 total cpu time spent up to now is 336.0 secs Computing kpt #: 227 total cpu time spent up to now is 337.3 secs Computing kpt #: 228 total cpu time spent up to now is 338.5 secs Computing kpt #: 229 total cpu time spent up to now is 339.8 secs Computing kpt #: 230 total cpu time spent up to now is 341.1 secs Computing kpt #: 231 total cpu time spent up to now is 342.5 secs Computing kpt #: 232 total cpu time spent up to now is 343.8 secs Computing kpt #: 233 total cpu time spent up to now is 345.1 secs Computing kpt #: 234 total cpu time spent up to now is 346.4 secs Computing kpt #: 235 total cpu time spent up to now is 347.6 secs Computing kpt #: 236 total cpu time spent up to now is 348.8 secs Computing kpt #: 237 total cpu time spent up to now is 350.1 secs Computing kpt #: 238 total cpu time spent up to now is 351.3 secs Computing kpt #: 239 total cpu time spent up to now is 352.5 secs Computing kpt #: 240 total cpu time spent up to now is 353.8 secs Computing kpt #: 241 total cpu time spent up to now is 355.0 secs Computing kpt #: 242 total cpu time spent up to now is 356.3 secs Computing kpt #: 243 total cpu time spent up to now is 357.7 secs Computing kpt #: 244 total cpu time spent up to now is 359.2 secs Computing kpt #: 245 total cpu time spent up to now is 360.6 secs Computing kpt #: 246 total cpu time spent up to now is 362.1 secs Computing kpt #: 247 total cpu time spent up to now is 363.5 secs Computing kpt #: 248 total cpu time spent up to now is 365.2 secs Computing kpt #: 249 total cpu time spent up to now is 366.6 secs Computing kpt #: 250 total cpu time spent up to now is 368.1 secs Computing kpt #: 251 total cpu time spent up to now is 369.6 secs Computing kpt #: 252 total cpu time spent up to now is 371.2 secs Computing kpt #: 253 total cpu time spent up to now is 372.9 secs Computing kpt #: 254 total cpu time spent up to now is 374.8 secs Computing kpt #: 255 total cpu time spent up to now is 377.0 secs Computing kpt #: 256 total cpu time spent up to now is 378.8 secs Computing kpt #: 257 total cpu time spent up to now is 380.3 secs Computing kpt #: 258 total cpu time spent up to now is 381.9 secs Computing kpt #: 259 total cpu time spent up to now is 383.3 secs Computing kpt #: 260 total cpu time spent up to now is 384.8 secs Computing kpt #: 261 total cpu time spent up to now is 386.2 secs Computing kpt #: 262 total cpu time spent up to now is 387.6 secs Computing kpt #: 263 total cpu time spent up to now is 389.0 secs Computing kpt #: 264 total cpu time spent up to now is 390.3 secs Computing kpt #: 265 total cpu time spent up to now is 391.5 secs Computing kpt #: 266 total cpu time spent up to now is 392.7 secs Computing kpt #: 267 total cpu time spent up to now is 394.0 secs Computing kpt #: 268 total cpu time spent up to now is 395.2 secs Computing kpt #: 269 total cpu time spent up to now is 396.4 secs Computing kpt #: 270 total cpu time spent up to now is 397.5 secs Computing kpt #: 271 total cpu time spent up to now is 398.7 secs Computing kpt #: 272 total cpu time spent up to now is 400.1 secs Computing kpt #: 273 total cpu time spent up to now is 401.3 secs Computing kpt #: 274 total cpu time spent up to now is 402.4 secs Computing kpt #: 275 total cpu time spent up to now is 403.6 secs Computing kpt #: 276 total cpu time spent up to now is 404.7 secs Computing kpt #: 277 total cpu time spent up to now is 405.8 secs Computing kpt #: 278 total cpu time spent up to now is 406.9 secs Computing kpt #: 279 total cpu time spent up to now is 408.1 secs Computing kpt #: 280 total cpu time spent up to now is 409.2 secs ethr = 2.17E-08, avg # of iterations = 26.2 total cpu time spent up to now is 409.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7171 0.7171 3.6163 3.6163 3.6353 3.6353 3.6353 3.6353 3.6862 3.6862 4.6952 4.6952 4.6952 4.6952 4.9801 4.9801 4.9802 4.9802 5.6201 5.6201 7.8781 7.8781 7.8781 7.8781 7.9499 7.9499 7.9499 7.9499 8.1352 8.1352 8.5744 8.5744 8.7523 8.7523 8.7523 8.7523 10.1762 10.1762 10.2038 10.2038 10.4739 10.4739 10.4739 10.4739 10.7765 10.7765 10.7765 10.7765 10.9301 10.9301 13.9532 13.9532 k = 0.0119-0.0069 0.0097 ( 13127 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7188 0.7188 3.6171 3.6171 3.6359 3.6359 3.6365 3.6365 3.6874 3.6874 4.6953 4.6953 4.6962 4.6962 4.9807 4.9807 4.9809 4.9809 5.6208 5.6208 7.8764 7.8764 7.8773 7.8773 7.9484 7.9484 7.9492 7.9492 8.1334 8.1334 8.5733 8.5733 8.7498 8.7498 8.7511 8.7511 10.1673 10.1673 10.2000 10.2000 10.4471 10.4471 10.4686 10.4686 10.7820 10.7820 10.8000 10.8000 10.9341 10.9341 13.9402 13.9402 k = 0.0238-0.0137 0.0194 ( 13175 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7237 0.7237 3.6196 3.6196 3.6376 3.6376 3.6401 3.6401 3.6909 3.6909 4.6957 4.6957 4.6994 4.6994 4.9822 4.9822 4.9832 4.9832 5.6230 5.6230 7.8714 7.8714 7.8748 7.8748 7.9439 7.9439 7.9473 7.9473 8.1281 8.1281 8.5698 8.5698 8.7423 8.7423 8.7475 8.7475 10.1419 10.1419 10.1886 10.1886 10.3824 10.3824 10.4531 10.4531 10.7976 10.7976 10.8546 10.8546 10.9459 10.9459 13.9023 13.9023 k = 0.0357-0.0206 0.0292 ( 13159 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7319 0.7319 3.6231 3.6231 3.6411 3.6411 3.6460 3.6460 3.6967 3.6967 4.6964 4.6964 4.7047 4.7047 4.9847 4.9847 4.9870 4.9870 5.6266 5.6266 7.8630 7.8630 7.8704 7.8704 7.9363 7.9363 7.9441 7.9441 8.1194 8.1194 8.5639 8.5639 8.7301 8.7301 8.7417 8.7417 10.1025 10.1025 10.1694 10.1694 10.3000 10.3000 10.4283 10.4283 10.8204 10.8204 10.9207 10.9207 10.9647 10.9647 13.8422 13.8422 k = 0.0476-0.0275 0.0389 ( 13147 PWs) bands (ev): -36.7540 -36.7540 -36.7492 -36.7492 0.7433 0.7433 3.6269 3.6269 3.6469 3.6469 3.6543 3.6543 3.7049 3.7049 4.6974 4.6974 4.7121 4.7121 4.9883 4.9883 4.9923 4.9923 5.6317 5.6317 7.8511 7.8511 7.8638 7.8638 7.9256 7.9256 7.9397 7.9397 8.1077 8.1077 8.5558 8.5558 8.7132 8.7132 8.7340 8.7340 10.0523 10.0523 10.1410 10.1410 10.2101 10.2101 10.3952 10.3952 10.8478 10.8478 10.9893 10.9893 10.9893 10.9893 13.7635 13.7635 k = 0.0595-0.0344 0.0486 ( 13139 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7580 0.7580 3.6306 3.6306 3.6557 3.6557 3.6650 3.6650 3.7154 3.7154 4.6986 4.6986 4.7216 4.7216 4.9928 4.9928 4.9991 4.9991 5.6383 5.6383 7.8358 7.8358 7.8544 7.8544 7.9117 7.9117 7.9340 7.9340 8.0933 8.0933 8.5453 8.5453 8.6922 8.6922 8.7245 8.7245 9.9940 9.9940 10.0905 10.0905 10.1297 10.1297 10.3549 10.3549 10.8774 10.8774 11.0183 11.0183 11.0570 11.0570 13.6704 13.6704 k = 0.0714-0.0412 0.0583 ( 13139 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7759 0.7759 3.6340 3.6340 3.6674 3.6674 3.6780 3.6780 3.7283 3.7283 4.7002 4.7002 4.7331 4.7331 4.9983 4.9983 5.0073 5.0073 5.6463 5.6463 7.8169 7.8169 7.8408 7.8408 7.8955 7.8955 7.9272 7.9272 8.0770 8.0770 8.5326 8.5326 8.6672 8.6672 8.7137 8.7137 9.9298 9.9298 9.9987 9.9987 10.0799 10.0799 10.3082 10.3082 10.9082 10.9082 11.0506 11.0506 11.1221 11.1221 13.5668 13.5668 k = 0.0833-0.0481 0.0680 ( 13155 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7971 0.7971 3.6374 3.6374 3.6819 3.6819 3.6934 3.6934 3.7434 3.7434 4.7020 4.7020 4.7468 4.7468 5.0048 5.0048 5.0171 5.0171 5.6557 5.6557 7.7946 7.7946 7.8207 7.8207 7.8783 7.8783 7.9190 7.9190 8.0594 8.0594 8.5177 8.5177 8.6389 8.6389 8.7019 8.7019 9.8613 9.8613 9.8953 9.8953 10.0319 10.0319 10.2560 10.2560 10.9392 10.9392 11.0846 11.0846 11.1838 11.1838 13.4560 13.4560 k = 0.0952-0.0550 0.0778 ( 13111 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8215 0.8215 3.6407 3.6407 3.6989 3.6989 3.7111 3.7111 3.7608 3.7608 4.7042 4.7042 4.7625 4.7625 5.0123 5.0123 5.0283 5.0283 5.6666 5.6666 7.7688 7.7688 7.7921 7.7921 7.8617 7.8617 7.9096 7.9096 8.0411 8.0411 8.5007 8.5007 8.6074 8.6074 8.6894 8.6894 9.7883 9.7883 9.7897 9.7897 9.9787 9.9787 10.1989 10.1989 10.9702 10.9702 11.1195 11.1195 11.2418 11.2418 13.3411 13.3411 k = 0.1071-0.0619 0.0875 ( 13119 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8490 0.8490 3.6443 3.6443 3.7183 3.7183 3.7311 3.7311 3.7805 3.7805 4.7067 4.7067 4.7802 4.7802 5.0208 5.0208 5.0409 5.0409 5.6790 5.6790 7.7397 7.7397 7.7541 7.7541 7.8460 7.8460 7.8986 7.8986 8.0226 8.0226 8.4815 8.4815 8.5734 8.5734 8.6766 8.6766 9.6791 9.6791 9.7160 9.7160 9.9198 9.9198 10.1376 10.1376 11.0010 11.0010 11.1542 11.1542 11.2957 11.2957 13.2245 13.2245 k = 0.1190-0.0687 0.0972 ( 13115 PWs) bands (ev): -36.7539 -36.7539 -36.7494 -36.7494 0.8797 0.8797 3.6479 3.6479 3.7401 3.7401 3.7534 3.7534 3.8024 3.8024 4.7096 4.7096 4.7999 4.7999 5.0302 5.0302 5.0549 5.0549 5.6928 5.6928 7.7073 7.7073 7.7075 7.7075 7.8303 7.8303 7.8861 7.8861 8.0042 8.0042 8.4603 8.4603 8.5371 8.5371 8.6635 8.6635 9.5682 9.5682 9.6408 9.6408 9.8550 9.8550 10.0727 10.0727 11.0313 11.0313 11.1883 11.1883 11.3456 11.3456 13.1082 13.1082 k = 0.1310-0.0756 0.1069 ( 13107 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9136 0.9136 3.6517 3.6517 3.7641 3.7641 3.7779 3.7779 3.8266 3.8266 4.7128 4.7128 4.8216 4.8216 5.0405 5.0405 5.0703 5.0703 5.7080 5.7080 7.6530 7.6530 7.6718 7.6718 7.8141 7.8141 7.8718 7.8718 7.9858 7.9858 8.4372 8.4372 8.4990 8.4990 8.6503 8.6503 9.4561 9.4561 9.5647 9.5647 9.7847 9.7847 10.0049 10.0049 11.0612 11.0612 11.2212 11.2212 11.3913 11.3913 12.9938 12.9938 k = 0.1429-0.0825 0.1166 ( 13099 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9506 0.9506 3.6556 3.6556 3.7903 3.7903 3.8046 3.8046 3.8529 3.8529 4.7165 4.7165 4.8452 4.8452 5.0518 5.0518 5.0871 5.0871 5.7247 5.7247 7.5915 7.5915 7.6334 7.6334 7.7969 7.7969 7.8554 7.8554 7.9676 7.9676 8.4121 8.4121 8.4595 8.4595 8.6371 8.6371 9.3433 9.3433 9.4882 9.4882 9.7091 9.7091 9.9347 9.9347 11.0903 11.0903 11.2527 11.2527 11.4330 11.4330 12.8826 12.8826 k = 0.1548-0.0894 0.1264 ( 13099 PWs) bands (ev): -36.7538 -36.7538 -36.7495 -36.7495 0.9907 0.9907 3.6595 3.6595 3.8187 3.8187 3.8336 3.8336 3.8814 3.8814 4.7206 4.7206 4.8707 4.8707 5.0640 5.0640 5.1051 5.1051 5.7429 5.7429 7.5235 7.5235 7.5922 7.5922 7.7784 7.7784 7.8369 7.8369 7.9493 7.9493 8.3849 8.3849 8.4192 8.4192 8.6237 8.6237 9.2302 9.2302 9.4118 9.4118 9.6285 9.6285 9.8626 9.8626 11.1185 11.1185 11.2827 11.2827 11.4707 11.4707 12.7756 12.7756 k = 0.1667-0.0962 0.1361 ( 13083 PWs) bands (ev): -36.7537 -36.7537 -36.7495 -36.7495 1.0338 1.0338 3.6633 3.6633 3.8492 3.8492 3.8647 3.8647 3.9120 3.9120 4.7252 4.7252 4.8980 4.8980 5.0771 5.0771 5.1244 5.1244 5.7624 5.7624 7.4498 7.4498 7.5485 7.5485 7.7585 7.7585 7.8158 7.8158 7.9308 7.9308 8.3547 8.3547 8.3794 8.3794 8.6099 8.6099 9.1173 9.1173 9.3356 9.3356 9.5435 9.5435 9.7894 9.7894 11.1456 11.1456 11.3110 11.3110 11.5045 11.5045 12.6734 12.6734 k = 0.1786-0.1031 0.1458 ( 13083 PWs) bands (ev): -36.7537 -36.7537 -36.7496 -36.7496 1.0799 1.0799 3.6671 3.6671 3.8818 3.8818 3.8978 3.8978 3.9447 3.9447 4.7304 4.7304 4.9271 4.9271 5.0912 5.0912 5.1449 5.1449 5.7834 5.7834 7.3710 7.3710 7.5024 7.5024 7.7370 7.7370 7.7919 7.7919 7.9119 7.9119 8.3193 8.3193 8.3428 8.3428 8.5950 8.5950 9.0057 9.0057 9.2599 9.2599 9.4544 9.4544 9.7154 9.7154 11.1717 11.1717 11.3378 11.3378 11.5346 11.5346 12.5767 12.5767 k = 0.1905-0.1100 0.1555 ( 13075 PWs) bands (ev): -36.7536 -36.7536 -36.7496 -36.7496 1.1289 1.1289 3.6707 3.6707 3.9164 3.9164 3.9331 3.9331 3.9794 3.9794 4.7363 4.7363 4.9579 4.9579 5.1062 5.1062 5.1666 5.1666 5.8057 5.8057 7.2876 7.2876 7.4542 7.4542 7.7140 7.7140 7.7648 7.7648 7.8925 7.8925 8.2781 8.2781 8.3104 8.3104 8.5774 8.5774 8.8970 8.8970 9.1848 9.1848 9.3620 9.3620 9.6414 9.6414 11.1964 11.1964 11.3630 11.3630 11.5611 11.5611 12.4858 12.4858 k = 0.2024-0.1168 0.1652 ( 13047 PWs) bands (ev): -36.7536 -36.7536 -36.7497 -36.7497 1.1809 1.1809 3.6740 3.6740 3.9528 3.9528 3.9702 3.9702 4.0160 4.0160 4.7429 4.7429 4.9903 4.9903 5.1221 5.1221 5.1894 5.1894 5.8294 5.8294 7.2003 7.2003 7.4042 7.4042 7.6893 7.6893 7.7343 7.7343 7.8725 7.8725 8.2338 8.2338 8.2799 8.2799 8.5534 8.5534 8.7950 8.7950 9.1105 9.1105 9.2670 9.2670 9.5678 9.5678 11.2197 11.2197 11.3866 11.3866 11.5843 11.5843 12.4008 12.4008 k = 0.2143-0.1237 0.1750 ( 13055 PWs) bands (ev): -36.7535 -36.7535 -36.7497 -36.7497 1.2357 1.2357 3.6768 3.6768 3.9912 3.9912 4.0093 4.0093 4.0545 4.0545 4.7503 4.7503 5.0242 5.0242 5.1391 5.1391 5.2132 5.2132 5.8544 5.8544 7.1095 7.1095 7.3526 7.3526 7.6629 7.6629 7.7000 7.7000 7.8516 7.8516 8.1879 8.1879 8.2503 8.2503 8.5144 8.5144 8.7088 8.7088 9.0369 9.0369 9.1700 9.1700 9.4953 9.4953 11.2416 11.2416 11.4089 11.4089 11.6041 11.6041 12.3219 12.3219 k = 0.2262-0.1306 0.1847 ( 13063 PWs) bands (ev): -36.7534 -36.7534 -36.7498 -36.7498 1.2933 1.2933 3.6792 3.6792 4.0313 4.0313 4.0500 4.0500 4.0948 4.0948 4.7587 4.7587 5.0592 5.0592 5.1572 5.1572 5.2380 5.2380 5.8807 5.8807 7.0160 7.0160 7.2998 7.2998 7.6348 7.6348 7.6617 7.6617 7.8297 7.8297 8.1408 8.1408 8.2214 8.2214 8.4486 8.4486 8.6500 8.6500 8.9641 8.9641 9.0721 9.0721 9.4243 9.4243 11.2620 11.2620 11.4298 11.4298 11.6209 11.6209 12.2490 12.2490 k = 0.2381-0.1375 0.1944 ( 13063 PWs) bands (ev): -36.7534 -36.7534 -36.7498 -36.7498 1.3536 1.3536 3.6809 3.6809 4.0731 4.0731 4.0924 4.0924 4.1368 4.1368 4.7683 4.7683 5.0953 5.0953 5.1766 5.1766 5.2636 5.2636 5.9082 5.9082 6.9201 6.9201 7.2458 7.2458 7.6048 7.6048 7.6194 7.6194 7.8064 7.8064 8.0927 8.0927 8.1933 8.1933 8.3583 8.3583 8.6164 8.6164 8.8919 8.8919 8.9743 8.9743 9.3554 9.3554 11.2808 11.2808 11.4495 11.4495 11.6346 11.6346 12.1820 12.1820 k = 0.2500-0.1443 0.2041 ( 13031 PWs) bands (ev): -36.7533 -36.7533 -36.7499 -36.7499 1.4166 1.4166 3.6817 3.6817 4.1166 4.1166 4.1361 4.1361 4.1805 4.1805 4.7793 4.7793 5.1317 5.1317 5.1977 5.1977 5.2901 5.2901 5.9369 5.9369 6.8224 6.8224 7.1912 7.1912 7.5728 7.5728 7.5729 7.5729 7.7816 7.7816 8.0438 8.0438 8.1661 8.1661 8.2559 8.2559 8.5958 8.5958 8.8203 8.8203 8.8779 8.8779 9.2891 9.2891 11.2983 11.2983 11.4680 11.4680 11.6454 11.6454 12.1209 12.1209 k = 0.2619-0.1512 0.2138 ( 13055 PWs) bands (ev): -36.7533 -36.7533 -36.7500 -36.7500 1.4822 1.4822 3.6816 3.6816 4.1615 4.1615 4.1809 4.1809 4.2258 4.2258 4.7919 4.7919 5.1677 5.1677 5.2212 5.2212 5.3173 5.3173 5.9666 5.9666 6.7235 6.7235 7.1360 7.1360 7.5224 7.5224 7.5385 7.5385 7.7549 7.7549 7.9939 7.9939 8.1398 8.1398 8.1488 8.1488 8.5802 8.5802 8.7492 8.7492 8.7847 8.7847 9.2258 9.2258 11.3142 11.3142 11.4854 11.4854 11.6533 11.6533 12.0655 12.0655 k = 0.2738-0.1581 0.2236 ( 13047 PWs) bands (ev): -36.7532 -36.7532 -36.7500 -36.7500 1.5502 1.5502 3.6803 3.6803 4.2077 4.2077 4.2263 4.2263 4.2727 4.2727 4.8065 4.8065 5.2016 5.2016 5.2485 5.2485 5.3451 5.3451 5.9973 5.9973 6.6241 6.6241 7.0805 7.0805 7.4681 7.4681 7.5018 7.5018 7.7262 7.7262 7.9432 7.9432 8.0403 8.0403 8.1145 8.1145 8.5647 8.5647 8.6786 8.6786 8.6978 8.6978 9.1658 9.1658 11.3288 11.3288 11.5019 11.5019 11.6583 11.6583 12.0158 12.0158 k = 0.2857-0.1650 0.2333 ( 13055 PWs) bands (ev): -36.7531 -36.7531 -36.7501 -36.7501 1.6205 1.6205 3.6776 3.6776 4.2552 4.2552 4.2718 4.2718 4.3212 4.3212 4.8235 4.8235 5.2321 5.2321 5.2807 5.2807 5.3734 5.3734 6.0289 6.0289 6.5248 6.5248 7.0251 7.0251 7.4104 7.4104 7.4619 7.4619 7.6951 7.6951 7.8916 7.8916 7.9322 7.9322 8.0899 8.0899 8.5398 8.5398 8.6088 8.6088 8.6264 8.6264 9.1093 9.1093 11.3420 11.3420 11.5174 11.5174 11.6604 11.6604 11.9716 11.9716 k = 0.2976-0.1718 0.2430 ( 13055 PWs) bands (ev): -36.7530 -36.7530 -36.7502 -36.7502 1.6932 1.6932 3.6733 3.6733 4.3037 4.3037 4.3169 4.3169 4.3714 4.3714 4.8432 4.8432 5.2595 5.2595 5.3169 5.3169 5.4020 5.4020 6.0610 6.0610 6.4266 6.4266 6.9699 6.9699 7.3496 7.3496 7.4182 7.4182 7.6614 7.6614 7.8259 7.8259 7.8390 7.8390 8.0659 8.0659 8.4889 8.4889 8.5398 8.5398 8.5881 8.5881 9.0565 9.0565 11.3540 11.3540 11.5321 11.5321 11.6594 11.6594 11.9329 11.9329 k = 0.3095-0.1787 0.2527 ( 13071 PWs) bands (ev): -36.7530 -36.7530 -36.7502 -36.7502 1.7680 1.7680 3.6671 3.6671 4.3530 4.3530 4.3608 4.3608 4.4232 4.4232 4.8663 4.8663 5.2853 5.2853 5.3553 5.3553 5.4309 5.4309 6.0932 6.0932 6.3306 6.3306 6.9152 6.9152 7.2862 7.2862 7.3699 7.3699 7.6239 7.6239 7.7236 7.7236 7.7855 7.7855 8.0420 8.0420 8.4226 8.4226 8.4722 8.4722 8.5728 8.5728 9.0074 9.0074 11.3649 11.3649 11.5461 11.5461 11.6554 11.6554 11.8996 11.8996 k = 0.3214-0.1856 0.2624 ( 13071 PWs) bands (ev): -36.7529 -36.7529 -36.7503 -36.7503 1.8447 1.8447 3.6588 3.6588 4.4029 4.4029 4.4030 4.4030 4.4766 4.4766 4.8932 4.8932 5.3105 5.3105 5.3938 5.3938 5.4598 5.4598 6.1232 6.1232 6.2402 6.2402 6.8612 6.8612 7.2208 7.2208 7.3158 7.3158 7.5756 7.5756 7.6338 7.6338 7.7311 7.7311 8.0178 8.0178 8.3574 8.3574 8.4066 8.4066 8.5647 8.5647 8.9620 8.9620 11.3747 11.3747 11.5593 11.5593 11.6483 11.6483 11.8716 11.8716 k = 0.3333-0.1925 0.2722 ( 13103 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.9233 1.9233 3.6480 3.6480 4.4430 4.4430 4.4531 4.4531 4.5313 4.5313 4.9245 4.9245 5.3358 5.3358 5.4309 5.4309 5.4886 5.4886 6.1228 6.1228 6.1850 6.1850 6.8083 6.8083 7.1539 7.1539 7.2549 7.2549 7.4986 7.4986 7.5760 7.5760 7.6757 7.6757 7.9926 7.9926 8.2979 8.2979 8.3439 8.3439 8.5594 8.5594 8.9200 8.9200 11.3835 11.3835 11.5720 11.5720 11.6386 11.6386 11.8483 11.8483 k = 0.3452-0.1993 0.2819 ( 13071 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 2.0036 2.0036 3.6344 3.6344 4.4804 4.4804 4.5034 4.5034 4.5872 4.5872 4.9605 4.9605 5.3613 5.3613 5.4642 5.4642 5.5171 5.5171 6.0531 6.0531 6.2058 6.2058 6.7568 6.7568 7.0859 7.0859 7.1868 7.1868 7.4082 7.4082 7.5367 7.5367 7.6193 7.6193 7.9656 7.9656 8.2454 8.2454 8.2850 8.2850 8.5557 8.5557 8.8813 8.8813 11.3915 11.3915 11.5840 11.5840 11.6265 11.6265 11.8293 11.8293 k = 0.3571-0.2062 0.2916 ( 13071 PWs) bands (ev): -36.7527 -36.7527 -36.7506 -36.7506 2.0854 2.0854 3.6177 3.6177 4.5150 4.5150 4.5532 4.5532 4.6438 4.6438 5.0014 5.0014 5.3870 5.3870 5.4905 5.4905 5.5452 5.5452 5.9820 5.9820 6.2380 6.2380 6.7068 6.7068 7.0174 7.0174 7.1117 7.1117 7.3188 7.3188 7.5031 7.5031 7.5621 7.5621 7.9358 7.9358 8.1998 8.1998 8.2312 8.2312 8.5532 8.5532 8.8458 8.8458 11.3988 11.3988 11.5955 11.5955 11.6127 11.6127 11.8137 11.8137 k = 0.3690-0.2131 0.3013 ( 13079 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.1684 2.1684 3.5976 3.5976 4.5468 4.5468 4.6020 4.6020 4.7009 4.7009 5.0472 5.0472 5.4127 5.4127 5.5051 5.5051 5.5725 5.5725 5.9245 5.9245 6.2713 6.2713 6.6588 6.6588 6.9490 6.9490 7.0305 7.0305 7.2329 7.2329 7.4734 7.4734 7.5042 7.5042 7.9023 7.9023 8.1609 8.1609 8.1838 8.1838 8.5518 8.5518 8.8133 8.8133 11.4054 11.4054 11.5981 11.5981 11.6066 11.6066 11.8007 11.8007 k = 0.3810-0.2199 0.3110 ( 13071 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.2525 2.2525 3.5736 3.5736 4.5762 4.5762 4.6494 4.6494 4.7578 4.7578 5.0977 5.0977 5.4376 5.4376 5.5033 5.5033 5.5989 5.5989 5.8876 5.8876 6.3043 6.3043 6.6130 6.6130 6.8811 6.8811 6.9454 6.9454 7.1513 7.1513 7.4456 7.4456 7.4476 7.4476 7.8646 7.8646 8.1279 8.1279 8.1434 8.1434 8.5513 8.5513 8.7834 8.7834 11.4116 11.4116 11.5830 11.5830 11.6173 11.6173 11.7897 11.7897 k = 0.3929-0.2268 0.3208 ( 13055 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.3373 2.3373 3.5454 3.5454 4.6034 4.6034 4.6944 4.6944 4.8141 4.8141 5.1524 5.1524 5.4547 5.4547 5.4896 5.4896 5.6241 5.6241 5.8736 5.8736 6.3358 6.3358 6.5700 6.5700 6.8145 6.8145 6.8586 6.8586 7.0743 7.0743 7.3865 7.3865 7.4258 7.4258 7.8230 7.8230 8.1002 8.1002 8.1101 8.1101 8.5517 8.5517 8.7561 8.7561 11.4173 11.4173 11.5682 11.5682 11.6276 11.6276 11.7800 11.7800 k = 0.4048-0.2337 0.3305 ( 13044 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.4226 2.4226 3.5127 3.5127 4.6290 4.6290 4.7361 4.7361 4.8692 4.8692 5.2107 5.2107 5.4323 5.4323 5.5002 5.5002 5.6479 5.6479 5.8781 5.8781 6.3649 6.3649 6.5302 6.5302 6.7495 6.7495 6.7724 6.7724 7.0029 7.0029 7.3272 7.3272 7.4084 7.4084 7.7785 7.7785 8.0771 8.0771 8.0833 8.0833 8.5531 8.5531 8.7312 8.7312 11.4227 11.4227 11.5538 11.5538 11.6375 11.6375 11.7712 11.7712 k = 0.4167-0.2406 0.3402 ( 13044 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.5080 2.5080 3.4752 3.4752 4.6535 4.6535 4.7733 4.7733 4.9223 4.9223 5.2718 5.2718 5.3892 5.3892 5.5239 5.5239 5.6702 5.6702 5.8930 5.8930 6.3898 6.3898 6.4941 6.4941 6.6869 6.6869 6.6893 6.6893 6.9389 6.9389 7.2680 7.2680 7.3957 7.3957 7.7323 7.7323 8.0580 8.0580 8.0620 8.0620 8.5553 8.5553 8.7085 8.7085 11.4280 11.4280 11.5401 11.5401 11.6471 11.6471 11.7629 11.7629 k = 0.4286-0.2474 0.3499 ( 13052 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.5932 2.5932 3.4328 3.4328 4.6772 4.6772 4.8046 4.8046 4.9726 4.9726 5.3349 5.3349 5.3437 5.3437 5.5483 5.5483 5.6910 5.6910 5.9112 5.9112 6.4074 6.4074 6.4624 6.4624 6.6125 6.6125 6.6274 6.6274 6.8852 6.8852 7.2092 7.2092 7.3879 7.3879 7.6859 7.6859 8.0424 8.0424 8.0451 8.0451 8.5585 8.5585 8.6878 8.6878 11.4332 11.4332 11.5273 11.5273 11.6565 11.6565 11.7550 11.7550 k = 0.4405-0.2543 0.3596 ( 13044 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6778 2.6778 3.3853 3.3853 4.7006 4.7006 4.8283 4.8283 5.0193 5.0193 5.3016 5.3016 5.3986 5.3986 5.5717 5.5717 5.7104 5.7104 5.9270 5.9270 6.4134 6.4134 6.4358 6.4358 6.5470 6.5470 6.5715 6.5715 6.8454 6.8454 7.1512 7.1512 7.3854 7.3854 7.6404 7.6404 8.0298 8.0298 8.0319 8.0319 8.5627 8.5627 8.6690 8.6690 11.4385 11.4385 11.5154 11.5154 11.6656 11.6656 11.7472 11.7472 k = 0.4524-0.2612 0.3694 ( 13044 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.7613 2.7613 3.3327 3.3327 4.7239 4.7239 4.8430 4.8430 5.0613 5.0613 5.2656 5.2656 5.4613 5.4613 5.5929 5.5929 5.7291 5.7291 5.9352 5.9352 6.4033 6.4033 6.4150 6.4150 6.4986 6.4986 6.5202 6.5202 6.8232 6.8232 7.0947 7.0947 7.3883 7.3883 7.5967 7.5967 8.0200 8.0200 8.0216 8.0216 8.5678 8.5678 8.6520 8.6520 11.4439 11.4439 11.5044 11.5044 11.6745 11.6745 11.7395 11.7395 k = 0.4643-0.2681 0.3791 ( 13048 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8433 2.8433 3.2751 3.2751 4.7471 4.7471 4.8479 4.8479 5.0981 5.0981 5.2367 5.2367 5.5199 5.5199 5.6108 5.6108 5.7488 5.7488 5.9312 5.9312 6.3824 6.3824 6.4008 6.4008 6.4666 6.4666 6.4741 6.4741 6.8200 6.8200 7.0401 7.0401 7.3968 7.3968 7.5556 7.5556 8.0127 8.0127 8.0139 8.0139 8.5740 8.5740 8.6366 8.6366 11.4495 11.4495 11.4944 11.4944 11.6831 11.6831 11.7317 11.7317 k = 0.4762-0.2749 0.3888 ( 13044 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9233 2.9233 3.2127 3.2127 4.7703 4.7703 4.8434 4.8434 5.1293 5.1293 5.2139 5.2139 5.5698 5.5698 5.6237 5.6237 5.7724 5.7724 5.9123 5.9123 6.3663 6.3663 6.3936 6.3936 6.4347 6.4347 6.4423 6.4423 6.8337 6.8337 6.9883 6.9883 7.4108 7.4108 7.5179 7.5179 8.0076 8.0076 8.0084 8.0084 8.5813 8.5813 8.6228 8.6228 11.4556 11.4556 11.4852 11.4852 11.6916 11.6916 11.7240 11.7240 k = 0.4881-0.2818 0.3985 ( 13048 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0008 3.0008 3.1459 3.1459 4.7927 4.7927 4.8312 4.8312 5.1549 5.1549 5.1948 5.1948 5.6056 5.6056 5.6294 5.6294 5.8032 5.8032 5.8802 5.8802 6.3637 6.3637 6.3903 6.3903 6.4065 6.4065 6.4220 6.4220 6.8606 6.8606 6.9401 6.9401 7.4302 7.4302 7.4841 7.4841 8.0048 8.0048 8.0052 8.0052 8.5898 8.5898 8.6105 8.6105 11.4621 11.4621 11.4768 11.4768 11.6999 11.6999 11.7161 11.7161 k = 0.5000-0.2887 0.4082 ( 13064 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0751 3.0751 3.0752 3.0752 4.8135 4.8135 4.8136 4.8136 5.1760 5.1760 5.1761 5.1761 5.6247 5.6247 5.6248 5.6248 5.8411 5.8411 5.8411 5.8411 6.3747 6.3747 6.3748 6.3748 6.4073 6.4073 6.4074 6.4074 6.8970 6.8970 6.8970 6.8970 7.4547 7.4547 7.4548 7.4548 8.0039 8.0039 8.0040 8.0040 8.5995 8.5995 8.5995 8.5995 11.4691 11.4691 11.4691 11.4691 11.7080 11.7080 11.7081 11.7081 k = 0.5000-0.2887 0.4082 ( 13064 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0751 3.0751 3.0752 3.0752 4.8135 4.8135 4.8136 4.8136 5.1760 5.1760 5.1761 5.1761 5.6247 5.6247 5.6248 5.6248 5.8411 5.8411 5.8411 5.8411 6.3747 6.3747 6.3748 6.3748 6.4073 6.4073 6.4074 6.4074 6.8970 6.8970 6.8970 6.8970 7.4547 7.4547 7.4548 7.4548 8.0039 8.0039 8.0040 8.0040 8.5995 8.5995 8.5995 8.5995 11.4691 11.4691 11.4691 11.4691 11.7080 11.7080 11.7081 11.7081 k = 0.5000-0.2749 0.4180 ( 13046 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0750 3.0750 3.0764 3.0764 4.8029 4.8029 4.8230 4.8230 5.1605 5.1605 5.1910 5.1910 5.6147 5.6147 5.6328 5.6328 5.8175 5.8175 5.8651 5.8651 6.3382 6.3382 6.3797 6.3797 6.3945 6.3945 6.4527 6.4527 6.8835 6.8835 6.9117 6.9117 7.4542 7.4542 7.4578 7.4578 8.0037 8.0037 8.0054 8.0054 8.5970 8.5970 8.6023 8.6023 11.3974 11.3974 11.4640 11.4640 11.7181 11.7181 11.7775 11.7775 k = 0.5000-0.2612 0.4277 ( 13032 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0759 3.0759 3.0788 3.0788 4.7911 4.7911 4.8311 4.8311 5.1443 5.1443 5.2052 5.2052 5.6025 5.6025 5.6390 5.6390 5.7954 5.7954 5.8880 5.8880 6.2926 6.2926 6.3756 6.3756 6.3927 6.3927 6.5072 6.5072 6.8717 6.8717 6.9274 6.9274 7.4557 7.4557 7.4637 7.4637 8.0047 8.0047 8.0081 8.0081 8.5949 8.5949 8.6056 8.6056 11.3016 11.3016 11.3910 11.3910 11.7987 11.7987 11.8735 11.8735 k = 0.5000-0.2474 0.4374 ( 13032 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0780 3.0780 3.0822 3.0822 4.7786 4.7786 4.8374 4.8374 5.1278 5.1278 5.2186 5.2186 5.5881 5.5881 5.6435 5.6435 5.7759 5.7759 5.9085 5.9085 6.2507 6.2507 6.3689 6.3689 6.3907 6.3907 6.5637 6.5637 6.8617 6.8617 6.9435 6.9435 7.4589 7.4589 7.4728 7.4728 8.0072 8.0072 8.0118 8.0118 8.5931 8.5931 8.6094 8.6094 11.2000 11.2000 11.2994 11.2994 11.9005 11.9005 11.9780 11.9780 k = 0.5000-0.2337 0.4471 ( 13036 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0810 3.0810 3.0867 3.0867 4.7652 4.7652 4.8416 4.8416 5.1113 5.1113 5.2313 5.2313 5.5717 5.5717 5.6459 5.6459 5.7594 5.7594 5.9248 5.9248 6.2152 6.2152 6.3603 6.3603 6.3877 6.3877 6.6207 6.6207 6.8536 6.8536 6.9594 6.9594 7.4635 7.4635 7.4854 7.4854 8.0111 8.0111 8.0166 8.0166 8.5917 8.5917 8.6139 8.6139 11.0970 11.0970 11.2036 11.2036 12.0093 12.0093 12.0864 12.0864 k = 0.5000-0.2199 0.4568 ( 13034 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0850 3.0850 3.0922 3.0922 4.7513 4.7513 4.8432 4.8432 5.0952 5.0952 5.2434 5.2434 5.5536 5.5536 5.6460 5.6460 5.7462 5.7462 5.9357 5.9357 6.1879 6.1879 6.3504 6.3504 6.3835 6.3835 6.6770 6.6770 6.8479 6.8479 6.9747 6.9747 7.4690 7.4690 7.5017 7.5017 8.0165 8.0165 8.0223 8.0223 8.5909 8.5909 8.6192 8.6192 10.9939 10.9939 11.1073 11.1073 12.1213 12.1213 12.1974 12.1974 k = 0.5000-0.2062 0.4666 ( 13034 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0899 3.0899 3.0987 3.0987 4.7368 4.7368 4.8416 4.8416 5.0802 5.0802 5.2547 5.2547 5.5347 5.5347 5.6433 5.6433 5.7360 5.7360 5.9406 5.9406 6.1699 6.1699 6.3393 6.3393 6.3782 6.3782 6.7312 6.7312 6.8451 6.8451 6.9889 6.9889 7.4752 7.4752 7.5215 7.5215 8.0236 8.0236 8.0290 8.0290 8.5908 8.5908 8.6257 8.6257 10.8915 10.8915 11.0118 11.0118 12.2354 12.2354 12.3102 12.3102 k = 0.5000-0.1925 0.4763 ( 13032 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0955 3.0955 3.1059 3.1059 4.7219 4.7219 4.8364 4.8364 5.0670 5.0670 5.2654 5.2654 5.5157 5.5157 5.6372 5.6372 5.7283 5.7283 5.9404 5.9404 6.1607 6.1607 6.3274 6.3274 6.3721 6.3721 6.7792 6.7792 6.8488 6.8488 7.0015 7.0015 7.4817 7.4817 7.5447 7.5447 8.0324 8.0324 8.0366 8.0366 8.5918 8.5918 8.6334 8.6334 10.7900 10.7900 10.9177 10.9177 12.3508 12.3508 12.4244 12.4244 k = 0.5000-0.1787 0.4860 ( 13046 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1018 3.1018 3.1139 3.1139 4.7067 4.7067 4.8273 4.8273 5.0560 5.0560 5.2756 5.2756 5.4973 5.4973 5.6275 5.6275 5.7227 5.7227 5.9377 5.9377 6.1580 6.1580 6.3149 6.3149 6.3654 6.3654 6.8085 6.8085 6.8707 6.8707 7.0125 7.0125 7.4883 7.4883 7.5706 7.5706 8.0428 8.0428 8.0449 8.0449 8.5941 8.5941 8.6427 8.6427 10.6899 10.6899 10.8254 10.8254 12.4672 12.4672 12.5396 12.5396 k = 0.5000-0.1650 0.4957 ( 13044 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1087 3.1087 3.1225 3.1225 4.6914 4.6914 4.8142 4.8142 5.0476 5.0476 5.2853 5.2853 5.4800 5.4800 5.6142 5.6142 5.7187 5.7187 5.9351 5.9351 6.1591 6.1591 6.3021 6.3021 6.3585 6.3585 6.8172 6.8172 6.9120 6.9120 7.0216 7.0216 7.4946 7.4946 7.5986 7.5986 8.0538 8.0538 8.0546 8.0546 8.5982 8.5982 8.6538 8.6538 10.5913 10.5913 10.7352 10.7352 12.5842 12.5842 12.6557 12.6557 k = 0.5000-0.1512 0.5055 ( 13054 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1159 3.1159 3.1315 3.1315 4.6761 4.6761 4.7977 4.7977 5.0417 5.0417 5.2945 5.2945 5.4642 5.4642 5.5976 5.5976 5.7160 5.7160 5.9347 5.9347 6.1615 6.1615 6.2893 6.2893 6.3516 6.3516 6.8196 6.8196 6.9579 6.9579 7.0291 7.0291 7.5004 7.5004 7.6279 7.6279 8.0632 8.0632 8.0677 8.0677 8.6047 8.6047 8.6668 8.6668 10.4946 10.4946 10.6477 10.6477 12.7014 12.7014 12.7721 12.7721 k = 0.5000-0.1375 0.5152 ( 13062 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1234 3.1234 3.1408 3.1408 4.6609 4.6609 4.7786 4.7786 5.0379 5.0379 5.3034 5.3034 5.4501 5.4501 5.5787 5.5787 5.7142 5.7142 5.9371 5.9371 6.1635 6.1635 6.2767 6.2767 6.3451 6.3451 6.8207 6.8207 7.0027 7.0027 7.0350 7.0350 7.5055 7.5055 7.6574 7.6574 8.0728 8.0728 8.0817 8.0817 8.6140 8.6140 8.6819 8.6819 10.4002 10.4002 10.5631 10.5631 12.8184 12.8184 12.8884 12.8884 k = 0.5000-0.1237 0.5249 ( 13062 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1310 3.1310 3.1501 3.1501 4.6462 4.6462 4.7579 4.7579 5.0359 5.0359 5.3121 5.3121 5.4376 5.4376 5.5583 5.5583 5.7132 5.7132 5.9425 5.9425 6.1639 6.1639 6.2646 6.2646 6.3393 6.3393 6.8215 6.8215 7.0395 7.0395 7.0450 7.0450 7.5098 7.5098 7.6862 7.6862 8.0823 8.0823 8.0961 8.0961 8.6266 8.6266 8.6991 8.6991 10.3084 10.3084 10.4820 10.4820 12.9344 12.9344 13.0040 13.0040 k = 0.5000-0.1100 0.5346 ( 13060 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1384 3.1384 3.1594 3.1594 4.6321 4.6321 4.7365 4.7365 5.0350 5.0350 5.3206 5.3206 5.4268 5.4268 5.5373 5.5373 5.7127 5.7127 5.9506 5.9506 6.1621 6.1621 6.2531 6.2531 6.3345 6.3345 6.8224 6.8224 7.0428 7.0428 7.0840 7.0840 7.5133 7.5133 7.7136 7.7136 8.0915 8.0915 8.1101 8.1101 8.6429 8.6429 8.7183 8.7183 10.2200 10.2200 10.4050 10.4050 13.0488 13.0488 13.1181 13.1181 k = 0.5000-0.0962 0.5443 ( 13046 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1456 3.1456 3.1683 3.1683 4.6188 4.6188 4.7155 4.7155 5.0349 5.0349 5.3290 5.3290 5.4177 5.4177 5.5164 5.5164 5.7127 5.7127 5.9608 5.9608 6.1579 6.1579 6.2425 6.2425 6.3307 6.3307 6.8234 6.8234 7.0453 7.0453 7.1193 7.1193 7.5158 7.5158 7.7389 7.7389 8.1001 8.1001 8.1232 8.1232 8.6630 8.6630 8.7390 8.7390 10.1357 10.1357 10.3328 10.3328 13.1603 13.1603 13.2296 13.2296 k = 0.5000-0.0825 0.5541 ( 13068 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1523 3.1523 3.1766 3.1766 4.6067 4.6067 4.6956 4.6956 5.0353 5.0353 5.3374 5.3374 5.4101 5.4101 5.4961 5.4961 5.7129 5.7129 5.9728 5.9728 6.1513 6.1513 6.2329 6.2329 6.3279 6.3279 6.8243 6.8243 7.0469 7.0469 7.1507 7.1507 7.5174 7.5174 7.7615 7.7615 8.1079 8.1079 8.1347 8.1347 8.6864 8.6864 8.7607 8.7607 10.0565 10.0565 10.2664 10.2664 13.2675 13.2675 13.3370 13.3370 k = 0.5000-0.0687 0.5638 ( 13084 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1583 3.1583 3.1841 3.1841 4.5958 4.5958 4.6776 4.6776 5.0359 5.0359 5.3461 5.3461 5.4038 5.4038 5.4769 5.4769 5.7133 5.7133 5.9860 5.9860 6.1425 6.1425 6.2245 6.2245 6.3261 6.3261 6.8253 6.8253 7.0481 7.0481 7.1778 7.1778 7.5182 7.5182 7.7811 7.7811 8.1147 8.1147 8.1444 8.1444 8.7123 8.7123 8.7824 8.7824 9.9839 9.9839 10.2067 10.2067 13.3682 13.3682 13.4382 13.4382 k = 0.5000-0.0550 0.5735 ( 13090 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1635 3.1635 3.1906 3.1906 4.5866 4.5866 4.6620 4.6620 5.0366 5.0366 5.3550 5.3550 5.3989 5.3989 5.4589 5.4589 5.7137 5.7137 6.0000 6.0000 6.1320 6.1320 6.2174 6.2174 6.3249 6.3249 6.8261 6.8261 7.0488 7.0488 7.2005 7.2005 7.5184 7.5184 7.7975 7.7975 8.1204 8.1204 8.1520 8.1520 8.7388 8.7388 8.8030 8.8030 9.9194 9.9194 10.1551 10.1551 13.4597 13.4597 13.5303 13.5303 k = 0.5000-0.0412 0.5832 ( 13092 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1677 3.1677 3.1959 3.1959 4.5792 4.5792 4.6493 4.6493 5.0372 5.0372 5.3643 5.3643 5.3952 5.3952 5.4424 5.4424 5.7141 5.7141 6.0142 6.0142 6.1204 6.1204 6.2117 6.2117 6.3243 6.3243 6.8268 6.8268 7.0492 7.0492 7.2184 7.2184 7.5182 7.5182 7.8104 7.8104 8.1249 8.1249 8.1576 8.1576 8.7639 8.7639 8.8211 8.8211 9.8653 9.8653 10.1129 10.1129 13.5382 13.5382 13.6098 13.6098 k = 0.5000-0.0275 0.5929 ( 13104 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1708 3.1708 3.1998 3.1998 4.5738 4.5738 4.6400 4.6400 5.0377 5.0377 5.3739 5.3739 5.3926 5.3926 5.4275 5.4275 5.7145 5.7145 6.0279 6.0279 6.1086 6.1086 6.2076 6.2076 6.3239 6.3239 6.8274 6.8274 7.0494 7.0494 7.2315 7.2315 7.5179 7.5179 7.8197 7.8197 8.1281 8.1281 8.1613 8.1613 8.7847 8.7847 8.8354 8.8354 9.8240 9.8240 10.0815 10.0815 13.5995 13.5995 13.6719 13.6719 k = 0.5000-0.0137 0.6027 ( 13108 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1727 3.1727 3.2022 3.2022 4.5704 4.5704 4.6343 4.6343 5.0380 5.0380 5.3835 5.3835 5.3911 5.3911 5.4147 5.4147 5.7147 5.7147 6.0391 6.0391 6.0985 6.0985 6.2051 6.2051 6.3238 6.3238 6.8277 6.8277 7.0496 7.0496 7.2394 7.2394 7.5175 7.5175 7.8254 7.8254 8.1301 8.1301 8.1634 8.1634 8.7986 8.7986 8.8446 8.8446 9.7980 9.7980 10.0621 10.0621 13.6387 13.6387 13.7119 13.7119 k = 0.5000-0.0000 0.6124 ( 13116 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1734 3.1734 3.2030 3.2030 4.5693 4.5693 4.6324 4.6324 5.0381 5.0381 5.3892 5.3892 5.3906 5.3906 5.4079 5.4079 5.7148 5.7148 6.0439 6.0439 6.0940 6.0940 6.2043 6.2043 6.3237 6.3237 6.8278 6.8278 7.0496 7.0496 7.2420 7.2420 7.5174 7.5174 7.8273 7.8273 8.1307 8.1307 8.1641 8.1641 8.8035 8.8035 8.8477 8.8477 9.7891 9.7891 10.0555 10.0555 13.6523 13.6523 13.7258 13.7258 k = 0.5000-0.0000 0.6124 ( 13116 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1734 3.1734 3.2030 3.2030 4.5693 4.5693 4.6324 4.6324 5.0381 5.0381 5.3892 5.3892 5.3906 5.3906 5.4079 5.4079 5.7148 5.7148 6.0439 6.0439 6.0940 6.0940 6.2043 6.2043 6.3237 6.3237 6.8278 6.8278 7.0496 7.0496 7.2420 7.2420 7.5174 7.5174 7.8273 7.8273 8.1307 8.1307 8.1641 8.1641 8.8035 8.8035 8.8477 8.8477 9.7891 9.7891 10.0555 10.0555 13.6523 13.6523 13.7258 13.7258 k = 0.4917 0.0144 0.6124 ( 13108 PWs) bands (ev): -36.7517 -36.7517 -36.7516 -36.7516 3.1358 3.1358 3.2399 3.2399 4.5696 4.5696 4.6332 4.6332 5.0371 5.0371 5.3746 5.3746 5.3951 5.3951 5.4184 5.4184 5.7111 5.7111 6.0389 6.0389 6.0953 6.0953 6.2010 6.2010 6.3361 6.3361 6.8272 6.8272 7.0502 7.0502 7.2407 7.2407 7.5187 7.5187 7.8268 7.8268 8.1281 8.1281 8.1661 8.1661 8.7912 8.7912 8.8560 8.8560 9.7906 9.7906 10.0640 10.0640 13.6115 13.6115 13.7527 13.7527 k = 0.4833 0.0289 0.6124 ( 13106 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0879 3.0879 3.2861 3.2861 4.5704 4.5704 4.6354 4.6354 5.0344 5.0344 5.3580 5.3580 5.3958 5.3958 5.4353 5.4353 5.7005 5.7005 6.0262 6.0262 6.0956 6.0956 6.1979 6.1979 6.3671 6.3671 6.8261 6.8261 7.0515 7.0515 7.2369 7.2369 7.5226 7.5226 7.8256 7.8256 8.1217 8.1217 8.1701 8.1701 8.7689 8.7689 8.8658 8.8658 9.7922 9.7922 10.0925 10.0925 13.5275 13.5275 13.7968 13.7968 k = 0.4750 0.0433 0.6124 ( 13100 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0412 3.0412 3.3305 3.3305 4.5713 4.5713 4.6390 4.6390 5.0310 5.0310 5.3417 5.3417 5.3975 5.3975 5.4513 5.4513 5.6847 5.6847 6.0082 6.0082 6.0911 6.0911 6.2034 6.2034 6.4072 6.4072 6.8255 6.8255 7.0525 7.0525 7.2309 7.2309 7.5292 7.5292 7.8237 7.8237 8.1135 8.1135 8.1743 8.1743 8.7452 8.7452 8.8691 8.8691 9.7907 9.7907 10.1434 10.1434 13.4221 13.4221 13.8399 13.8399 k = 0.4667 0.0577 0.6124 ( 13098 PWs) bands (ev): -36.7518 -36.7518 -36.7515 -36.7515 2.9966 2.9966 3.3724 3.3724 4.5719 4.5719 4.6437 4.6437 5.0278 5.0278 5.3259 5.3259 5.3999 5.3999 5.4656 5.4656 5.6652 5.6652 5.9868 5.9868 6.0826 6.0826 6.2179 6.2179 6.4515 6.4515 6.8261 6.8261 7.0527 7.0527 7.2229 7.2229 7.5383 7.5383 7.8210 7.8210 8.1043 8.1043 8.1776 8.1776 8.7219 8.7219 8.8656 8.8656 9.7854 9.7854 10.2153 10.2153 13.3019 13.3019 13.8792 13.8792 k = 0.4583 0.0722 0.6124 ( 13083 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9547 2.9547 3.4115 3.4115 4.5720 4.5720 4.6494 4.6494 5.0254 5.0254 5.3108 5.3108 5.4026 5.4026 5.4778 5.4778 5.6440 5.6440 5.9641 5.9641 6.0722 6.0722 6.2377 6.2377 6.4972 6.4972 6.8283 6.8283 7.0519 7.0519 7.2134 7.2134 7.5497 7.5497 7.8175 7.8175 8.0943 8.0943 8.1796 8.1796 8.6999 8.6999 8.8564 8.8564 9.7776 9.7776 10.3049 10.3049 13.1709 13.1709 13.9142 13.9142 k = 0.4500 0.0866 0.6124 ( 13072 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9160 2.9160 3.4475 3.4475 4.5715 4.5715 4.6559 4.6559 5.0246 5.0246 5.2963 5.2963 5.4050 5.4050 5.4876 5.4876 5.6225 5.6225 5.9421 5.9421 6.0610 6.0610 6.2600 6.2600 6.5427 6.5427 6.8326 6.8326 7.0499 7.0499 7.2025 7.2025 7.5628 7.5628 7.8133 7.8133 8.0837 8.0837 8.1802 8.1802 8.6800 8.6800 8.8431 8.8431 9.7686 9.7686 10.4084 10.4084 13.0324 13.0324 13.9445 13.9445 k = 0.4417 0.1010 0.6124 ( 13062 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.8806 2.8806 3.4803 3.4803 4.5705 4.5705 4.6627 4.6627 5.0257 5.0257 5.2825 5.2825 5.4065 5.4065 5.4949 5.4949 5.6021 5.6021 5.9221 5.9221 6.0493 6.0493 6.2828 6.2828 6.5870 6.5870 6.8390 6.8390 7.0470 7.0470 7.1905 7.1905 7.5774 7.5774 7.8082 7.8082 8.0730 8.0730 8.1792 8.1792 8.6625 8.6625 8.8274 8.8274 9.7593 9.7593 10.5227 10.5227 12.8887 12.8887 13.9703 13.9703 k = 0.4333 0.1155 0.6124 ( 13063 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8488 2.8488 3.5098 3.5098 4.5690 4.5690 4.6694 4.6694 5.0289 5.0289 5.2692 5.2692 5.4069 5.4069 5.4995 5.4995 5.5841 5.5841 5.9052 5.9052 6.0375 6.0375 6.3046 6.3046 6.6289 6.6289 6.8477 6.8477 7.0435 7.0435 7.1775 7.1775 7.5930 7.5930 7.8021 7.8021 8.0623 8.0623 8.1765 8.1765 8.6478 8.6478 8.8106 8.8106 9.7503 9.7503 10.6453 10.6453 12.7414 12.7414 13.9919 13.9919 k = 0.4250 0.1299 0.6124 ( 13073 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8209 2.8209 3.5357 3.5357 4.5673 4.5673 4.6758 4.6758 5.0343 5.0343 5.2561 5.2561 5.4058 5.4058 5.5011 5.5011 5.5694 5.5694 5.8918 5.8918 6.0257 6.0257 6.3246 6.3246 6.6674 6.6674 6.8584 6.8584 7.0399 7.0399 7.1636 7.1636 7.6092 7.6092 7.7951 7.7951 8.0521 8.0521 8.1725 8.1725 8.6359 8.6359 8.7940 8.7940 9.7421 9.7421 10.7743 10.7743 12.5921 12.5921 14.0096 14.0096 k = 0.4167 0.1443 0.6124 ( 13076 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7970 2.7970 3.5578 3.5578 4.5655 4.5655 4.6816 4.6816 5.0416 5.0416 5.2433 5.2433 5.4035 5.4035 5.5000 5.5000 5.5587 5.5587 5.8820 5.8820 6.0144 6.0144 6.3421 6.3421 6.7015 6.7015 6.8707 6.8707 7.0368 7.0368 7.1488 7.1488 7.6255 7.6255 7.7871 7.7871 8.0427 8.0427 8.1675 8.1675 8.6268 8.6268 8.7783 8.7783 9.7350 9.7350 10.9078 10.9078 12.4420 12.4420 14.0238 14.0238 k = 0.4083 0.1588 0.6124 ( 13069 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7773 2.7773 3.5761 3.5761 4.5638 4.5638 4.6865 4.6865 5.0503 5.0503 5.2308 5.2308 5.4002 5.4002 5.4969 5.4969 5.5517 5.5517 5.8755 5.8755 6.0039 6.0039 6.3569 6.3569 6.7305 6.7305 6.8836 6.8836 7.0354 7.0354 7.1332 7.1332 7.6416 7.6416 7.7782 7.7782 8.0346 8.0346 8.1620 8.1620 8.6202 8.6202 8.7644 8.7644 9.7290 9.7290 11.0444 11.0444 12.2924 12.2924 14.0348 14.0348 k = 0.4000 0.1732 0.6124 ( 13067 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7619 2.7619 3.5905 3.5905 4.5623 4.5623 4.6904 4.6904 5.0597 5.0597 5.2189 5.2189 5.3967 5.3967 5.4931 5.4931 5.5475 5.5475 5.8717 5.8717 5.9947 5.9947 6.3685 6.3685 6.7536 6.7536 6.8958 6.8958 7.0368 7.0368 7.1170 7.1170 7.6567 7.6567 7.7687 7.7687 8.0281 8.0281 8.1567 8.1567 8.6157 8.6157 8.7529 8.7529 9.7242 9.7242 11.1818 11.1818 12.1450 12.1450 14.0430 14.0430 k = 0.3917 0.1876 0.6124 ( 13062 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7508 2.7508 3.6008 3.6008 4.5611 4.5611 4.6933 4.6933 5.0685 5.0685 5.2085 5.2085 5.3937 5.3937 5.4896 5.4896 5.5452 5.5452 5.8698 5.8698 5.9875 5.9875 6.3769 6.3769 6.7705 6.7705 6.9054 6.9054 7.0421 7.0421 7.1003 7.1003 7.6701 7.6701 7.7594 7.7594 8.0233 8.0233 8.1524 8.1524 8.6129 8.6129 8.7443 8.7443 9.7208 9.7208 11.3161 11.3161 12.0037 12.0037 14.0486 14.0486 k = 0.3833 0.2021 0.6124 ( 13068 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7441 2.7441 3.6071 3.6071 4.5604 4.5604 4.6950 4.6950 5.0751 5.0751 5.2011 5.2011 5.3916 5.3916 5.4873 5.4873 5.5440 5.5440 5.8691 5.8691 5.9829 5.9829 6.3820 6.3820 6.7808 6.7808 6.9113 6.9113 7.0515 7.0515 7.0841 7.0841 7.6800 7.6800 7.7519 7.7519 8.0204 8.0204 8.1495 8.1495 8.6114 8.6114 8.7390 8.7390 9.7187 9.7187 11.4355 11.4355 11.8802 11.8802 14.0519 14.0519 k = 0.3750 0.2165 0.6124 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6091 3.6091 4.5601 4.5601 4.6956 4.6956 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5436 5.5436 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9132 6.9132 7.0598 7.0598 7.0736 7.0736 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1484 8.1484 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8198 11.8198 14.0530 14.0530 k = 0.3750 0.2165 0.6124 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6091 3.6091 4.5601 4.5601 4.6956 4.6956 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5436 5.5436 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9132 6.9132 7.0598 7.0598 7.0736 7.0736 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1484 8.1484 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8198 11.8198 14.0530 14.0530 k = 0.3665 0.2116 0.5985 ( 13060 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6962 2.6962 3.6727 3.6727 4.5471 4.5471 4.6690 4.6690 5.0814 5.0814 5.1603 5.1603 5.3590 5.3590 5.4671 5.4671 5.5369 5.5369 5.8759 5.8759 5.9764 5.9764 6.4077 6.4077 6.7953 6.7953 6.9093 6.9093 7.1009 7.1009 7.1101 7.1101 7.7105 7.7105 7.7810 7.7810 8.0175 8.0175 8.1577 8.1577 8.6183 8.6183 8.7598 8.7598 9.6520 9.6520 11.4966 11.4966 11.8354 11.8354 14.2297 14.2297 k = 0.3580 0.2067 0.5845 ( 13056 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6480 2.6480 3.7354 3.7354 4.5378 4.5378 4.6436 4.6436 5.0801 5.0801 5.1216 5.1216 5.3221 5.3221 5.4437 5.4437 5.5375 5.5375 5.8884 5.8884 5.9741 5.9741 6.4313 6.4313 6.7958 6.7958 6.9148 6.9148 7.1389 7.1389 7.1489 7.1489 7.7369 7.7369 7.8110 7.8110 8.0147 8.0147 8.1682 8.1682 8.6271 8.6271 8.7856 8.7856 9.5983 9.5983 11.4988 11.4988 11.8518 11.8518 14.4062 14.4062 k = 0.3494 0.2017 0.5706 ( 13058 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.5975 2.5975 3.7950 3.7950 4.5326 4.5326 4.6210 4.6210 5.0605 5.0605 5.0955 5.0955 5.2810 5.2810 5.4212 5.4212 5.5399 5.5399 5.9049 5.9049 5.9755 5.9755 6.4541 6.4541 6.7853 6.7853 6.9314 6.9314 7.1721 7.1721 7.1897 7.1897 7.7627 7.7627 7.8373 7.8373 8.0127 8.0127 8.1813 8.1813 8.6372 8.6372 8.8145 8.8145 9.5571 9.5571 11.5013 11.5013 11.8688 11.8688 14.5818 14.5818 k = 0.3409 0.1968 0.5567 ( 13070 PWs) bands (ev): -36.7522 -36.7522 -36.7511 -36.7511 2.5448 2.5448 3.8491 3.8491 4.5291 4.5291 4.6057 4.6057 5.0202 5.0202 5.0841 5.0841 5.2382 5.2382 5.4007 5.4007 5.5417 5.5417 5.9233 5.9233 5.9824 5.9824 6.4762 6.4762 6.7676 6.7676 6.9561 6.9561 7.1999 7.1999 7.2311 7.2311 7.7870 7.7870 7.8580 7.8580 8.0146 8.0146 8.1986 8.1986 8.6490 8.6490 8.8468 8.8468 9.5276 9.5276 11.5041 11.5041 11.8866 11.8866 14.7554 14.7554 k = 0.3324 0.1919 0.5428 ( 13066 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.4902 2.4902 3.8952 3.8952 4.5205 4.5205 4.6064 4.6064 4.9755 4.9755 5.0699 5.0699 5.1968 5.1968 5.3822 5.3822 5.5417 5.5417 5.9405 5.9405 5.9973 5.9973 6.4973 6.4973 6.7464 6.7464 6.9858 6.9858 7.2214 7.2214 7.2727 7.2727 7.8086 7.8086 7.8727 7.8727 8.0244 8.0244 8.2205 8.2205 8.6625 8.6625 8.8823 8.8823 9.5088 9.5088 11.5071 11.5071 11.9051 11.9051 14.9256 14.9256 k = 0.3239 0.1870 0.5289 ( 13066 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.4337 2.4337 3.9310 3.9310 4.5033 4.5033 4.6267 4.6267 4.9312 4.9312 5.0472 5.0472 5.1606 5.1606 5.3654 5.3654 5.5395 5.5395 5.9547 5.9547 6.0210 6.0210 6.5173 6.5173 6.7239 6.7239 7.0187 7.0187 7.2357 7.2357 7.3143 7.3143 7.8259 7.8259 7.8837 7.8837 8.0436 8.0436 8.2469 8.2469 8.6780 8.6780 8.9209 8.9209 9.4996 9.4996 11.5103 11.5103 11.9245 11.9245 15.0896 15.0896 k = 0.3153 0.1821 0.5149 ( 13068 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.3756 2.3756 3.9558 3.9558 4.4811 4.4811 4.6599 4.6599 4.8906 4.8906 5.0149 5.0149 5.1319 5.1319 5.3503 5.3503 5.5347 5.5347 5.9670 5.9670 6.0514 6.0514 6.5365 6.5365 6.7009 6.7009 7.0536 7.0536 7.2434 7.2434 7.3559 7.3559 7.8381 7.8381 7.8956 7.8956 8.0714 8.0714 8.2771 8.2771 8.6958 8.6958 8.9625 8.9625 9.4985 9.4985 11.5137 11.5137 11.9449 11.9449 15.2378 15.2378 k = 0.3068 0.1771 0.5010 ( 13072 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.3161 2.3161 3.9702 3.9702 4.4568 4.4568 4.6915 4.6915 4.8620 4.8620 4.9769 4.9769 5.1094 5.1094 5.3370 5.3370 5.5276 5.5276 5.9779 5.9779 6.0862 6.0862 6.5550 6.5550 6.6779 6.6779 7.0897 7.0897 7.2462 7.2462 7.3972 7.3972 7.8466 7.8466 7.9105 7.9105 8.1057 8.1057 8.3106 8.3106 8.7162 8.7162 9.0066 9.0066 9.5043 9.5043 11.5173 11.5173 11.9663 11.9663 15.2071 15.2071 k = 0.2983 0.1722 0.4871 ( 13072 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.2553 2.2553 3.9756 3.9756 4.4316 4.4316 4.6973 4.6973 4.8546 4.8546 4.9473 4.9473 5.0902 5.0902 5.3261 5.3261 5.5188 5.5188 5.9870 5.9870 6.1243 6.1243 6.5734 6.5734 6.6550 6.6550 7.1261 7.1261 7.2474 7.2474 7.4383 7.4383 7.8542 7.8542 7.9280 7.9280 8.1445 8.1445 8.3465 8.3465 8.7394 8.7394 9.0531 9.0531 9.5158 9.5158 11.5210 11.5210 11.9888 11.9888 15.0593 15.0593 k = 0.2898 0.1673 0.4732 ( 13074 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1936 2.1936 3.9741 3.9741 4.4060 4.4060 4.6715 4.6715 4.8366 4.8366 4.9611 4.9611 5.0723 5.0723 5.3186 5.3186 5.5099 5.5099 5.9928 5.9928 6.1651 6.1651 6.5894 6.5894 6.6352 6.6352 7.1616 7.1616 7.2515 7.2515 7.4790 7.4790 7.8620 7.8620 7.9474 7.9474 8.1861 8.1861 8.3846 8.3846 8.7657 8.7657 9.1017 9.1017 9.5321 9.5321 11.5248 11.5248 12.0125 12.0125 14.9083 14.9083 k = 0.2812 0.1624 0.4593 ( 13074 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.1310 2.1310 3.9675 3.9675 4.3801 4.3801 4.6309 4.6309 4.7938 4.7938 5.0098 5.0098 5.0551 5.0551 5.3160 5.3160 5.5037 5.5037 5.9946 5.9946 6.2079 6.2079 6.5845 6.5845 6.6384 6.6384 7.1938 7.1938 7.2636 7.2636 7.5193 7.5193 7.8701 7.8701 7.9686 7.9686 8.2288 8.2288 8.4249 8.4249 8.7953 8.7953 9.1522 9.1522 9.5523 9.5523 11.5285 11.5285 12.0377 12.0377 14.7577 14.7577 k = 0.2727 0.1575 0.4454 ( 13094 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0678 2.0678 3.9572 3.9572 4.3540 4.3540 4.5850 4.5850 4.7435 4.7435 5.0350 5.0350 5.0621 5.0621 5.3188 5.3188 5.5054 5.5054 5.9926 5.9926 6.2514 6.2514 6.5590 6.5590 6.6664 6.6664 7.2214 7.2214 7.2868 7.2868 7.5591 7.5591 7.8782 7.8782 7.9916 7.9916 8.2709 8.2709 8.4680 8.4680 8.8283 8.8283 9.2042 9.2042 9.5758 9.5758 11.5322 11.5322 12.0644 12.0644 14.6080 14.6080 k = 0.2642 0.1525 0.4314 ( 13086 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 2.0041 2.0041 3.9444 3.9444 4.3276 4.3276 4.5371 4.5371 4.6910 4.6910 5.0182 5.0182 5.0964 5.0964 5.3235 5.3235 5.5221 5.5221 5.9896 5.9896 6.2920 6.2920 6.5321 6.5321 6.7046 6.7046 7.2470 7.2470 7.3192 7.3192 7.5984 7.5984 7.8860 7.8860 8.0162 8.0162 8.3106 8.3106 8.5144 8.5144 8.8645 8.8645 9.2577 9.2577 9.6020 9.6020 11.5357 11.5357 12.0928 12.0928 14.4594 14.4594 k = 0.2557 0.1476 0.4175 ( 13074 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.9402 1.9402 3.9298 3.9298 4.3010 4.3010 4.4886 4.4886 4.6379 4.6379 5.0006 5.0006 5.1135 5.1135 5.3229 5.3229 5.5557 5.5557 5.9911 5.9911 6.3203 6.3203 6.5170 6.5170 6.7502 6.7502 7.2746 7.2746 7.3563 7.3563 7.6372 7.6372 7.8934 7.8934 8.0423 8.0423 8.3468 8.3468 8.5648 8.5648 8.9037 8.9037 9.3123 9.3123 9.6306 9.6306 11.5390 11.5390 12.1231 12.1231 14.3119 14.3119 k = 0.2472 0.1427 0.4036 ( 13074 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8763 1.8763 3.9142 3.9142 4.2741 4.2741 4.4400 4.4400 4.5847 4.5847 4.9828 4.9828 5.1172 5.1172 5.3142 5.3142 5.5943 5.5943 6.0068 6.0068 6.3223 6.3223 6.5296 6.5296 6.8022 6.8022 7.3060 7.3060 7.3953 7.3953 7.6755 7.6755 7.9005 7.9005 8.0695 8.0695 8.3790 8.3790 8.6191 8.6191 8.9458 8.9458 9.3680 9.3680 9.6613 9.6613 11.5419 11.5419 12.1555 12.1555 14.1658 14.1658 k = 0.2386 0.1378 0.3897 ( 13068 PWs) bands (ev): -36.7529 -36.7529 -36.7503 -36.7503 1.8125 1.8125 3.8979 3.8979 4.2468 4.2468 4.3917 4.3917 4.5320 4.5320 4.9651 4.9651 5.1126 5.1126 5.2994 5.2994 5.6197 5.6197 6.0469 6.0469 6.2984 6.2984 6.5709 6.5709 6.8599 6.8599 7.3414 7.3414 7.4349 7.4349 7.7132 7.7132 7.9074 7.9074 8.0975 8.0975 8.4073 8.4073 8.6769 8.6769 8.9904 8.9904 9.4244 9.4244 9.6937 9.6937 11.5443 11.5443 12.1901 12.1901 14.0209 14.0209 k = 0.2301 0.1329 0.3758 ( 13068 PWs) bands (ev): -36.7530 -36.7530 -36.7503 -36.7503 1.7490 1.7490 3.8813 3.8813 4.2191 4.2191 4.3441 4.3441 4.4798 4.4798 4.9476 4.9476 5.1031 5.1031 5.2813 5.2813 5.6223 5.6223 6.1136 6.1136 6.2631 6.2631 6.6293 6.6293 6.9226 6.9226 7.3806 7.3806 7.4744 7.4744 7.7503 7.7503 7.9143 7.9143 8.1263 8.1263 8.4322 8.4322 8.7375 8.7375 9.0371 9.0371 9.4815 9.4815 9.7278 9.7278 11.5460 11.5460 12.2272 12.2272 13.8773 13.8773 k = 0.2216 0.1279 0.3619 ( 13060 PWs) bands (ev): -36.7530 -36.7530 -36.7502 -36.7502 1.6861 1.6861 3.8646 3.8646 4.1911 4.1911 4.2972 4.2972 4.4285 4.4285 4.9304 4.9304 5.0903 5.0903 5.2616 5.2616 5.6053 5.6053 6.1809 6.1809 6.2438 6.2438 6.6972 6.6972 6.9899 6.9899 7.4229 7.4229 7.5133 7.5133 7.7866 7.7866 7.9219 7.9219 8.1554 8.1554 8.4544 8.4544 8.8001 8.8001 9.0858 9.0858 9.5389 9.5389 9.7634 9.7634 11.5469 11.5469 12.2669 12.2669 13.7351 13.7351 k = 0.2131 0.1230 0.3479 ( 13080 PWs) bands (ev): -36.7531 -36.7531 -36.7501 -36.7501 1.6238 1.6238 3.8481 3.8481 4.1626 4.1626 4.2513 4.2513 4.3781 4.3781 4.9136 4.9136 5.0752 5.0752 5.2414 5.2414 5.5756 5.5756 6.1613 6.1613 6.3226 6.3226 6.7711 6.7711 7.0614 7.0614 7.4683 7.4683 7.5514 7.5514 7.8215 7.8215 7.9307 7.9307 8.1849 8.1849 8.4744 8.4744 8.8640 8.8640 9.1360 9.1360 9.5966 9.5966 9.8004 9.8004 11.5468 11.5468 12.3094 12.3094 13.5944 13.5944 k = 0.2045 0.1181 0.3340 ( 13090 PWs) bands (ev): -36.7532 -36.7532 -36.7501 -36.7501 1.5624 1.5624 3.8318 3.8318 4.1338 4.1338 4.2064 4.2064 4.3288 4.3288 4.8972 4.8972 5.0585 5.0585 5.2213 5.2213 5.5386 5.5386 6.1197 6.1197 6.4291 6.4291 6.8495 6.8495 7.1367 7.1367 7.5164 7.5164 7.5887 7.5887 7.8538 7.8538 7.9426 7.9426 8.2147 8.2147 8.4928 8.4928 8.9287 8.9287 9.1876 9.1876 9.6541 9.6541 9.8388 9.8388 11.5455 11.5455 12.3549 12.3549 13.4551 13.4551 k = 0.1960 0.1132 0.3201 ( 13103 PWs) bands (ev): -36.7532 -36.7532 -36.7500 -36.7500 1.5020 1.5020 3.8158 3.8158 4.1046 4.1046 4.1627 4.1627 4.2806 4.2806 4.8812 4.8812 5.0404 5.0404 5.2017 5.2017 5.4978 5.4978 6.0773 6.0773 6.5385 6.5385 6.9310 6.9310 7.2154 7.2154 7.5672 7.5672 7.6256 7.6256 7.8810 7.8810 7.9602 7.9602 8.2446 8.2446 8.5100 8.5100 8.9936 8.9936 9.2404 9.2404 9.7113 9.7113 9.8787 9.8787 11.5427 11.5427 12.4035 12.4035 13.3173 13.3173 k = 0.1875 0.1083 0.3062 ( 13089 PWs) bands (ev): -36.7533 -36.7533 -36.7499 -36.7499 1.4429 1.4429 3.8003 3.8003 4.0752 4.0752 4.1203 4.1203 4.2338 4.2338 4.8658 4.8658 5.0212 5.0212 5.1828 5.1828 5.4554 5.4554 6.0359 6.0359 6.6464 6.6464 7.0140 7.0140 7.2964 7.2964 7.6190 7.6190 7.6650 7.6650 7.9008 7.9008 7.9863 7.9863 8.2745 8.2745 8.5265 8.5265 9.0583 9.0583 9.2942 9.2942 9.7678 9.7678 9.9202 9.9202 11.5383 11.5383 12.4553 12.4553 13.1813 13.1813 k = 0.1790 0.1033 0.2923 ( 13099 PWs) bands (ev): -36.7534 -36.7534 -36.7499 -36.7499 1.3851 1.3851 3.7854 3.7854 4.0455 4.0455 4.0792 4.0792 4.1884 4.1884 4.8510 4.8510 5.0011 5.0011 5.1648 5.1648 5.4127 5.4127 5.9963 5.9963 6.7505 6.7505 7.0968 7.0968 7.3775 7.3775 7.6648 7.6648 7.7156 7.7156 7.9143 7.9143 8.0205 8.0205 8.3044 8.3044 8.5427 8.5427 9.1227 9.1227 9.3489 9.3489 9.8231 9.8231 9.9633 9.9633 11.5319 11.5319 12.5101 12.5101 13.0472 13.0472 k = 0.1705 0.0984 0.2784 ( 13099 PWs) bands (ev): -36.7534 -36.7534 -36.7498 -36.7498 1.3288 1.3288 3.7709 3.7709 4.0158 4.0158 4.0396 4.0396 4.1445 4.1445 4.8367 4.8367 4.9803 4.9803 5.1477 5.1477 5.3707 5.3707 5.9586 5.9586 6.8501 6.8501 7.1779 7.1779 7.4554 7.4554 7.6999 7.6999 7.7843 7.7843 7.9244 7.9244 8.0610 8.0610 8.3343 8.3343 8.5590 8.5590 9.1864 9.1864 9.4044 9.4044 9.8767 9.8767 10.0083 10.0083 11.5233 11.5233 12.5673 12.5673 12.9158 12.9158 k = 0.1619 0.0935 0.2644 ( 13103 PWs) bands (ev): -36.7535 -36.7535 -36.7498 -36.7498 1.2742 1.2742 3.7571 3.7571 3.9860 3.9860 4.0014 4.0014 4.1021 4.1021 4.8231 4.8231 4.9591 4.9591 5.1315 5.1315 5.3302 5.3302 5.9230 5.9230 6.9450 6.9450 7.2557 7.2557 7.5266 7.5266 7.7286 7.7286 7.8656 7.8656 7.9343 7.9343 8.1078 8.1078 8.3640 8.3640 8.5760 8.5760 9.2493 9.2493 9.4604 9.4604 9.9281 9.9281 10.0555 10.0555 11.5123 11.5123 12.6226 12.6226 12.7916 12.7916 k = 0.1534 0.0886 0.2505 ( 13099 PWs) bands (ev): -36.7535 -36.7535 -36.7497 -36.7497 1.2214 1.2214 3.7440 3.7440 3.9564 3.9564 3.9649 3.9649 4.0615 4.0615 4.8101 4.8101 4.9375 4.9375 5.1163 5.1163 5.2917 5.2917 5.8896 5.8896 7.0355 7.0355 7.3294 7.3294 7.5894 7.5894 7.7538 7.7538 7.9286 7.9286 7.9692 7.9692 8.1637 8.1637 8.3934 8.3934 8.5947 8.5947 9.3114 9.3114 9.5168 9.5168 9.9769 9.9769 10.1049 10.1049 11.4986 11.4986 12.6201 12.6201 12.7304 12.7304 k = 0.1449 0.0837 0.2366 ( 13111 PWs) bands (ev): -36.7536 -36.7536 -36.7497 -36.7497 1.1706 1.1706 3.7315 3.7315 3.9269 3.9269 3.9302 3.9302 4.0225 4.0225 4.7978 4.7978 4.9159 4.9159 5.1018 5.1018 5.2553 5.2553 5.8583 5.8583 7.1221 7.1221 7.3986 7.3986 7.6440 7.6440 7.7763 7.7763 7.9412 7.9412 8.0508 8.0508 8.2345 8.2345 8.4226 8.4226 8.6170 8.6170 9.3727 9.3727 9.5733 9.5733 10.0228 10.0228 10.1566 10.1566 11.4818 11.4818 12.5095 12.5095 12.7827 12.7827 k = 0.1364 0.0787 0.2227 ( 13101 PWs) bands (ev): -36.7536 -36.7536 -36.7496 -36.7496 1.1219 1.1219 3.7197 3.7197 3.8961 3.8961 3.8989 3.8989 3.9855 3.9855 4.7862 4.7862 4.8944 4.8944 5.0882 5.0882 5.2214 5.2214 5.8292 5.8292 7.2049 7.2049 7.4628 7.4628 7.6917 7.6917 7.7967 7.7967 7.9490 7.9490 8.1237 8.1237 8.3225 8.3225 8.4519 8.4519 8.6467 8.6467 9.4333 9.4333 9.6298 9.6298 10.0657 10.0657 10.2101 10.2101 11.4620 11.4620 12.3861 12.3861 12.8531 12.8531 k = 0.1278 0.0738 0.2088 ( 13097 PWs) bands (ev): -36.7537 -36.7537 -36.7496 -36.7496 1.0755 1.0755 3.7085 3.7085 3.8648 3.8648 3.8705 3.8705 3.9503 3.9503 4.7752 4.7752 4.8733 4.8733 5.0754 5.0754 5.1900 5.1900 5.8022 5.8022 7.2842 7.2842 7.5221 7.5221 7.7335 7.7335 7.8150 7.8150 7.9567 7.9567 8.1835 8.1835 8.4141 8.4141 8.4825 8.4825 8.6923 8.6923 9.4933 9.4933 9.6859 9.6859 10.1057 10.1057 10.2651 10.2651 11.4387 11.4387 12.2623 12.2623 12.9289 12.9289 k = 0.1193 0.0689 0.1948 ( 13113 PWs) bands (ev): -36.7537 -36.7537 -36.7495 -36.7495 1.0314 1.0314 3.6981 3.6981 3.8352 3.8352 3.8432 3.8432 3.9170 3.9170 4.7649 4.7649 4.8527 4.8527 5.0634 5.0634 5.1610 5.1610 5.7773 5.7773 7.3600 7.3600 7.5762 7.5762 7.7703 7.7703 7.8317 7.8317 7.9651 7.9651 8.2352 8.2352 8.4815 8.4815 8.5206 8.5206 8.7674 8.7674 9.5529 9.5529 9.7414 9.7414 10.1430 10.1430 10.3209 10.3209 11.4120 11.4120 12.1398 12.1398 13.0084 13.0084 k = 0.1108 0.0640 0.1809 ( 13093 PWs) bands (ev): -36.7538 -36.7538 -36.7495 -36.7495 0.9898 0.9898 3.6883 3.6883 3.8073 3.8073 3.8169 3.8169 3.8859 3.8859 4.7553 4.7553 4.8328 4.8328 5.0522 5.0522 5.1346 5.1346 5.7544 5.7544 7.4321 7.4321 7.6251 7.6251 7.8025 7.8025 7.8467 7.8467 7.9745 7.9745 8.2826 8.2826 8.5176 8.5176 8.5625 8.5625 8.8764 8.8764 9.6122 9.6122 9.7960 9.7960 10.1778 10.1778 10.3769 10.3769 11.3818 11.3818 12.0190 12.0190 13.0909 13.0909 k = 0.1023 0.0590 0.1670 ( 13097 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9508 0.9508 3.6792 3.6792 3.7813 3.7813 3.7918 3.7918 3.8568 3.8568 4.7464 4.7464 4.8138 4.8138 5.0417 5.0417 5.1105 5.1105 5.7336 5.7336 7.5003 7.5003 7.6689 7.6689 7.8300 7.8300 7.8605 7.8605 7.9853 7.9853 8.3272 8.3272 8.5440 8.5440 8.5947 8.5947 9.0073 9.0073 9.6716 9.6716 9.8492 9.8492 10.2102 10.2102 10.4325 10.4325 11.3480 11.3480 11.9003 11.9003 13.1757 13.1757 k = 0.0938 0.0541 0.1531 ( 13109 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9145 0.9145 3.6709 3.6709 3.7572 3.7572 3.7681 3.7681 3.8299 3.8299 4.7383 4.7383 4.7959 4.7959 5.0320 5.0320 5.0888 5.0888 5.7147 5.7147 7.5642 7.5642 7.7078 7.7078 7.8528 7.8528 7.8734 7.8734 7.9979 7.9979 8.3692 8.3692 8.5675 8.5675 8.6196 8.6196 9.1481 9.1481 9.7312 9.7312 9.9010 9.9010 10.2402 10.2402 10.4873 10.4873 11.3107 11.3107 11.7837 11.7837 13.2621 13.2621 k = 0.0852 0.0492 0.1392 ( 13109 PWs) bands (ev): -36.7539 -36.7539 -36.7494 -36.7494 0.8811 0.8811 3.6632 3.6632 3.7350 3.7350 3.7460 3.7460 3.8052 3.8052 4.7308 4.7308 4.7791 4.7791 5.0231 5.0231 5.0693 5.0693 5.6976 5.6976 7.6233 7.6233 7.7418 7.7418 7.8707 7.8707 7.8858 7.8858 8.0123 8.0123 8.4085 8.4085 8.5896 8.5896 8.6408 8.6408 9.2920 9.2920 9.7913 9.7913 9.9509 9.9509 10.2680 10.2680 10.5405 10.5405 11.2702 11.2702 11.6696 11.6696 13.3494 13.3494 k = 0.0767 0.0443 0.1253 ( 13109 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8505 0.8505 3.6561 3.6561 3.7149 3.7149 3.7255 3.7255 3.7828 3.7828 4.7240 4.7240 4.7637 4.7637 5.0150 5.0150 5.0519 5.0519 5.6824 5.6824 7.6772 7.6772 7.7712 7.7712 7.8842 7.8842 7.8978 7.8978 8.0281 8.0281 8.4443 8.4443 8.6111 8.6111 8.6599 8.6599 9.4349 9.4349 9.8518 9.8518 9.9988 9.9988 10.2936 10.2936 10.5915 10.5915 11.2265 11.2265 11.5583 11.5583 13.4367 13.4367 k = 0.0682 0.0394 0.1113 ( 13121 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8229 0.8229 3.6497 3.6497 3.6968 3.6968 3.7069 3.7069 3.7626 3.7626 4.7180 4.7180 4.7496 4.7496 5.0078 5.0078 5.0365 5.0365 5.6690 5.6690 7.7251 7.7251 7.7964 7.7964 7.8949 7.8949 7.9089 7.9089 8.0448 8.0448 8.4758 8.4758 8.6326 8.6326 8.6775 8.6775 9.5737 9.5737 9.9130 9.9130 10.0448 10.0448 10.3173 10.3173 10.6396 10.6396 11.1799 11.1799 11.4500 11.4500 13.5227 13.5227 k = 0.0597 0.0344 0.0974 ( 13123 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7984 0.7984 3.6437 3.6437 3.6808 3.6808 3.6903 3.6903 3.7448 3.7448 4.7126 4.7126 4.7371 4.7371 5.0013 5.0013 5.0231 5.0231 5.6573 5.6573 7.7667 7.7667 7.8176 7.8176 7.9041 7.9041 7.9186 7.9186 8.0618 8.0618 8.5024 8.5024 8.6542 8.6542 8.6936 8.6936 9.7055 9.7055 9.9744 9.9744 10.0893 10.0893 10.3393 10.3393 10.6838 10.6838 11.1307 11.1307 11.3454 11.3454 13.6062 13.6062 k = 0.0511 0.0295 0.0835 ( 13137 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7770 0.7770 3.6383 3.6383 3.6672 3.6672 3.6758 3.6758 3.7293 3.7293 4.7080 4.7080 4.7261 4.7261 4.9957 4.9957 5.0116 5.0116 5.6473 5.6473 7.8013 7.8013 7.8351 7.8351 7.9126 7.9126 7.9268 7.9268 8.0784 8.0784 8.5241 8.5241 8.6757 8.6757 8.7082 8.7082 9.8272 9.8272 10.0348 10.0348 10.1343 10.1343 10.3601 10.3601 10.7233 10.7233 11.0794 11.0794 11.2451 11.2451 13.6854 13.6854 k = 0.0426 0.0246 0.0696 ( 13139 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7588 0.7588 3.6331 3.6331 3.6561 3.6561 3.6635 3.6635 3.7162 3.7162 4.7041 4.7041 4.7167 4.7167 4.9910 4.9910 5.0019 5.0019 5.6389 5.6389 7.8287 7.8287 7.8492 7.8492 7.9211 7.9211 7.9337 7.9337 8.0939 8.0939 8.5410 8.5410 8.6963 8.6963 8.7210 8.7210 9.9347 9.9347 10.0904 10.0904 10.1844 10.1844 10.3804 10.3804 10.7566 10.7566 11.0261 11.0261 11.1508 11.1508 13.7586 13.7586 k = 0.0341 0.0197 0.0557 ( 13143 PWs) bands (ev): -36.7540 -36.7540 -36.7492 -36.7492 0.7439 0.7439 3.6282 3.6282 3.6476 3.6476 3.6534 3.6534 3.7054 3.7054 4.7009 4.7009 4.7090 4.7090 4.9871 4.9871 4.9940 4.9940 5.6321 5.6321 7.8490 7.8490 7.8601 7.8601 7.9295 7.9295 7.9394 7.9394 8.1077 8.1077 8.5539 8.5539 8.7150 8.7150 8.7319 8.7319 10.0237 10.0237 10.1350 10.1350 10.2459 10.2459 10.4012 10.4012 10.7817 10.7817 10.9709 10.9709 11.0656 11.0656 13.8235 13.8235 k = 0.0256 0.0148 0.0418 ( 13155 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7322 0.7322 3.6235 3.6235 3.6417 3.6417 3.6455 3.6455 3.6970 3.6970 4.6984 4.6984 4.7030 4.7030 4.9841 4.9841 4.9879 4.9879 5.6268 5.6268 7.8630 7.8630 7.8683 7.8683 7.9375 7.9375 7.9439 7.9439 8.1193 8.1193 8.5632 8.5632 8.7306 8.7306 8.7407 8.7407 10.0918 10.0918 10.1667 10.1667 10.3178 10.3178 10.4234 10.4234 10.7954 10.7954 10.9126 10.9126 10.9969 10.9969 13.8777 13.8777 k = 0.0170 0.0098 0.0278 ( 13169 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7238 0.7238 3.6197 3.6197 3.6380 3.6380 3.6398 3.6398 3.6910 3.6910 4.6966 4.6966 4.6986 4.6986 4.9819 4.9819 4.9836 4.9836 5.6231 5.6231 7.8718 7.8718 7.8738 7.8738 7.9441 7.9441 7.9472 7.9472 8.1280 8.1280 8.5696 8.5696 8.7425 8.7425 8.7471 8.7471 10.1392 10.1392 10.1877 10.1877 10.3903 10.3903 10.4463 10.4463 10.7945 10.7945 10.8516 10.8516 10.9536 10.9536 13.9187 13.9187 k = 0.0085 0.0049 0.0139 ( 13131 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7188 0.7188 3.6172 3.6172 3.6360 3.6360 3.6364 3.6364 3.6874 3.6874 4.6955 4.6955 4.6960 4.6960 4.9806 4.9806 4.9810 4.9810 5.6209 5.6209 7.8766 7.8766 7.8770 7.8770 7.9484 7.9484 7.9492 7.9492 8.1334 8.1334 8.5732 8.5732 8.7498 8.7498 8.7510 8.7510 10.1670 10.1670 10.1999 10.1999 10.4493 10.4493 10.4658 10.4658 10.7832 10.7832 10.7990 10.7990 10.9347 10.9347 13.9444 13.9461 k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7171 0.7171 3.6163 3.6163 3.6353 3.6353 3.6353 3.6353 3.6862 3.6862 4.6952 4.6952 4.6952 4.6952 4.9801 4.9801 4.9802 4.9802 5.6201 5.6201 7.8781 7.8781 7.8781 7.8781 7.9499 7.9499 7.9499 7.9499 8.1352 8.1352 8.5744 8.5744 8.7523 8.7523 8.7523 8.7523 10.1762 10.1762 10.2038 10.2038 10.4739 10.4739 10.4739 10.4739 10.7765 10.7765 10.7765 10.7765 10.9301 10.9301 13.9532 13.9532 k = 0.0000 0.0000 0.0000 ( 13107 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7171 0.7171 3.6163 3.6163 3.6353 3.6353 3.6353 3.6353 3.6862 3.6862 4.6952 4.6952 4.6952 4.6952 4.9801 4.9801 4.9802 4.9802 5.6201 5.6201 7.8781 7.8781 7.8781 7.8781 7.9499 7.9499 7.9499 7.9499 8.1352 8.1352 8.5744 8.5744 8.7523 8.7523 8.7523 8.7523 10.1762 10.1762 10.2038 10.2038 10.4739 10.4739 10.4739 10.4739 10.7765 10.7765 10.7765 10.7765 10.9301 10.9301 13.9532 13.9532 k = 0.0139 0.0080 0.0057 ( 13128 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7188 0.7188 3.6172 3.6172 3.6360 3.6360 3.6364 3.6364 3.6874 3.6874 4.6957 4.6957 4.6959 4.6959 4.9806 4.9806 4.9810 4.9810 5.6209 5.6209 7.8767 7.8767 7.8769 7.8769 7.9484 7.9484 7.9492 7.9492 8.1334 8.1334 8.5732 8.5732 8.7499 8.7499 8.7509 8.7509 10.1670 10.1670 10.1999 10.1999 10.4506 10.4506 10.4647 10.4647 10.7835 10.7835 10.7984 10.7984 10.9348 10.9348 13.9489 13.9492 k = 0.0278 0.0160 0.0113 ( 13173 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7238 0.7238 3.6197 3.6197 3.6381 3.6381 3.6396 3.6396 3.6910 3.6910 4.6971 4.6971 4.6980 4.6980 4.9818 4.9818 4.9837 4.9837 5.6231 5.6231 7.8724 7.8724 7.8732 7.8732 7.9441 7.9441 7.9473 7.9473 8.1280 8.1280 8.5696 8.5696 8.7427 8.7427 8.7469 8.7469 10.1391 10.1391 10.1874 10.1874 10.3938 10.3938 10.4438 10.4438 10.7935 10.7935 10.8510 10.8510 10.9548 10.9548 13.9356 13.9357 k = 0.0417 0.0241 0.0170 ( 13155 PWs) bands (ev): -36.7541 -36.7541 -36.7492 -36.7492 0.7321 0.7321 3.6236 3.6236 3.6420 3.6420 3.6450 3.6450 3.6970 3.6970 4.6996 4.6996 4.7016 4.7016 4.9838 4.9838 4.9881 4.9881 5.6268 5.6268 7.8641 7.8641 7.8667 7.8667 7.9376 7.9376 7.9444 7.9444 8.1194 8.1194 8.5631 8.5631 8.7313 8.7313 8.7403 8.7403 10.0924 10.0924 10.1648 10.1648 10.3213 10.3213 10.4219 10.4219 10.7913 10.7913 10.9164 10.9164 10.9971 10.9971 13.9147 13.9147 k = 0.0556 0.0321 0.0227 ( 13143 PWs) bands (ev): -36.7540 -36.7540 -36.7492 -36.7492 0.7438 0.7438 3.6284 3.6284 3.6480 3.6480 3.6525 3.6525 3.7053 3.7053 4.7031 4.7031 4.7066 4.7066 4.9867 4.9867 4.9944 4.9944 5.6321 5.6321 7.8506 7.8506 7.8571 7.8571 7.9298 7.9298 7.9409 7.9409 8.1080 8.1080 8.5534 8.5534 8.7165 8.7165 8.7310 8.7310 10.0289 10.0289 10.1299 10.1299 10.2414 10.2414 10.4046 10.4046 10.7780 10.7780 10.9861 10.9861 11.0568 11.0568 13.8871 13.8871 k = 0.0694 0.0401 0.0284 ( 13143 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7586 0.7586 3.6338 3.6338 3.6565 3.6565 3.6621 3.6621 3.7160 3.7160 4.7076 4.7076 4.7130 4.7130 4.9903 4.9903 5.0025 5.0025 5.6389 5.6389 7.8303 7.8303 7.8440 7.8440 7.9219 7.9219 7.9370 7.9370 8.0944 8.0944 8.5396 8.5396 8.6997 8.6997 8.7192 8.7192 9.9516 9.9516 10.0810 10.0810 10.1579 10.1579 10.3925 10.3925 10.7614 10.7614 11.0564 11.0564 11.1258 11.1258 13.8542 13.8543 k = 0.0833 0.0481 0.0340 ( 13140 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7767 0.7767 3.6395 3.6395 3.6677 3.6677 3.6736 3.6736 3.7291 3.7291 4.7131 4.7131 4.7208 4.7208 4.9947 4.9947 5.0125 5.0125 5.6473 5.6473 7.8023 7.8023 7.8273 7.8273 7.9144 7.9144 7.9331 7.9331 8.0791 8.0791 8.5209 8.5209 8.6821 8.6821 8.7048 8.7048 9.8630 9.8630 10.0176 10.0176 10.0725 10.0725 10.3844 10.3844 10.7475 10.7475 11.1253 11.1253 11.1992 11.1992 13.8172 13.8172 k = 0.0972 0.0561 0.0397 ( 13128 PWs) bands (ev): -36.7540 -36.7540 -36.7493 -36.7493 0.7978 0.7978 3.6457 3.6457 3.6813 3.6813 3.6871 3.6871 3.7445 3.7445 4.7196 4.7196 4.7299 4.7299 4.9999 4.9999 5.0245 5.0245 5.6574 5.6574 7.7664 7.7664 7.8068 7.8068 7.9072 7.9072 7.9292 7.9292 8.0624 8.0624 8.4964 8.4964 8.6654 8.6654 8.6880 8.6880 9.7647 9.7647 9.9413 9.9413 9.9861 9.9861 10.3789 10.3789 10.7390 10.7390 11.1916 11.1916 11.2742 11.2742 13.7775 13.7775 k = 0.1111 0.0642 0.0454 ( 13116 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8221 0.8221 3.6526 3.6526 3.6972 3.6972 3.7024 3.7024 3.7622 3.7622 4.7271 4.7271 4.7403 4.7403 5.0058 5.0058 5.0384 5.0384 5.6692 5.6692 7.7229 7.7229 7.7824 7.7824 7.8997 7.8997 7.9253 7.9253 8.0444 8.0444 8.4659 8.4659 8.6504 8.6504 8.6687 8.6687 9.6571 9.6571 9.8552 9.8552 9.8995 9.8995 10.3751 10.3751 10.7366 10.7366 11.2545 11.2545 11.3492 11.3492 13.7362 13.7362 k = 0.1250 0.0722 0.0510 ( 13110 PWs) bands (ev): -36.7539 -36.7539 -36.7493 -36.7493 0.8493 0.8493 3.6603 3.6603 3.7151 3.7151 3.7195 3.7195 3.7822 3.7822 4.7357 4.7357 4.7521 4.7521 5.0124 5.0124 5.0544 5.0544 5.6828 5.6828 7.6724 7.6724 7.7544 7.7544 7.8914 7.8914 7.9215 7.9215 8.0254 8.0254 8.4299 8.4299 8.6372 8.6372 8.6469 8.6469 9.5403 9.5403 9.7631 9.7631 9.8132 9.8132 10.3724 10.3724 10.7398 10.7398 11.3133 11.3133 11.4232 11.4232 13.6944 13.6944 k = 0.1389 0.0802 0.0567 ( 13101 PWs) bands (ev): -36.7539 -36.7539 -36.7494 -36.7494 0.8793 0.8793 3.6689 3.6689 3.7349 3.7349 3.7381 3.7381 3.8044 3.8044 4.7453 4.7453 4.7651 4.7651 5.0197 5.0197 5.0725 5.0725 5.6982 5.6982 7.6156 7.6156 7.7228 7.7228 7.8812 7.8812 7.9176 7.9176 8.0053 8.0053 8.3896 8.3896 8.6226 8.6226 8.6255 8.6255 9.4149 9.4149 9.6680 9.6680 9.7278 9.7278 10.3704 10.3704 10.7475 10.7475 11.3675 11.3675 11.4954 11.4954 13.6531 13.6531 k = 0.1528 0.0882 0.0624 ( 13098 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9120 0.9120 3.6784 3.6784 3.7564 3.7564 3.7583 3.7583 3.8288 3.8288 4.7560 4.7560 4.7794 4.7794 5.0277 5.0277 5.0927 5.0927 5.7154 5.7154 7.5531 7.5531 7.6876 7.6876 7.8681 7.8681 7.9136 7.9136 7.9844 7.9844 8.3464 8.3464 8.5957 8.5957 8.6144 8.6144 9.2821 9.2821 9.5721 9.5721 9.6436 9.6436 10.3690 10.3690 10.7587 10.7587 11.4166 11.4166 11.5650 11.5650 13.6130 13.6130 k = 0.1667 0.0962 0.0680 ( 13113 PWs) bands (ev): -36.7538 -36.7538 -36.7494 -36.7494 0.9473 0.9473 3.6891 3.6891 3.7795 3.7795 3.7797 3.7797 3.8553 3.8553 4.7679 4.7679 4.7950 4.7950 5.0363 5.0363 5.1150 5.1150 5.7347 5.7347 7.4854 7.4854 7.6492 7.6492 7.8500 7.8500 7.9094 7.9094 7.9635 7.9635 8.3018 8.3018 8.5660 8.5660 8.6028 8.6028 9.1445 9.1445 9.4766 9.4766 9.5613 9.5613 10.3678 10.3678 10.7722 10.7722 11.4602 11.4602 11.6315 11.6315 13.5748 13.5748 k = 0.1806 0.1042 0.0737 ( 13116 PWs) bands (ev): -36.7538 -36.7538 -36.7495 -36.7495 0.9851 0.9851 3.7009 3.7009 3.8024 3.8024 3.8039 3.8039 3.8839 3.8839 4.7810 4.7810 4.8119 4.8119 5.0456 5.0456 5.1396 5.1396 5.7559 5.7559 7.4133 7.4133 7.6077 7.6077 7.8250 7.8250 7.9049 7.9049 7.9436 7.9436 8.2574 8.2574 8.5333 8.5333 8.5887 8.5887 9.0055 9.0055 9.3820 9.3820 9.4815 9.4815 10.3669 10.3669 10.7874 10.7874 11.4980 11.4980 11.6945 11.6945 13.5392 13.5392 k = 0.1944 0.1123 0.0794 ( 13122 PWs) bands (ev): -36.7537 -36.7537 -36.7495 -36.7495 1.0250 1.0250 3.7140 3.7140 3.8259 3.8259 3.8294 3.8294 3.9144 3.9144 4.7954 4.7954 4.8302 4.8302 5.0556 5.0556 5.1663 5.1663 5.7791 5.7791 7.3371 7.3371 7.5632 7.5632 7.7909 7.7909 7.9001 7.9001 7.9255 7.9255 8.2140 8.2140 8.4973 8.4973 8.5672 8.5672 8.8718 8.8718 9.2887 9.2887 9.4047 9.4047 10.3661 10.3661 10.8035 10.8035 11.5299 11.5299 11.7533 11.7533 13.5067 13.5067 k = 0.2083 0.1203 0.0851 ( 13113 PWs) bands (ev): -36.7537 -36.7537 -36.7496 -36.7496 1.0670 1.0670 3.7285 3.7285 3.8503 3.8503 3.8559 3.8559 3.9467 3.9467 4.8111 4.8111 4.8500 4.8500 5.0662 5.0662 5.1951 5.1951 5.8044 5.8044 7.2575 7.2575 7.5160 7.5160 7.7473 7.7473 7.8948 7.8948 7.9090 7.9090 8.1721 8.1721 8.4579 8.4579 8.5265 8.5265 8.7575 8.7575 9.1969 9.1969 9.3316 9.3316 10.3654 10.3654 10.8200 10.8200 11.5561 11.5561 11.8078 11.8078 13.4776 13.4776 k = 0.2222 0.1283 0.0907 ( 13107 PWs) bands (ev): -36.7536 -36.7536 -36.7496 -36.7496 1.1108 1.1108 3.7445 3.7445 3.8752 3.8752 3.8832 3.8832 3.9807 3.9807 4.8282 4.8282 4.8713 4.8713 5.0775 5.0775 5.2260 5.2260 5.8317 5.8317 7.1749 7.1749 7.4664 7.4664 7.6944 7.6944 7.8889 7.8889 7.8930 7.8930 8.1306 8.1306 8.4146 8.4146 8.4482 8.4482 8.6838 8.6838 9.1069 9.1069 9.2628 9.2628 10.3649 10.3649 10.8366 10.8366 11.5766 11.5766 11.8574 11.8574 13.4523 13.4523 k = 0.2361 0.1363 0.0964 ( 13089 PWs) bands (ev): -36.7536 -36.7536 -36.7497 -36.7497 1.1560 1.1560 3.7621 3.7621 3.9004 3.9004 3.9109 3.9109 4.0163 4.0163 4.8468 4.8468 4.8942 4.8942 5.0896 5.0896 5.2589 5.2589 5.8609 5.8609 7.0897 7.0897 7.4146 7.4146 7.6332 7.6332 7.8762 7.8762 7.8823 7.8823 8.0857 8.0857 8.3412 8.3412 8.3676 8.3676 8.6475 8.6475 9.0191 9.0191 9.1988 9.1988 10.3644 10.3644 10.8529 10.8529 11.5918 11.5918 11.9020 11.9020 13.4309 13.4309 k = 0.2500 0.1443 0.1021 ( 13077 PWs) bands (ev): -36.7535 -36.7535 -36.7497 -36.7497 1.2026 1.2026 3.7814 3.7814 3.9257 3.9257 3.9390 3.9390 4.0532 4.0532 4.8671 4.8671 4.9188 4.9188 5.1025 5.1025 5.2938 5.2938 5.8921 5.8921 7.0023 7.0023 7.3609 7.3609 7.5650 7.5650 7.8562 7.8562 7.8745 7.8745 8.0281 8.0281 8.2372 8.2372 8.3169 8.3169 8.6279 8.6279 8.9341 8.9341 9.1401 9.1401 10.3640 10.3640 10.8687 10.8687 11.6021 11.6021 11.9415 11.9415 13.4136 13.4136 k = 0.2639 0.1524 0.1077 ( 13071 PWs) bands (ev): -36.7535 -36.7535 -36.7498 -36.7498 1.2501 1.2501 3.8026 3.8026 3.9509 3.9509 3.9670 3.9670 4.0912 4.0912 4.8890 4.8890 4.9451 4.9451 5.1162 5.1162 5.3304 5.3304 5.9250 5.9250 6.9133 6.9133 7.3057 7.3057 7.4907 7.4907 7.8270 7.8270 7.8652 7.8652 7.9491 7.9491 8.1613 8.1613 8.2631 8.2631 8.6139 8.6139 8.8530 8.8530 9.0868 9.0868 10.3636 10.3636 10.8838 10.8838 11.6081 11.6081 11.9758 11.9758 13.4003 13.4003 k = 0.2778 0.1604 0.1134 ( 13077 PWs) bands (ev): -36.7534 -36.7534 -36.7498 -36.7498 1.2981 1.2981 3.8257 3.8257 3.9757 3.9757 3.9949 3.9949 4.1301 4.1301 4.9126 4.9126 4.9733 4.9733 5.1309 5.1309 5.3687 5.3687 5.9595 5.9595 6.8231 6.8231 7.2494 7.2494 7.4115 7.4115 7.7666 7.7666 7.8536 7.8536 7.8731 7.8731 8.1150 8.1150 8.2071 8.2071 8.6001 8.6001 8.7780 8.7780 9.0391 9.0391 10.3633 10.3633 10.8981 10.8981 11.6104 11.6104 12.0050 12.0050 13.3907 13.3907 k = 0.2917 0.1684 0.1191 ( 13065 PWs) bands (ev): -36.7534 -36.7534 -36.7499 -36.7499 1.3465 1.3465 3.8510 3.8510 3.9999 3.9999 4.0224 4.0224 4.1696 4.1696 4.9381 4.9381 5.0033 5.0033 5.1465 5.1465 5.4085 5.4085 5.9951 5.9951 6.7322 6.7322 7.1922 7.1922 7.3281 7.3281 7.6606 7.6606 7.8287 7.8287 7.8384 7.8384 8.0854 8.0854 8.1507 8.1507 8.5810 8.5810 8.7136 8.7136 8.9967 8.9967 10.3630 10.3630 10.9116 10.9116 11.6095 11.6095 12.0295 12.0295 13.3846 13.3846 k = 0.3056 0.1764 0.1247 ( 13065 PWs) bands (ev): -36.7533 -36.7533 -36.7499 -36.7499 1.3946 1.3946 3.8784 3.8784 4.0232 4.0232 4.0493 4.0493 4.2093 4.2093 4.9654 4.9654 5.0353 5.0353 5.1630 5.1630 5.4493 5.4493 6.0313 6.0313 6.6415 6.6415 7.1348 7.1348 7.2412 7.2412 7.5386 7.5386 7.7953 7.7953 7.8177 7.8177 8.0641 8.0641 8.0964 8.0964 8.5487 8.5487 8.6677 8.6677 8.9593 8.9593 10.3627 10.3627 10.9241 10.9241 11.6061 11.6061 12.0494 12.0494 13.3816 13.3816 k = 0.3194 0.1844 0.1304 ( 13080 PWs) bands (ev): -36.7533 -36.7533 -36.7500 -36.7500 1.4422 1.4422 3.9080 3.9080 4.0455 4.0455 4.0755 4.0755 4.2488 4.2488 4.9947 4.9947 5.0691 5.0691 5.1804 5.1804 5.4911 5.4911 6.0671 6.0671 6.5520 6.5520 7.0774 7.0774 7.1520 7.1520 7.4159 7.4159 7.7614 7.7614 7.7887 7.7887 8.0477 8.0477 8.0479 8.0479 8.5014 8.5014 8.6424 8.6424 8.9265 8.9265 10.3624 10.3624 10.9357 10.9357 11.6006 11.6006 12.0652 12.0652 13.3814 13.3814 k = 0.3333 0.1925 0.1361 ( 13083 PWs) bands (ev): -36.7532 -36.7532 -36.7500 -36.7500 1.4888 1.4888 3.9398 3.9398 4.0666 4.0666 4.1010 4.1010 4.2878 4.2878 5.0258 5.0258 5.1047 5.1047 5.1983 5.1983 5.5333 5.5333 6.1008 6.1008 6.4654 6.4654 7.0209 7.0209 7.0616 7.0616 7.2972 7.2972 7.7242 7.7242 7.7492 7.7492 8.0076 8.0076 8.0349 8.0349 8.4481 8.4481 8.6294 8.6294 8.8980 8.8980 10.3622 10.3622 10.9462 10.9462 11.5937 11.5937 12.0774 12.0774 13.3833 13.3833 k = 0.3472 0.2005 0.1418 ( 13077 PWs) bands (ev): -36.7532 -36.7532 -36.7501 -36.7501 1.5339 1.5339 3.9735 3.9735 4.0863 4.0863 4.1258 4.1258 4.3258 4.3258 5.0588 5.0588 5.1419 5.1419 5.2163 5.2163 5.5754 5.5754 6.1288 6.1288 6.3853 6.3853 6.9657 6.9657 6.9724 6.9724 7.1842 7.1842 7.6824 7.6824 7.6989 7.6989 7.9773 7.9773 8.0244 8.0244 8.3959 8.3959 8.6217 8.6217 8.8732 8.8732 10.3620 10.3620 10.9558 10.9558 11.5859 11.5859 12.0865 12.0865 13.3869 13.3869 k = 0.3611 0.2085 0.1474 ( 13089 PWs) bands (ev): -36.7531 -36.7531 -36.7501 -36.7501 1.5771 1.5771 4.0088 4.0088 4.1045 4.1045 4.1502 4.1502 4.3623 4.3623 5.0935 5.0935 5.1805 5.1805 5.2336 5.2336 5.6169 5.6169 6.1429 6.1429 6.3188 6.3188 6.8878 6.8878 6.9126 6.9126 7.0773 7.0773 7.6358 7.6358 7.6398 7.6398 7.9556 7.9556 8.0157 8.0157 8.3481 8.3481 8.6166 8.6166 8.8517 8.8517 10.3618 10.3618 10.9645 10.9645 11.5774 11.5774 12.0930 12.0930 13.3918 13.3918 k = 0.3750 0.2165 0.1531 ( 13071 PWs) bands (ev): -36.7531 -36.7531 -36.7502 -36.7502 1.6179 1.6179 4.0447 4.0447 4.1211 4.1211 4.1749 4.1749 4.3969 4.3969 5.1294 5.1294 5.2202 5.2202 5.2492 5.2492 5.6570 5.6570 6.1293 6.1293 6.2781 6.2781 6.8131 6.8131 6.8625 6.8625 6.9766 6.9766 7.5752 7.5752 7.5844 7.5844 7.9402 7.9402 8.0086 8.0086 8.3058 8.3058 8.6129 8.6129 8.8332 8.8332 10.3617 10.3617 10.9722 10.9722 11.5688 11.5688 12.0974 12.0974 13.3974 13.3974 k = 0.3889 0.2245 0.1588 ( 13071 PWs) bands (ev): -36.7530 -36.7530 -36.7502 -36.7502 1.6559 1.6559 4.0798 4.0798 4.1361 4.1361 4.2011 4.2011 4.4290 4.4290 5.1652 5.1652 5.2605 5.2605 5.2624 5.2624 5.6948 5.6948 6.0895 6.0895 6.2589 6.2589 6.7547 6.7547 6.8164 6.8164 6.8823 6.8823 7.5081 7.5081 7.5284 7.5284 7.9289 7.9289 8.0026 8.0026 8.2694 8.2694 8.6101 8.6101 8.8174 8.8174 10.3615 10.3615 10.9790 10.9790 11.5604 11.5604 12.1001 12.1001 13.4034 13.4034 k = 0.4028 0.2325 0.1644 ( 13082 PWs) bands (ev): -36.7530 -36.7530 -36.7502 -36.7502 1.6905 1.6905 4.1119 4.1119 4.1493 4.1493 4.2304 4.2304 4.4583 4.4583 5.1964 5.1964 5.2751 5.2751 5.3009 5.3009 5.7292 5.7292 6.0449 6.0449 6.2372 6.2372 6.7167 6.7167 6.7753 6.7753 6.7971 6.7971 7.4408 7.4408 7.4687 7.4687 7.9205 7.9205 7.9976 7.9976 8.2387 8.2387 8.6079 8.6079 8.8040 8.8040 10.3614 10.3614 10.9849 10.9849 11.5523 11.5523 12.1016 12.1016 13.4095 13.4095 k = 0.4167 0.2406 0.1701 ( 13085 PWs) bands (ev): -36.7529 -36.7529 -36.7503 -36.7503 1.7215 1.7215 4.1390 4.1390 4.1608 4.1608 4.2641 4.2641 4.4846 4.4846 5.2117 5.2117 5.2961 5.2961 5.3406 5.3406 5.7592 5.7592 6.0087 6.0087 6.2012 6.2012 6.6778 6.6778 6.7404 6.7404 6.7448 6.7448 7.3754 7.3754 7.4060 7.4060 7.9142 7.9142 7.9936 7.9936 8.2134 8.2134 8.6061 8.6061 8.7927 8.7927 10.3613 10.3613 10.9899 10.9899 11.5450 11.5450 12.1022 12.1022 13.4152 13.4152 k = 0.4306 0.2486 0.1758 ( 13091 PWs) bands (ev): -36.7529 -36.7529 -36.7503 -36.7503 1.7484 1.7484 4.1603 4.1603 4.1706 4.1706 4.3019 4.3019 4.5075 4.5075 5.2045 5.2045 5.3309 5.3309 5.3785 5.3785 5.7838 5.7838 5.9856 5.9856 6.1534 6.1534 6.6085 6.6085 6.7124 6.7124 6.7512 6.7512 7.3138 7.3138 7.3411 7.3411 7.9093 7.9093 7.9902 7.9902 8.1929 8.1929 8.6047 8.6047 8.7834 8.7834 10.3612 10.3612 10.9941 10.9941 11.5384 11.5384 12.1022 12.1022 13.4205 13.4205 k = 0.4444 0.2566 0.1814 ( 13085 PWs) bands (ev): -36.7529 -36.7529 -36.7504 -36.7504 1.7709 1.7709 4.1760 4.1760 4.1785 4.1785 4.3415 4.3415 4.5270 4.5270 5.1819 5.1819 5.3727 5.3727 5.4135 5.4135 5.8024 5.8024 5.9737 5.9737 6.1031 6.1031 6.5358 6.5358 6.6919 6.6919 6.7835 6.7835 7.2581 7.2581 7.2749 7.2749 7.9056 7.9056 7.9876 7.9876 8.1769 8.1769 8.6036 8.6036 8.7760 8.7760 10.3612 10.3612 10.9975 10.9975 11.5328 11.5328 12.1019 12.1019 13.4250 13.4250 k = 0.4583 0.2646 0.1871 ( 13097 PWs) bands (ev): -36.7529 -36.7529 -36.7504 -36.7504 1.7886 1.7886 4.1847 4.1847 4.1873 4.1873 4.3793 4.3793 4.5431 4.5431 5.1522 5.1522 5.4156 5.4156 5.4440 5.4440 5.8149 5.8149 5.9624 5.9624 6.0655 6.0655 6.4690 6.4690 6.6786 6.6786 6.8283 6.8283 7.2084 7.2084 7.2104 7.2104 7.9029 7.9029 7.9856 7.9856 8.1648 8.1648 8.6028 8.6028 8.7704 8.7704 10.3611 10.3611 11.0001 11.0001 11.5284 11.5284 12.1014 12.1014 13.4287 13.4287 k = 0.4722 0.2726 0.1928 ( 13091 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8015 1.8015 4.1891 4.1891 4.1949 4.1949 4.4110 4.4110 4.5555 4.5555 5.1230 5.1230 5.4545 5.4545 5.4679 5.4679 5.8222 5.8222 5.9384 5.9384 6.0554 6.0554 6.4127 6.4127 6.6712 6.6712 6.8802 6.8802 7.1428 7.1428 7.1735 7.1735 7.9010 7.9010 7.9842 7.9842 8.1565 8.1565 8.6022 8.6022 8.7664 8.7664 10.3611 10.3611 11.0020 11.0020 11.5252 11.5252 12.1010 12.1010 13.4314 13.4314 k = 0.4861 0.2807 0.1985 ( 13094 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8093 1.8093 4.1917 4.1917 4.1993 4.1993 4.4322 4.4322 4.5638 4.5638 5.1014 5.1014 5.4831 5.4831 5.4834 5.4834 5.8256 5.8256 5.9121 5.9121 6.0623 6.0623 6.3731 6.3731 6.6680 6.6680 6.9345 6.9345 7.0808 7.0808 7.1499 7.1499 7.8999 7.8999 7.9833 7.9833 8.1516 8.1516 8.6019 8.6019 8.7641 8.7641 10.3610 10.3610 11.0031 11.0031 11.5232 11.5232 12.1007 12.1007 13.4330 13.4330 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8119 1.8119 4.1926 4.1926 4.2007 4.2007 4.4397 4.4397 4.5668 4.5668 5.0934 5.0934 5.4887 5.4887 5.4938 5.4938 5.8266 5.8266 5.9011 5.9011 6.0671 6.0671 6.3583 6.3583 6.6672 6.6672 6.9703 6.9703 7.0426 7.0426 7.1417 7.1417 7.8995 7.8995 7.9831 7.9831 8.1499 8.1499 8.6018 8.6018 8.7633 8.7633 10.3610 10.3610 11.0035 11.0035 11.5225 11.5225 12.1005 12.1005 13.4336 13.4336 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8119 1.8119 4.1926 4.1926 4.2007 4.2007 4.4397 4.4397 4.5668 4.5668 5.0934 5.0934 5.4887 5.4887 5.4938 5.4938 5.8266 5.8266 5.9011 5.9011 6.0671 6.0671 6.3583 6.3583 6.6672 6.6672 6.9703 6.9703 7.0426 7.0426 7.1417 7.1417 7.8995 7.8995 7.9831 7.9831 8.1499 8.1499 8.6018 8.6018 8.7633 8.7633 10.3610 10.3610 11.0035 11.0035 11.5225 11.5225 12.1005 12.1005 13.4336 13.4336 k = 0.5048 0.2748 0.2120 ( 13088 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8138 1.8138 4.1932 4.1932 4.2016 4.2016 4.4404 4.4404 4.5679 4.5679 5.0906 5.0906 5.4876 5.4876 5.4952 5.4952 5.8252 5.8252 5.9015 5.9015 6.0660 6.0660 6.3590 6.3590 6.6675 6.6675 6.9707 6.9707 7.0438 7.0438 7.1424 7.1424 7.8991 7.8991 7.9827 7.9827 8.1503 8.1503 8.6006 8.6006 8.7626 8.7626 10.3539 10.3539 10.9952 10.9952 11.5209 11.5209 12.0966 12.0966 13.4456 13.4456 k = 0.5096 0.2609 0.2198 ( 13075 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8195 1.8195 4.1941 4.1941 4.2050 4.2050 4.4425 4.4425 4.5713 4.5713 5.0824 5.0824 5.4850 5.4850 5.4983 5.4983 5.8211 5.8211 5.9029 5.9029 6.0627 6.0627 6.3609 6.3609 6.6683 6.6683 6.9718 6.9718 7.0475 7.0475 7.1442 7.1442 7.8977 7.8977 7.9817 7.9817 8.1514 8.1514 8.5972 8.5972 8.7608 8.7608 10.3329 10.3329 10.9703 10.9703 11.5168 11.5168 12.0858 12.0858 13.4802 13.4802 k = 0.5144 0.2470 0.2277 ( 13073 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8289 1.8289 4.1941 4.1941 4.2121 4.2121 4.4460 4.4460 4.5768 4.5768 5.0688 5.0688 5.4815 5.4815 5.5026 5.5026 5.8144 5.8144 5.9049 5.9049 6.0579 6.0579 6.3634 6.3634 6.6698 6.6698 6.9738 6.9738 7.0533 7.0533 7.1472 7.1472 7.8955 7.8955 7.9801 7.9801 8.1533 8.1533 8.5913 8.5913 8.7580 8.7580 10.2988 10.2988 10.9282 10.9282 11.5115 11.5115 12.0705 12.0705 13.5334 13.5334 k = 0.5192 0.2332 0.2355 ( 13081 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8421 1.8421 4.1932 4.1932 4.2226 4.2226 4.4508 4.4508 4.5847 4.5847 5.0505 5.0505 5.4768 5.4768 5.5080 5.5080 5.8055 5.8055 5.9074 5.9074 6.0523 6.0523 6.3658 6.3658 6.6722 6.6722 6.9769 6.9769 7.0608 7.0608 7.1513 7.1513 7.8921 7.8921 7.9780 7.9780 8.1561 8.1561 8.5829 8.5829 8.7544 8.7544 10.2527 10.2527 10.8692 10.8692 11.5067 11.5067 12.0531 12.0531 13.6008 13.6008 k = 0.5240 0.2193 0.2434 ( 13080 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8590 1.8590 4.1915 4.1915 4.2365 4.2365 4.4570 4.4570 4.5947 4.5947 5.0278 5.0278 5.4711 5.4711 5.5142 5.5142 5.7947 5.7947 5.9101 5.9101 6.0465 6.0465 6.3672 6.3672 6.6755 6.6755 6.9811 6.9811 7.0693 7.0693 7.1565 7.1565 7.8876 7.8876 7.9755 7.9755 8.1597 8.1597 8.5717 8.5717 8.7502 8.7502 10.1960 10.1960 10.7945 10.7945 11.5033 11.5033 12.0357 12.0357 13.6783 13.6783 k = 0.5288 0.2054 0.2512 ( 13073 PWs) bands (ev): -36.7528 -36.7528 -36.7505 -36.7505 1.8796 1.8796 4.1890 4.1890 4.2533 4.2533 4.4647 4.4647 4.6070 4.6070 5.0013 5.0013 5.4643 5.4643 5.5209 5.5209 5.7822 5.7822 5.9129 5.9129 6.0410 6.0410 6.3673 6.3673 6.6798 6.6798 6.9864 6.9864 7.0783 7.0783 7.1627 7.1627 7.8819 7.8819 7.9727 7.9727 8.1643 8.1643 8.5578 8.5578 8.7458 8.7458 10.1302 10.1302 10.7067 10.7067 11.5017 11.5017 12.0193 12.0193 13.7633 13.7633 k = 0.5337 0.1915 0.2591 ( 13079 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9037 1.9037 4.1855 4.1855 4.2730 4.2730 4.4737 4.4737 4.6215 4.6215 4.9716 4.9716 5.4565 5.4565 5.5279 5.5279 5.7685 5.7685 5.9157 5.9157 6.0363 6.0363 6.3657 6.3657 6.6851 6.6851 6.9929 6.9929 7.0872 7.0872 7.1699 7.1699 7.8748 7.8748 7.9697 7.9697 8.1698 8.1698 8.5410 8.5410 8.7412 8.7412 10.0565 10.0565 10.6089 10.6089 11.5016 11.5016 12.0043 12.0043 13.8543 13.8543 k = 0.5385 0.1776 0.2669 ( 13080 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9313 1.9313 4.1808 4.1808 4.2953 4.2953 4.4842 4.4842 4.6381 4.6381 4.9397 4.9397 5.4476 5.4476 5.5351 5.5351 5.7538 5.7538 5.9184 5.9184 6.0325 6.0325 6.3626 6.3626 6.6910 6.6910 7.0004 7.0004 7.0955 7.0955 7.1780 7.1780 7.8663 7.8663 7.9668 7.9668 8.1761 8.1761 8.5214 8.5214 8.7367 8.7367 9.9763 9.9763 10.5044 10.5044 11.5026 11.5026 11.9908 11.9908 13.9507 13.9507 k = 0.5433 0.1638 0.2748 ( 13069 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9624 1.9624 4.1745 4.1745 4.3199 4.3199 4.4963 4.4963 4.6564 4.6564 4.9065 4.9065 5.4379 5.4379 5.5420 5.5420 5.7384 5.7384 5.9208 5.9208 6.0298 6.0298 6.3580 6.3580 6.6975 6.6975 7.0085 7.0085 7.1029 7.1029 7.1869 7.1869 7.8565 7.8565 7.9638 7.9638 8.1832 8.1832 8.4990 8.4990 8.7323 8.7323 9.8908 9.8908 10.3964 10.3964 11.5041 11.5041 11.9784 11.9784 14.0521 14.0521 k = 0.5481 0.1499 0.2826 ( 13065 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 1.9968 1.9968 4.1664 4.1664 4.3464 4.3464 4.5102 4.5102 4.6759 4.6759 4.8734 4.8734 5.4273 5.4273 5.5485 5.5485 5.7226 5.7226 5.9229 5.9229 6.0279 6.0279 6.3525 6.3525 6.7041 6.7041 7.0168 7.0168 7.1093 7.1093 7.1963 7.1963 7.8454 7.8454 7.9609 7.9609 8.1908 8.1908 8.4742 8.4742 8.7277 8.7277 9.8012 9.8012 10.2875 10.2875 11.5058 11.5058 11.9670 11.9670 14.1583 14.1583 k = 0.5529 0.1360 0.2905 ( 13073 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0343 2.0343 4.1559 4.1559 4.3742 4.3742 4.5263 4.5263 4.6949 4.6949 4.8429 4.8429 5.4161 5.4161 5.5543 5.5543 5.7065 5.7065 5.9247 5.9247 6.0268 6.0268 6.3464 6.3464 6.7109 6.7109 7.0246 7.0246 7.1148 7.1148 7.2057 7.2057 7.8334 7.8334 7.9579 7.9579 8.1984 8.1984 8.4472 8.4472 8.7228 8.7228 9.7087 9.7087 10.1804 10.1804 11.5074 11.5074 11.9563 11.9563 14.2691 14.2691 k = 0.5577 0.1221 0.2983 ( 13071 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0748 2.0748 4.1425 4.1425 4.4023 4.4023 4.5453 4.5453 4.7090 4.7090 4.8205 4.8205 5.4043 5.4043 5.5592 5.5592 5.6902 5.6902 5.9262 5.9262 6.0260 6.0260 6.3404 6.3404 6.7177 6.7177 7.0312 7.0312 7.1198 7.1198 7.2147 7.2147 7.8206 7.8206 7.9549 7.9549 8.2055 8.2055 8.4185 8.4185 8.7173 8.7173 9.6147 9.6147 10.0773 10.0773 11.5087 11.5087 11.9462 11.9462 14.3842 14.3842 k = 0.5625 0.1083 0.3062 ( 13060 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1182 2.1182 4.1258 4.1258 4.4296 4.4296 4.5680 4.5680 4.7098 4.7098 4.8156 4.8156 5.3921 5.3921 5.5630 5.5630 5.6740 5.6740 5.9275 5.9275 6.0252 6.0252 6.3349 6.3349 6.7246 6.7246 7.0357 7.0357 7.1248 7.1248 7.2226 7.2226 7.8074 7.8074 7.9516 7.9516 8.2112 8.2112 8.3885 8.3885 8.7107 8.7107 9.5204 9.5204 9.9801 9.9801 11.5095 11.5095 11.9364 11.9364 14.5032 14.5032 k = 0.5673 0.0944 0.3140 ( 13057 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1641 2.1641 4.1052 4.1052 4.4546 4.4546 4.5953 4.5953 4.6957 4.6957 4.8309 4.8309 5.3796 5.3796 5.5653 5.5653 5.6580 5.6580 5.9284 5.9284 6.0239 6.0239 6.3305 6.3305 6.7315 6.7315 7.0373 7.0373 7.1299 7.1299 7.2289 7.2289 7.7943 7.7943 7.9479 7.9479 8.2142 8.2142 8.3582 8.3582 8.7026 8.7026 9.4274 9.4274 9.8909 9.8909 11.5099 11.5099 11.9270 11.9270 14.6253 14.6253 k = 0.5721 0.0805 0.3219 ( 13055 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.2124 2.2124 4.0801 4.0801 4.4762 4.4762 4.6277 4.6277 4.6762 4.6762 4.8580 4.8580 5.3670 5.3670 5.5659 5.5659 5.6424 5.6424 5.9290 5.9290 6.0216 6.0216 6.3279 6.3279 6.7388 6.7388 7.0357 7.0357 7.1352 7.1352 7.2330 7.2330 7.7814 7.7814 7.9437 7.9437 8.2123 8.2123 8.3292 8.3292 8.6928 8.6928 9.3370 9.3370 9.8112 9.8112 11.5099 11.5099 11.9177 11.9177 14.7490 14.7490 k = 0.5769 0.0666 0.3297 ( 13051 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.2628 2.2628 4.0504 4.0504 4.4937 4.4937 4.6553 4.6553 4.6681 4.6681 4.8911 4.8911 5.3545 5.3545 5.5643 5.5643 5.6277 5.6277 5.9293 5.9293 6.0179 6.0179 6.3276 6.3276 6.7464 6.7464 7.0305 7.0305 7.1401 7.1401 7.2346 7.2346 7.7692 7.7692 7.9388 7.9388 8.2027 8.2027 8.3039 8.3039 8.6811 8.6811 9.2507 9.2507 9.7428 9.7428 11.5094 11.5094 11.9086 11.9086 14.8669 14.8669 k = 0.5817 0.0527 0.3376 ( 13057 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.3148 2.3148 4.0159 4.0159 4.5069 4.5069 4.6430 4.6430 4.7089 4.7089 4.9279 4.9279 5.3422 5.3422 5.5600 5.5600 5.6142 5.6142 5.9291 5.9291 6.0124 6.0124 6.3299 6.3299 6.7546 6.7546 7.0219 7.0219 7.1439 7.1439 7.2331 7.2331 7.7580 7.7580 7.9329 7.9329 8.1833 8.1833 8.2841 8.2841 8.6680 8.6680 9.1694 9.1694 9.6869 9.6869 11.5085 11.5085 11.8995 11.8995 14.9141 14.9141 k = 0.5865 0.0389 0.3454 ( 13051 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.3680 2.3680 3.9768 3.9768 4.5160 4.5160 4.6349 4.6349 4.7549 4.7549 4.9671 4.9671 5.3304 5.3304 5.5528 5.5528 5.6026 5.6026 5.9281 5.9281 6.0054 6.0054 6.3351 6.3351 6.7635 6.7635 7.0099 7.0099 7.1459 7.1459 7.2284 7.2284 7.7477 7.7477 7.9254 7.9254 8.1557 8.1557 8.2683 8.2683 8.6545 8.6545 9.0939 9.0939 9.6445 9.6445 11.5073 11.5073 11.8905 11.8905 14.8470 14.8470 k = 0.5913 0.0250 0.3533 ( 13061 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.4220 2.4220 3.9338 3.9338 4.5217 4.5217 4.6327 4.6327 4.8038 4.8038 5.0078 5.0078 5.3194 5.3194 5.5429 5.5429 5.5926 5.5926 5.9257 5.9257 5.9975 5.9975 6.3429 6.3429 6.7730 6.7730 6.9948 6.9948 7.1453 7.1453 7.2203 7.2203 7.7384 7.7384 7.9155 7.9155 8.1241 8.1241 8.2535 8.2535 8.6417 8.6417 9.0245 9.0245 9.6158 9.6158 11.5059 11.5059 11.8815 11.8815 14.7558 14.7558 k = 0.5962 0.0111 0.3611 ( 13057 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.4760 2.4760 3.8876 3.8876 4.5255 4.5255 4.6352 4.6352 4.8546 4.8546 5.0488 5.0488 5.3102 5.3102 5.5311 5.5311 5.5836 5.5836 5.9212 5.9212 5.9897 5.9897 6.3529 6.3529 6.7829 6.7829 6.9768 6.9768 7.1417 7.1417 7.2088 7.2088 7.7299 7.7299 7.9023 7.9023 8.0929 8.0929 8.2374 8.2374 8.6310 8.6310 8.9615 8.9615 9.6004 9.6004 11.5042 11.5042 11.8726 11.8726 14.6581 14.6581 k = 0.6010-0.0028 0.3690 ( 13061 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.5292 2.5292 3.8392 3.8392 4.5288 4.5288 4.6410 4.6410 4.9061 4.9061 5.0882 5.0882 5.3042 5.3042 5.5187 5.5187 5.5748 5.5748 5.9141 5.9141 5.9834 5.9834 6.3642 6.3642 6.7927 6.7927 6.9567 6.9567 7.1350 7.1350 7.1936 7.1936 7.7221 7.7221 7.8844 7.8844 8.0658 8.0658 8.2197 8.2197 8.6231 8.6231 8.9052 8.9052 9.5973 9.5973 11.5024 11.5024 11.8637 11.8637 14.5578 14.5578 k = 0.6058-0.0167 0.3768 ( 13061 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.5808 2.5808 3.7896 3.7896 4.5327 4.5327 4.6491 4.6491 4.9571 4.9571 5.1228 5.1228 5.3047 5.3047 5.5066 5.5066 5.5658 5.5658 5.9044 5.9044 5.9792 5.9792 6.3757 6.3757 6.8011 6.8011 6.9363 6.9363 7.1251 7.1251 7.1745 7.1745 7.7148 7.7148 7.8612 7.8612 8.0449 8.0449 8.2012 8.2012 8.6182 8.6182 8.8559 8.8559 9.6050 9.6050 11.5006 11.5006 11.8548 11.8548 14.4564 14.4564 k = 0.6106-0.0305 0.3847 ( 13062 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.6295 2.6295 3.7403 3.7403 4.5378 4.5378 4.6586 4.6586 5.0050 5.0050 5.1485 5.1485 5.3156 5.3156 5.4958 5.4958 5.5566 5.5566 5.8933 5.8933 5.9773 5.9773 6.3858 6.3858 6.8056 6.8056 6.9190 6.9190 7.1125 7.1125 7.1517 7.1517 7.7082 7.7082 7.8333 7.8333 8.0310 8.0310 8.1834 8.1834 8.6157 8.6157 8.8138 8.8138 9.6223 9.6223 11.4989 11.4989 11.8460 11.8460 14.3549 14.3549 k = 0.6154-0.0444 0.3925 ( 13063 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6738 2.6738 3.6926 3.6926 4.5443 4.5443 4.6694 4.6694 5.0456 5.0456 5.1648 5.1648 5.3385 5.3385 5.4874 5.4874 5.5480 5.5480 5.8825 5.8825 5.9772 5.9772 6.3922 6.3922 6.8032 6.8032 6.9095 6.9095 7.0976 7.0976 7.1256 7.1256 7.7019 7.7019 7.8028 7.8028 8.0232 8.0232 8.1680 8.1680 8.6147 8.6147 8.7796 8.7796 9.6477 9.6477 11.4972 11.4972 11.8372 11.8372 14.2537 14.2537 k = 0.6202-0.0583 0.4004 ( 13072 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.7120 2.7120 3.6483 3.6483 4.5519 4.5519 4.6815 4.6815 5.0715 5.0715 5.1792 5.1792 5.3675 5.3675 5.4831 5.4831 5.5421 5.5421 5.8738 5.8738 5.9786 5.9786 6.3924 6.3924 6.7942 6.7942 6.9092 6.9092 7.0806 7.0806 7.0979 7.0979 7.6950 7.6950 7.7728 7.7728 8.0198 8.0198 8.1560 8.1560 8.6136 8.6136 8.7538 8.7538 9.6800 9.6800 11.4958 11.4958 11.8284 11.8284 14.1530 14.1530 k = 0.6250-0.0722 0.4082 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6092 3.6092 4.5601 4.5601 4.6955 4.6955 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5437 5.5437 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9133 6.9133 7.0598 7.0598 7.0735 7.0735 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1485 8.1485 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8197 11.8197 14.0530 14.0530 k = 0.6250-0.0722 0.4082 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6092 3.6092 4.5601 4.5601 4.6955 4.6955 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5437 5.5437 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9133 6.9133 7.0598 7.0598 7.0735 7.0735 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1485 8.1485 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8197 11.8197 14.0530 14.0530 k = 0.6167-0.0674 0.4219 ( 13068 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7441 2.7441 3.6071 3.6071 4.5603 4.5603 4.6950 4.6950 5.0751 5.0751 5.2011 5.2011 5.3916 5.3916 5.4873 5.4873 5.5440 5.5440 5.8691 5.8691 5.9829 5.9829 6.3820 6.3820 6.7808 6.7808 6.9113 6.9113 7.0514 7.0514 7.0841 7.0841 7.6800 7.6800 7.7519 7.7519 8.0204 8.0204 8.1495 8.1495 8.6114 8.6114 8.7390 8.7390 9.7188 9.7188 11.4355 11.4355 11.8802 11.8802 14.0519 14.0519 k = 0.6083-0.0625 0.4355 ( 13062 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7508 2.7508 3.6009 3.6009 4.5611 4.5611 4.6932 4.6932 5.0686 5.0686 5.2085 5.2085 5.3937 5.3937 5.4896 5.4896 5.5452 5.5452 5.8698 5.8698 5.9875 5.9875 6.3769 6.3769 6.7705 6.7705 6.9054 6.9054 7.0421 7.0421 7.1003 7.1003 7.6701 7.6701 7.7594 7.7594 8.0233 8.0233 8.1524 8.1524 8.6129 8.6129 8.7443 8.7443 9.7208 9.7208 11.3161 11.3161 12.0037 12.0037 14.0486 14.0486 k = 0.6000-0.0577 0.4491 ( 13067 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7618 2.7618 3.5905 3.5905 4.5622 4.5622 4.6904 4.6904 5.0598 5.0598 5.2189 5.2189 5.3967 5.3967 5.4931 5.4931 5.5475 5.5475 5.8717 5.8717 5.9947 5.9947 6.3685 6.3685 6.7536 6.7536 6.8958 6.8958 7.0368 7.0368 7.1170 7.1170 7.6567 7.6567 7.7687 7.7687 8.0281 8.0281 8.1568 8.1568 8.6156 8.6156 8.7529 8.7529 9.7243 9.7243 11.1818 11.1818 12.1450 12.1450 14.0430 14.0430 k = 0.5917-0.0529 0.4627 ( 13069 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7773 2.7773 3.5762 3.5762 4.5638 4.5638 4.6865 4.6865 5.0504 5.0504 5.2308 5.2308 5.4002 5.4002 5.4969 5.4969 5.5517 5.5517 5.8755 5.8755 6.0039 6.0039 6.3569 6.3569 6.7305 6.7305 6.8836 6.8836 7.0354 7.0354 7.1332 7.1332 7.6416 7.6416 7.7781 7.7781 8.0346 8.0346 8.1620 8.1620 8.6201 8.6201 8.7644 8.7644 9.7290 9.7290 11.0443 11.0443 12.2924 12.2924 14.0348 14.0348 k = 0.5833-0.0481 0.4763 ( 13076 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7970 2.7970 3.5579 3.5579 4.5655 4.5655 4.6816 4.6816 5.0416 5.0416 5.2433 5.2433 5.4035 5.4035 5.5000 5.5000 5.5587 5.5587 5.8820 5.8820 6.0144 6.0144 6.3422 6.3422 6.7015 6.7015 6.8707 6.8707 7.0368 7.0368 7.1488 7.1488 7.6255 7.6255 7.7871 7.7871 8.0427 8.0427 8.1675 8.1675 8.6268 8.6268 8.7783 8.7783 9.7350 9.7350 10.9078 10.9078 12.4420 12.4420 14.0238 14.0238 k = 0.5750-0.0433 0.4899 ( 13073 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8209 2.8209 3.5357 3.5357 4.5673 4.5673 4.6758 4.6758 5.0343 5.0343 5.2562 5.2562 5.4058 5.4058 5.5011 5.5011 5.5694 5.5694 5.8918 5.8918 6.0257 6.0257 6.3246 6.3246 6.6674 6.6674 6.8584 6.8584 7.0399 7.0399 7.1636 7.1636 7.6092 7.6092 7.7951 7.7951 8.0521 8.0521 8.1725 8.1725 8.6359 8.6359 8.7939 8.7939 9.7422 9.7422 10.7742 10.7742 12.5921 12.5921 14.0096 14.0096 k = 0.5667-0.0385 0.5035 ( 13063 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8488 2.8488 3.5098 3.5098 4.5690 4.5690 4.6694 4.6694 5.0289 5.0289 5.2692 5.2692 5.4069 5.4069 5.4995 5.4995 5.5841 5.5841 5.9052 5.9052 6.0375 6.0375 6.3046 6.3046 6.6289 6.6289 6.8477 6.8477 7.0435 7.0435 7.1775 7.1775 7.5930 7.5930 7.8021 7.8021 8.0623 8.0623 8.1765 8.1765 8.6477 8.6477 8.8106 8.8106 9.7503 9.7503 10.6453 10.6453 12.7414 12.7414 13.9919 13.9919 k = 0.5583-0.0337 0.5171 ( 13062 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.8805 2.8805 3.4804 3.4804 4.5705 4.5705 4.6626 4.6626 5.0257 5.0257 5.2825 5.2825 5.4065 5.4065 5.4949 5.4949 5.6021 5.6021 5.9221 5.9221 6.0493 6.0493 6.2828 6.2828 6.5870 6.5870 6.8390 6.8390 7.0470 7.0470 7.1905 7.1905 7.5774 7.5774 7.8082 7.8082 8.0730 8.0730 8.1792 8.1792 8.6625 8.6625 8.8274 8.8274 9.7593 9.7593 10.5227 10.5227 12.8886 12.8886 13.9703 13.9703 k = 0.5500-0.0289 0.5307 ( 13072 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9159 2.9159 3.4476 3.4476 4.5715 4.5715 4.6559 4.6559 5.0246 5.0246 5.2963 5.2963 5.4050 5.4050 5.4876 5.4876 5.6225 5.6225 5.9421 5.9421 6.0610 6.0610 6.2601 6.2601 6.5427 6.5427 6.8326 6.8326 7.0499 7.0499 7.2025 7.2025 7.5628 7.5628 7.8133 7.8133 8.0837 8.0837 8.1802 8.1802 8.6800 8.6800 8.8431 8.8431 9.7686 9.7686 10.4083 10.4083 13.0324 13.0324 13.9445 13.9445 k = 0.5417-0.0241 0.5443 ( 13083 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9547 2.9547 3.4115 3.4115 4.5720 4.5720 4.6494 4.6494 5.0254 5.0254 5.3108 5.3108 5.4026 5.4026 5.4778 5.4778 5.6440 5.6440 5.9641 5.9641 6.0722 6.0722 6.2377 6.2377 6.4972 6.4972 6.8283 6.8283 7.0518 7.0518 7.2134 7.2134 7.5497 7.5497 7.8175 7.8175 8.0943 8.0943 8.1796 8.1796 8.6999 8.6999 8.8563 8.8563 9.7777 9.7777 10.3048 10.3048 13.1709 13.1709 13.9142 13.9142 k = 0.5333-0.0192 0.5579 ( 13098 PWs) bands (ev): -36.7518 -36.7518 -36.7515 -36.7515 2.9966 2.9966 3.3724 3.3724 4.5719 4.5719 4.6437 4.6437 5.0278 5.0278 5.3259 5.3259 5.3999 5.3999 5.4656 5.4656 5.6653 5.6653 5.9868 5.9868 6.0826 6.0826 6.2179 6.2179 6.4515 6.4515 6.8261 6.8261 7.0527 7.0527 7.2229 7.2229 7.5383 7.5383 7.8210 7.8210 8.1043 8.1043 8.1776 8.1776 8.7219 8.7219 8.8656 8.8656 9.7855 9.7855 10.2153 10.2153 13.3018 13.3018 13.8792 13.8792 k = 0.5250-0.0144 0.5715 ( 13100 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0411 3.0411 3.3305 3.3305 4.5713 4.5713 4.6390 4.6390 5.0310 5.0310 5.3417 5.3417 5.3975 5.3975 5.4513 5.4513 5.6847 5.6847 6.0082 6.0082 6.0911 6.0911 6.2034 6.2034 6.4072 6.4072 6.8255 6.8255 7.0525 7.0525 7.2309 7.2309 7.5292 7.5292 7.8237 7.8237 8.1136 8.1136 8.1742 8.1742 8.7452 8.7452 8.8691 8.8691 9.7907 9.7907 10.1434 10.1434 13.4221 13.4221 13.8399 13.8399 k = 0.5167-0.0096 0.5852 ( 13106 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0879 3.0879 3.2861 3.2861 4.5704 4.5704 4.6354 4.6354 5.0344 5.0344 5.3580 5.3580 5.3958 5.3958 5.4353 5.4353 5.7005 5.7005 6.0262 6.0262 6.0956 6.0956 6.1979 6.1979 6.3671 6.3671 6.8262 6.8262 7.0515 7.0515 7.2369 7.2369 7.5226 7.5226 7.8256 7.8256 8.1217 8.1217 8.1701 8.1701 8.7689 8.7689 8.8658 8.8658 9.7922 9.7922 10.0925 10.0925 13.5275 13.5275 13.7968 13.7968 k = 0.5083-0.0048 0.5988 ( 13108 PWs) bands (ev): -36.7517 -36.7517 -36.7516 -36.7516 3.1358 3.1358 3.2399 3.2399 4.5696 4.5696 4.6332 4.6332 5.0371 5.0371 5.3746 5.3746 5.3951 5.3951 5.4184 5.4184 5.7111 5.7111 6.0389 6.0389 6.0953 6.0953 6.2010 6.2010 6.3361 6.3361 6.8272 6.8272 7.0502 7.0502 7.2407 7.2407 7.5187 7.5187 7.8268 7.8268 8.1281 8.1281 8.1661 8.1661 8.7912 8.7912 8.8560 8.8560 9.7906 9.7906 10.0640 10.0640 13.6115 13.6115 13.7527 13.7527 k = 0.5000-0.0000 0.6124 ( 13116 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1734 3.1734 3.2030 3.2030 4.5693 4.5693 4.6324 4.6324 5.0381 5.0381 5.3892 5.3892 5.3906 5.3906 5.4079 5.4079 5.7148 5.7148 6.0439 6.0439 6.0940 6.0940 6.2043 6.2043 6.3237 6.3237 6.8278 6.8278 7.0496 7.0496 7.2420 7.2420 7.5174 7.5174 7.8273 7.8273 8.1307 8.1307 8.1641 8.1641 8.8035 8.8035 8.8477 8.8477 9.7891 9.7891 10.0555 10.0555 13.6523 13.6523 13.7258 13.7258 k = 0.5000-0.0000 0.6124 ( 13116 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.1734 3.1734 3.2030 3.2030 4.5693 4.5693 4.6324 4.6324 5.0381 5.0381 5.3892 5.3892 5.3906 5.3906 5.4079 5.4079 5.7148 5.7148 6.0439 6.0439 6.0940 6.0940 6.2043 6.2043 6.3237 6.3237 6.8278 6.8278 7.0496 7.0496 7.2420 7.2420 7.5174 7.5174 7.8273 7.8273 8.1307 8.1307 8.1641 8.1641 8.8035 8.8035 8.8477 8.8477 9.7891 9.7891 10.0555 10.0555 13.6523 13.6523 13.7258 13.7258 k = 0.5000 0.0096 0.5988 ( 13110 PWs) bands (ev): -36.7517 -36.7517 -36.7516 -36.7516 3.1150 3.1150 3.2613 3.2613 4.5689 4.5689 4.6322 4.6322 5.0358 5.0358 5.3673 5.3673 5.3983 5.3983 5.4212 5.4212 5.7075 5.7075 6.0381 6.0381 6.0934 6.0934 6.1976 6.1976 6.3475 6.3475 6.8264 6.8264 7.0513 7.0513 7.2419 7.2419 7.5197 7.5197 7.8283 7.8283 8.1260 8.1260 8.1688 8.1688 8.7839 8.7839 8.8676 8.8676 9.7850 9.7850 10.0641 10.0641 13.6022 13.6022 13.7746 13.7746 k = 0.5000 0.0192 0.5852 ( 13116 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0442 3.0442 3.3319 3.3319 4.5678 4.5678 4.6317 4.6317 5.0288 5.0288 5.3429 5.3429 5.3989 5.3989 5.4417 5.4417 5.6875 5.6875 6.0243 6.0243 6.0923 6.0923 6.1879 6.1879 6.4032 6.4032 6.8223 6.8223 7.0563 7.0563 7.2415 7.2415 7.5267 7.5267 7.8313 7.8313 8.1159 8.1159 8.1789 8.1789 8.7527 8.7527 8.9000 8.9000 9.7747 9.7747 10.0881 10.0881 13.5266 13.5266 13.8461 13.8461 k = 0.5000 0.0289 0.5715 ( 13106 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9733 2.9733 3.4025 3.4025 4.5661 4.5661 4.6307 4.6307 5.0169 5.0169 5.3194 5.3194 5.3971 5.3971 5.4580 5.4580 5.6610 5.6610 6.0091 6.0091 6.0911 6.0911 6.1823 6.1823 6.4730 6.4730 6.8161 6.8161 7.0639 7.0639 7.2409 7.2409 7.5383 7.5383 7.8364 7.8364 8.1039 8.1039 8.1908 8.1908 8.7216 8.7216 8.9329 8.9329 9.7622 9.7622 10.1239 10.1239 13.4478 13.4478 13.9178 13.9178 k = 0.5000 0.0385 0.5579 ( 13094 PWs) bands (ev): -36.7519 -36.7519 -36.7514 -36.7514 2.9028 2.9028 3.4724 3.4724 4.5639 4.5639 4.6293 4.6293 5.0001 5.0001 5.2974 5.2974 5.3902 5.3902 5.4675 5.4675 5.6377 5.6377 5.9961 5.9961 6.0898 6.0898 6.1805 6.1805 6.5482 6.5482 6.8089 6.8089 7.0733 7.0733 7.2402 7.2402 7.5545 7.5545 7.8438 7.8438 8.0914 8.0914 8.2034 8.2034 8.6926 8.6926 8.9643 8.9643 9.7511 9.7511 10.1682 10.1682 13.3680 13.3680 13.9871 13.9871 k = 0.5000 0.0481 0.5443 ( 13094 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8331 2.8331 3.5412 3.5412 4.5614 4.5614 4.6274 4.6274 4.9784 4.9784 5.2756 5.2756 5.3744 5.3744 5.4711 5.4711 5.6257 5.6257 5.9860 5.9860 6.0880 6.0880 6.1816 6.1816 6.6232 6.6232 6.8019 6.8019 7.0837 7.0837 7.2398 7.2398 7.5749 7.5749 7.8534 7.8534 8.0790 8.0790 8.2163 8.2163 8.6669 8.6669 8.9931 8.9931 9.7443 9.7443 10.2187 10.2187 13.2876 13.2876 14.0524 14.0524 k = 0.5000 0.0577 0.5307 ( 13078 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.7643 2.7643 3.6085 3.6085 4.5587 4.5587 4.6250 4.6250 4.9522 4.9522 5.2503 5.2503 5.3510 5.3510 5.4741 5.4741 5.6255 5.6255 5.9781 5.9781 6.0856 6.0856 6.1854 6.1854 6.6920 6.6920 6.7980 6.7980 7.0943 7.0943 7.2401 7.2401 7.5988 7.5988 7.8658 7.8658 8.0675 8.0675 8.2291 8.2291 8.6452 8.6452 9.0188 9.0188 9.7436 9.7436 10.2742 10.2742 13.2071 13.2071 14.1127 14.1127 k = 0.5000 0.0674 0.5171 ( 13070 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6966 2.6966 3.6741 3.6741 4.5558 4.5558 4.6226 4.6226 4.9222 4.9222 5.2160 5.2160 5.3295 5.3295 5.4795 5.4795 5.6318 5.6318 5.9715 5.9715 6.0824 6.0824 6.1916 6.1916 6.7411 6.7411 6.8086 6.8086 7.1040 7.1040 7.2418 7.2418 7.6250 7.6250 7.8811 7.8811 8.0579 8.0579 8.2416 8.2416 8.6284 8.6284 9.0414 9.0414 9.7502 9.7502 10.3336 10.3336 13.1267 13.1267 14.1666 14.1666 k = 0.5000 0.0770 0.5035 ( 13066 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.6302 2.6302 3.7373 3.7373 4.5525 4.5525 4.6206 4.6206 4.8891 4.8891 5.1712 5.1712 5.3168 5.3168 5.4871 5.4871 5.6404 5.6404 5.9658 5.9658 6.0785 6.0785 6.2002 6.2002 6.7536 6.7536 6.8485 6.8485 7.1118 7.1118 7.2456 7.2456 7.6517 7.6517 7.8993 7.8993 8.0520 8.0520 8.2533 8.2533 8.6172 8.6172 9.0614 9.0614 9.7648 9.7648 10.3964 10.3964 13.0464 13.0464 14.2126 14.2126 k = 0.5000 0.0866 0.4899 ( 13074 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.5653 2.5653 3.7978 3.7978 4.5482 4.5482 4.6199 4.6199 4.8535 4.8535 5.1202 5.1202 5.3124 5.3124 5.4963 5.4963 5.6491 5.6491 5.9606 5.9606 6.0740 6.0740 6.2107 6.2107 6.7511 6.7511 6.8954 6.8954 7.1166 7.1166 7.2518 7.2518 7.6768 7.6768 7.9185 7.9185 8.0531 8.0531 8.2637 8.2637 8.6121 8.6121 9.0802 9.0802 9.7872 9.7872 10.4620 10.4620 12.9665 12.9665 14.2497 14.2497 k = 0.5000 0.0962 0.4763 ( 13058 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.5020 2.5020 3.8549 3.8549 4.5424 4.5424 4.6213 4.6213 4.8165 4.8165 5.0674 5.0674 5.3137 5.3137 5.5062 5.5062 5.6567 5.6567 5.9557 5.9557 6.0690 6.0690 6.2230 6.2230 6.7458 6.7458 6.9369 6.9369 7.1180 7.1180 7.2598 7.2598 7.6990 7.6990 7.9347 7.9347 8.0654 8.0654 8.2725 8.2725 8.6135 8.6135 9.0999 9.0999 9.8170 9.8170 10.5303 10.5303 12.8870 12.8870 14.2767 14.2767 k = 0.5000 0.1058 0.4627 ( 13064 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.4406 2.4406 3.9081 3.9081 4.5344 4.5344 4.6257 4.6257 4.7789 4.7789 5.0156 5.0156 5.3189 5.3189 5.5163 5.5163 5.6631 5.6631 5.9511 5.9511 6.0636 6.0636 6.2364 6.2364 6.7402 6.7402 6.9713 6.9713 7.1162 7.1162 7.2680 7.2680 7.7178 7.7178 7.9447 7.9447 8.0906 8.0906 8.2796 8.2796 8.6210 8.6210 9.1231 9.1231 9.8535 9.8535 10.6008 10.6008 12.8083 12.8083 14.2933 14.2933 k = 0.5000 0.1155 0.4491 ( 13070 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.3813 2.3813 3.9568 3.9568 4.5239 4.5239 4.6331 4.6331 4.7424 4.7424 4.9662 4.9662 5.3269 5.3269 5.5261 5.5261 5.6683 5.6683 5.9469 5.9469 6.0581 6.0581 6.2506 6.2506 6.7347 6.7347 6.9991 6.9991 7.1117 7.1117 7.2743 7.2743 7.7341 7.7341 7.9492 7.9492 8.1247 8.1247 8.2858 8.2858 8.6337 8.6337 9.1530 9.1530 9.8959 9.8959 10.6731 10.6731 12.7303 12.7303 14.2992 14.2992 k = 0.5000 0.1251 0.4355 ( 13064 PWs) bands (ev): -36.7524 -36.7524 -36.7509 -36.7509 2.3241 2.3241 4.0005 4.0005 4.5105 4.5105 4.6408 4.6408 4.7108 4.7108 4.9200 4.9200 5.3370 5.3370 5.5351 5.5351 5.6729 5.6729 5.9430 5.9430 6.0526 6.0526 6.2650 6.2650 6.7297 6.7297 7.0213 7.0213 7.1055 7.1055 7.2773 7.2773 7.7488 7.7488 7.9509 7.9509 8.1601 8.1601 8.2932 8.2932 8.6496 8.6496 9.1926 9.1926 9.9436 9.9436 10.7471 10.7471 12.6534 12.6534 14.2949 14.2949 k = 0.5000 0.1347 0.4219 ( 13066 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.2692 2.2692 4.0389 4.0389 4.4943 4.4943 4.6376 4.6376 4.6964 4.6964 4.8773 4.8773 5.3486 5.3486 5.5429 5.5429 5.6773 5.6773 5.9395 5.9395 6.0474 6.0474 6.2794 6.2794 6.7251 6.7251 7.0384 7.0384 7.0984 7.0984 7.2761 7.2761 7.7628 7.7628 7.9517 7.9517 8.1892 8.1892 8.3056 8.3056 8.6664 8.6664 9.2443 9.2443 9.9959 9.9959 10.8223 10.8223 12.5779 12.5779 14.2808 14.2808 k = 0.5000 0.1443 0.4082 ( 13082 PWs) bands (ev): -36.7525 -36.7525 -36.7508 -36.7508 2.2168 2.2168 4.0718 4.0718 4.4750 4.4750 4.6160 4.6160 4.7072 4.7072 4.8385 4.8385 5.3612 5.3612 5.5490 5.5490 5.6821 5.6821 5.9364 5.9364 6.0426 6.0426 6.2933 6.2933 6.7209 6.7209 7.0502 7.0502 7.0920 7.0920 7.2706 7.2706 7.7768 7.7768 7.9525 7.9525 8.2062 8.2062 8.3264 8.3264 8.6820 8.6820 9.3092 9.3092 10.0524 10.0524 10.8983 10.8983 12.5040 12.5040 14.2575 14.2575 k = 0.5000 0.1540 0.3946 ( 13062 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1671 2.1671 4.0994 4.0994 4.4526 4.4526 4.5898 4.5898 4.7286 4.7286 4.8047 4.8047 5.3743 5.3743 5.5529 5.5529 5.6881 5.6881 5.9336 5.9336 6.0384 6.0384 6.3065 6.3065 6.7167 6.7167 7.0545 7.0545 7.0891 7.0891 7.2614 7.2614 7.7910 7.7910 7.9536 7.9536 8.2118 8.2118 8.3545 8.3545 8.6953 8.6953 9.3867 9.3867 10.1129 10.1129 10.9745 10.9745 12.4321 12.4321 14.2259 14.2259 k = 0.5000 0.1636 0.3810 ( 13058 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1202 2.1202 4.1220 4.1220 4.4276 4.4276 4.5655 4.5655 4.7444 4.7444 4.7852 4.7852 5.3876 5.3876 5.5545 5.5545 5.6957 5.6957 5.9310 5.9310 6.0349 6.0349 6.3188 6.3188 6.7127 6.7127 7.0507 7.0507 7.0911 7.0911 7.2493 7.2493 7.8052 7.8052 7.9551 7.9551 8.2103 8.2103 8.3854 8.3854 8.7060 8.7060 9.4747 9.4747 10.1772 10.1772 11.0503 11.0503 12.3629 12.3629 14.1865 14.1865 k = 0.5000 0.1732 0.3674 ( 13062 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0761 2.0761 4.1401 4.1401 4.4007 4.4007 4.5443 4.5443 4.7289 4.7289 4.8032 4.8032 5.4008 5.4008 5.5538 5.5538 5.7050 5.7050 5.9285 5.9285 6.0323 6.0323 6.3301 6.3301 6.7084 6.7084 7.0422 7.0422 7.0948 7.0948 7.2354 7.2354 7.8191 7.8191 7.9569 7.9569 8.2052 8.2052 8.4164 8.4164 8.7144 8.7144 9.5702 9.5702 10.2453 10.2453 11.1248 11.1248 12.2971 12.2971 14.1400 14.1400 k = 0.5000 0.1828 0.3538 ( 13060 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0352 2.0352 4.1544 4.1544 4.3730 4.3730 4.5259 4.5259 4.7041 4.7041 4.8352 4.8352 5.4135 5.4135 5.5511 5.5511 5.7160 5.7160 5.9262 5.9262 6.0308 6.0308 6.3402 6.3402 6.7040 6.7040 7.0321 7.0321 7.0975 7.0975 7.2208 7.2208 7.8324 7.8324 7.9590 7.9590 8.1983 8.1983 8.4460 8.4460 8.7212 8.7212 9.6698 9.6698 10.3174 10.3174 11.1970 11.1970 12.2356 12.2356 14.0870 14.0870 k = 0.5000 0.1925 0.3402 ( 13070 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 1.9973 1.9973 4.1656 4.1656 4.3457 4.3457 4.5101 4.5101 4.6803 4.6803 4.8698 4.8698 5.4256 5.4256 5.5467 5.5467 5.7284 5.7284 5.9238 5.9238 6.0304 6.0304 6.3489 6.3489 6.6993 6.6993 7.0216 7.0216 7.0981 7.0981 7.2064 7.2064 7.8449 7.8449 7.9614 7.9614 8.1908 8.1908 8.4735 8.4735 8.7268 8.7268 9.7702 9.7702 10.3934 10.3934 11.2655 11.2655 12.1798 12.1798 14.0281 14.0281 k = 0.5000 0.2021 0.3266 ( 13060 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9628 1.9628 4.1742 4.1742 4.3195 4.3195 4.4963 4.4963 4.6585 4.6585 4.9048 4.9048 5.4368 5.4368 5.5411 5.5411 5.7417 5.7417 5.9213 5.9213 6.0312 6.0312 6.3561 6.3561 6.6943 6.6943 7.0115 7.0115 7.0963 7.0963 7.1931 7.1931 7.8562 7.8562 7.9640 7.9640 8.1832 8.1832 8.4986 8.4986 8.7318 8.7318 9.8684 9.8684 10.4732 10.4732 11.3284 11.3284 12.1313 12.1313 13.9639 13.9639 k = 0.5000 0.2117 0.3130 ( 13068 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9316 1.9316 4.1806 4.1806 4.2951 4.2951 4.4842 4.4842 4.6391 4.6391 4.9389 4.9389 5.4470 5.4470 5.5347 5.5347 5.7555 5.7555 5.9186 5.9186 6.0333 6.0333 6.3616 6.3616 6.6891 6.6891 7.0022 7.0022 7.0920 7.0920 7.1813 7.1813 7.8661 7.8661 7.9668 7.9668 8.1762 8.1762 8.5211 8.5211 8.7365 8.7365 9.9617 9.9617 10.5560 10.5560 11.3838 11.3838 12.0922 12.0922 13.8951 13.8951 k = 0.5000 0.2213 0.2994 ( 13072 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9039 1.9039 4.1855 4.1855 4.2729 4.2729 4.4737 4.4737 4.6220 4.6220 4.9712 4.9712 5.4561 5.4561 5.5278 5.5278 5.7693 5.7693 5.9158 5.9158 6.0367 6.0367 6.3653 6.3653 6.6841 6.6841 6.9939 6.9939 7.0856 7.0856 7.1715 7.1715 7.8747 7.8747 7.9697 7.9697 8.1698 8.1698 8.5409 8.5409 8.7411 8.7411 10.0481 10.0481 10.6402 10.6402 11.4293 11.4293 12.0648 12.0648 13.8226 13.8226 k = 0.5000 0.2309 0.2858 ( 13072 PWs) bands (ev): -36.7528 -36.7528 -36.7505 -36.7505 1.8797 1.8797 4.1890 4.1890 4.2533 4.2533 4.4647 4.4647 4.6072 4.6072 5.0010 5.0010 5.4642 5.4642 5.5209 5.5209 5.7825 5.7825 5.9130 5.9130 6.0412 6.0412 6.3671 6.3671 6.6794 6.6794 6.9869 6.9869 7.0776 7.0776 7.1633 7.1633 7.8819 7.8819 7.9727 7.9727 8.1643 8.1643 8.5577 8.5577 8.7457 8.7457 10.1259 10.1259 10.7233 10.7233 11.4636 11.4636 12.0503 12.0503 13.7475 13.7475 k = 0.5000 0.2406 0.2722 ( 13080 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8591 1.8591 4.1916 4.1916 4.2364 4.2364 4.4571 4.4571 4.5948 4.5948 5.0276 5.0276 5.4711 5.4711 5.5142 5.5142 5.7948 5.7948 5.9101 5.9101 6.0465 6.0465 6.3672 6.3672 6.6753 6.6753 6.9813 6.9813 7.0691 7.0691 7.1567 7.1567 7.8876 7.8876 7.9754 7.9754 8.1597 8.1597 8.5717 8.5717 8.7502 8.7502 10.1942 10.1942 10.8018 10.8018 11.4868 11.4868 12.0487 12.0487 13.6719 13.6719 k = 0.5000 0.2502 0.2586 ( 13076 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8422 1.8422 4.1932 4.1932 4.2226 4.2226 4.4508 4.4508 4.5847 4.5847 5.0504 5.0504 5.4768 5.4768 5.5080 5.5080 5.8055 5.8055 5.9074 5.9074 6.0523 6.0523 6.3657 6.3657 6.6721 6.6721 6.9769 6.9769 7.0607 7.0607 7.1514 7.1514 7.8921 7.8921 7.9780 7.9780 8.1561 8.1561 8.5828 8.5828 8.7544 8.7544 10.2521 10.2521 10.8716 10.8716 11.5013 11.5013 12.0572 12.0572 13.5989 13.5989 k = 0.5000 0.2598 0.2449 ( 13078 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8289 1.8289 4.1941 4.1941 4.2120 4.2120 4.4460 4.4460 4.5769 4.5769 5.0688 5.0688 5.4814 5.4814 5.5026 5.5026 5.8144 5.8144 5.9049 5.9049 6.0579 6.0579 6.3634 6.3634 6.6698 6.6698 6.9738 6.9738 7.0533 7.0533 7.1472 7.1472 7.8955 7.8955 7.9801 7.9801 8.1533 8.1533 8.5913 8.5913 8.7580 8.7580 10.2986 10.2986 10.9287 10.9287 11.5104 11.5104 12.0713 12.0713 13.5331 13.5331 k = 0.5000 0.2694 0.2313 ( 13076 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8195 1.8195 4.1941 4.1941 4.2050 4.2050 4.4425 4.4425 4.5713 4.5713 5.0823 5.0823 5.4850 5.4850 5.4983 5.4983 5.8210 5.8210 5.9029 5.9029 6.0627 6.0627 6.3609 6.3609 6.6683 6.6683 6.9718 6.9718 7.0475 7.0475 7.1442 7.1442 7.8977 7.8977 7.9817 7.9817 8.1514 8.1514 8.5972 8.5972 8.7608 8.7608 10.3329 10.3329 10.9703 10.9703 11.5167 11.5167 12.0859 12.0859 13.4802 13.4802 k = 0.5000 0.2791 0.2177 ( 13084 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8138 1.8138 4.1932 4.1932 4.2016 4.2016 4.4404 4.4404 4.5679 4.5679 5.0906 5.0906 5.4876 5.4876 5.4952 5.4952 5.8252 5.8252 5.9015 5.9015 6.0660 6.0660 6.3590 6.3590 6.6675 6.6675 6.9707 6.9707 7.0438 7.0438 7.1424 7.1424 7.8991 7.8991 7.9827 7.9827 8.1503 8.1503 8.6006 8.6006 8.7626 8.7626 10.3539 10.3539 10.9952 10.9952 11.5209 11.5209 12.0966 12.0966 13.4456 13.4456 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8119 1.8119 4.1926 4.1926 4.2007 4.2007 4.4397 4.4397 4.5668 4.5668 5.0934 5.0934 5.4887 5.4887 5.4938 5.4938 5.8266 5.8266 5.9011 5.9011 6.0671 6.0671 6.3583 6.3583 6.6672 6.6672 6.9703 6.9703 7.0426 7.0426 7.1417 7.1417 7.8995 7.8995 7.9831 7.9831 8.1499 8.1499 8.6018 8.6018 8.7633 8.7633 10.3610 10.3610 11.0035 11.0035 11.5225 11.5225 12.1005 12.1005 13.4336 13.4336 k = 0.5000 0.2887 0.2041 ( 13070 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8119 1.8119 4.1926 4.1926 4.2007 4.2007 4.4397 4.4397 4.5668 4.5668 5.0934 5.0934 5.4887 5.4887 5.4938 5.4938 5.8266 5.8266 5.9011 5.9011 6.0671 6.0671 6.3583 6.3583 6.6672 6.6672 6.9703 6.9703 7.0426 7.0426 7.1417 7.1417 7.8995 7.8995 7.9831 7.9831 8.1499 8.1499 8.6018 8.6018 8.7633 8.7633 10.3610 10.3610 11.0035 11.0035 11.5225 11.5225 12.1005 12.1005 13.4336 13.4336 k = 0.4952 0.2859 0.2198 ( 13088 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8138 1.8138 4.1932 4.1932 4.2016 4.2016 4.4404 4.4404 4.5679 4.5679 5.0906 5.0906 5.4876 5.4876 5.4952 5.4952 5.8252 5.8252 5.9015 5.9015 6.0660 6.0660 6.3590 6.3590 6.6675 6.6675 6.9707 6.9707 7.0438 7.0438 7.1424 7.1424 7.8991 7.8991 7.9827 7.9827 8.1503 8.1503 8.6006 8.6006 8.7626 8.7626 10.3539 10.3539 10.9952 10.9952 11.5209 11.5209 12.0966 12.0966 13.4456 13.4456 k = 0.4904 0.2831 0.2355 ( 13075 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8195 1.8195 4.1941 4.1941 4.2050 4.2050 4.4425 4.4425 4.5713 4.5713 5.0824 5.0824 5.4850 5.4850 5.4983 5.4983 5.8211 5.8211 5.9029 5.9029 6.0627 6.0627 6.3609 6.3609 6.6683 6.6683 6.9718 6.9718 7.0475 7.0475 7.1442 7.1442 7.8977 7.8977 7.9817 7.9817 8.1514 8.1514 8.5972 8.5972 8.7608 8.7608 10.3329 10.3329 10.9703 10.9703 11.5168 11.5168 12.0858 12.0858 13.4802 13.4802 k = 0.4856 0.2803 0.2512 ( 13073 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8289 1.8289 4.1941 4.1941 4.2120 4.2120 4.4460 4.4460 4.5768 4.5768 5.0688 5.0688 5.4814 5.4814 5.5026 5.5026 5.8144 5.8144 5.9049 5.9049 6.0579 6.0579 6.3634 6.3634 6.6698 6.6698 6.9738 6.9738 7.0533 7.0533 7.1472 7.1472 7.8955 7.8955 7.9801 7.9801 8.1533 8.1533 8.5913 8.5913 8.7580 8.7580 10.2988 10.2988 10.9282 10.9282 11.5115 11.5115 12.0705 12.0705 13.5335 13.5335 k = 0.4808 0.2776 0.2669 ( 13081 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8421 1.8421 4.1933 4.1933 4.2226 4.2226 4.4508 4.4508 4.5847 4.5847 5.0505 5.0505 5.4768 5.4768 5.5080 5.5080 5.8055 5.8055 5.9074 5.9074 6.0523 6.0523 6.3658 6.3658 6.6722 6.6722 6.9769 6.9769 7.0608 7.0608 7.1513 7.1513 7.8921 7.8921 7.9780 7.9780 8.1561 8.1561 8.5829 8.5829 8.7544 8.7544 10.2527 10.2527 10.8692 10.8692 11.5067 11.5067 12.0531 12.0531 13.6008 13.6008 k = 0.4760 0.2748 0.2826 ( 13080 PWs) bands (ev): -36.7528 -36.7528 -36.7504 -36.7504 1.8590 1.8590 4.1916 4.1916 4.2364 4.2364 4.4570 4.4570 4.5947 4.5947 5.0278 5.0278 5.4711 5.4711 5.5142 5.5142 5.7947 5.7947 5.9101 5.9101 6.0465 6.0465 6.3672 6.3672 6.6755 6.6755 6.9811 6.9811 7.0693 7.0693 7.1565 7.1565 7.8876 7.8876 7.9755 7.9755 8.1597 8.1597 8.5717 8.5717 8.7502 8.7502 10.1960 10.1960 10.7945 10.7945 11.5033 11.5033 12.0357 12.0357 13.6783 13.6783 k = 0.4712 0.2720 0.2983 ( 13073 PWs) bands (ev): -36.7528 -36.7528 -36.7505 -36.7505 1.8796 1.8796 4.1891 4.1891 4.2532 4.2532 4.4647 4.4647 4.6070 4.6070 5.0013 5.0013 5.4643 5.4643 5.5209 5.5209 5.7822 5.7822 5.9129 5.9129 6.0410 6.0410 6.3673 6.3673 6.6798 6.6798 6.9864 6.9864 7.0783 7.0783 7.1627 7.1627 7.8819 7.8819 7.9727 7.9727 8.1643 8.1643 8.5578 8.5578 8.7458 8.7458 10.1302 10.1302 10.7067 10.7067 11.5017 11.5017 12.0193 12.0193 13.7633 13.7633 k = 0.4663 0.2692 0.3140 ( 13079 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9037 1.9037 4.1856 4.1856 4.2729 4.2729 4.4737 4.4737 4.6215 4.6215 4.9716 4.9716 5.4565 5.4565 5.5280 5.5280 5.7685 5.7685 5.9157 5.9157 6.0363 6.0363 6.3658 6.3658 6.6851 6.6851 6.9929 6.9929 7.0872 7.0872 7.1699 7.1699 7.8748 7.8748 7.9698 7.9698 8.1698 8.1698 8.5410 8.5410 8.7413 8.7413 10.0565 10.0565 10.6089 10.6089 11.5016 11.5016 12.0043 12.0043 13.8543 13.8543 k = 0.4615 0.2665 0.3297 ( 13080 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9313 1.9313 4.1808 4.1808 4.2952 4.2952 4.4842 4.4842 4.6381 4.6381 4.9397 4.9397 5.4476 5.4476 5.5351 5.5351 5.7538 5.7538 5.9184 5.9184 6.0325 6.0325 6.3626 6.3626 6.6911 6.6911 7.0004 7.0004 7.0955 7.0955 7.1780 7.1780 7.8663 7.8663 7.9668 7.9668 8.1761 8.1761 8.5213 8.5213 8.7368 8.7368 9.9763 9.9763 10.5044 10.5044 11.5026 11.5026 11.9908 11.9908 13.9507 13.9507 k = 0.4567 0.2637 0.3454 ( 13069 PWs) bands (ev): -36.7527 -36.7527 -36.7505 -36.7505 1.9624 1.9624 4.1746 4.1746 4.3198 4.3198 4.4963 4.4963 4.6564 4.6564 4.9065 4.9065 5.4379 5.4379 5.5420 5.5420 5.7384 5.7384 5.9208 5.9208 6.0298 6.0298 6.3581 6.3581 6.6975 6.6975 7.0085 7.0085 7.1029 7.1029 7.1869 7.1869 7.8565 7.8565 7.9639 7.9639 8.1832 8.1832 8.4990 8.4990 8.7323 8.7323 9.8908 9.8908 10.3963 10.3963 11.5041 11.5041 11.9784 11.9784 14.0521 14.0521 k = 0.4519 0.2609 0.3611 ( 13065 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 1.9968 1.9968 4.1664 4.1664 4.3464 4.3464 4.5102 4.5102 4.6759 4.6759 4.8734 4.8734 5.4273 5.4273 5.5485 5.5485 5.7226 5.7226 5.9229 5.9229 6.0279 6.0279 6.3525 6.3525 6.7042 6.7042 7.0168 7.0168 7.1093 7.1093 7.1963 7.1963 7.8454 7.8454 7.9609 7.9609 8.1908 8.1908 8.4742 8.4742 8.7277 8.7277 9.8012 9.8012 10.2875 10.2875 11.5058 11.5058 11.9670 11.9670 14.1583 14.1583 k = 0.4471 0.2581 0.3768 ( 13073 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0343 2.0343 4.1559 4.1559 4.3741 4.3741 4.5263 4.5263 4.6949 4.6949 4.8429 4.8429 5.4161 5.4161 5.5543 5.5543 5.7065 5.7065 5.9247 5.9247 6.0268 6.0268 6.3464 6.3464 6.7109 6.7109 7.0247 7.0247 7.1148 7.1148 7.2057 7.2057 7.8334 7.8334 7.9580 7.9580 8.1984 8.1984 8.4472 8.4472 8.7229 8.7229 9.7087 9.7087 10.1804 10.1804 11.5074 11.5074 11.9563 11.9563 14.2691 14.2691 k = 0.4423 0.2554 0.3925 ( 13071 PWs) bands (ev): -36.7526 -36.7526 -36.7506 -36.7506 2.0748 2.0748 4.1426 4.1426 4.4023 4.4023 4.5453 4.5453 4.7090 4.7090 4.8205 4.8205 5.4043 5.4043 5.5592 5.5592 5.6902 5.6902 5.9262 5.9262 6.0260 6.0260 6.3404 6.3404 6.7177 6.7177 7.0312 7.0312 7.1198 7.1198 7.2147 7.2147 7.8206 7.8206 7.9549 7.9549 8.2055 8.2055 8.4185 8.4185 8.7173 8.7173 9.6147 9.6147 10.0773 10.0773 11.5087 11.5087 11.9462 11.9462 14.3842 14.3842 k = 0.4375 0.2526 0.4082 ( 13060 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1182 2.1182 4.1259 4.1259 4.4295 4.4295 4.5680 4.5680 4.7098 4.7098 4.8156 4.8156 5.3920 5.3920 5.5630 5.5630 5.6740 5.6740 5.9274 5.9274 6.0252 6.0252 6.3349 6.3349 6.7246 6.7246 7.0357 7.0357 7.1248 7.1248 7.2226 7.2226 7.8074 7.8074 7.9516 7.9516 8.2112 8.2112 8.3885 8.3885 8.7107 8.7107 9.5204 9.5204 9.9801 9.9801 11.5095 11.5095 11.9365 11.9365 14.5032 14.5032 k = 0.4327 0.2498 0.4240 ( 13057 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.1641 2.1641 4.1052 4.1052 4.4546 4.4546 4.5953 4.5953 4.6957 4.6957 4.8308 4.8308 5.3796 5.3796 5.5653 5.5653 5.6580 5.6580 5.9284 5.9284 6.0240 6.0240 6.3305 6.3305 6.7316 6.7316 7.0374 7.0374 7.1299 7.1299 7.2289 7.2289 7.7942 7.7942 7.9479 7.9479 8.2141 8.2141 8.3582 8.3582 8.7027 8.7027 9.4274 9.4274 9.8908 9.8908 11.5100 11.5100 11.9270 11.9270 14.6253 14.6253 k = 0.4279 0.2470 0.4397 ( 13055 PWs) bands (ev): -36.7525 -36.7525 -36.7507 -36.7507 2.2124 2.2124 4.0801 4.0801 4.4762 4.4762 4.6277 4.6277 4.6762 4.6762 4.8580 4.8580 5.3670 5.3670 5.5659 5.5659 5.6424 5.6424 5.9290 5.9290 6.0217 6.0217 6.3279 6.3279 6.7388 6.7388 7.0357 7.0357 7.1352 7.1352 7.2330 7.2330 7.7814 7.7814 7.9438 7.9438 8.2123 8.2123 8.3292 8.3292 8.6928 8.6928 9.3370 9.3370 9.8112 9.8112 11.5099 11.5099 11.9177 11.9177 14.7490 14.7490 k = 0.4231 0.2443 0.4554 ( 13051 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.2628 2.2628 4.0504 4.0504 4.4936 4.4936 4.6553 4.6553 4.6681 4.6681 4.8911 4.8911 5.3545 5.3545 5.5643 5.5643 5.6277 5.6277 5.9293 5.9293 6.0179 6.0179 6.3276 6.3276 6.7465 6.7465 7.0305 7.0305 7.1400 7.1400 7.2346 7.2346 7.7692 7.7692 7.9389 7.9389 8.2027 8.2027 8.3039 8.3039 8.6811 8.6811 9.2507 9.2507 9.7428 9.7428 11.5094 11.5094 11.9086 11.9086 14.8668 14.8669 k = 0.4183 0.2415 0.4711 ( 13057 PWs) bands (ev): -36.7524 -36.7524 -36.7508 -36.7508 2.3148 2.3148 4.0159 4.0159 4.5069 4.5069 4.6430 4.6430 4.7088 4.7088 4.9278 4.9278 5.3422 5.3422 5.5601 5.5601 5.6142 5.6142 5.9291 5.9291 6.0125 6.0125 6.3299 6.3299 6.7547 6.7547 7.0219 7.0219 7.1439 7.1439 7.2331 7.2331 7.7579 7.7579 7.9329 7.9329 8.1833 8.1833 8.2841 8.2841 8.6681 8.6681 9.1694 9.1694 9.6869 9.6869 11.5085 11.5085 11.8995 11.8995 14.9141 14.9141 k = 0.4135 0.2387 0.4868 ( 13051 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.3680 2.3680 3.9768 3.9768 4.5160 4.5160 4.6350 4.6350 4.7548 4.7548 4.9671 4.9671 5.3304 5.3304 5.5528 5.5528 5.6026 5.6026 5.9281 5.9281 6.0054 6.0054 6.3351 6.3351 6.7635 6.7635 7.0099 7.0099 7.1459 7.1459 7.2284 7.2284 7.7477 7.7477 7.9254 7.9254 8.1556 8.1556 8.2683 8.2683 8.6545 8.6545 9.0939 9.0939 9.6445 9.6445 11.5073 11.5073 11.8905 11.8905 14.8470 14.8470 k = 0.4087 0.2359 0.5025 ( 13061 PWs) bands (ev): -36.7523 -36.7523 -36.7509 -36.7509 2.4220 2.4220 3.9338 3.9338 4.5217 4.5217 4.6327 4.6327 4.8037 4.8037 5.0078 5.0078 5.3194 5.3194 5.5429 5.5429 5.5925 5.5925 5.9257 5.9257 5.9975 5.9975 6.3429 6.3429 6.7730 6.7730 6.9948 6.9948 7.1453 7.1453 7.2203 7.2203 7.7384 7.7384 7.9156 7.9156 8.1241 8.1241 8.2535 8.2535 8.6418 8.6418 9.0245 9.0245 9.6158 9.6158 11.5059 11.5059 11.8816 11.8816 14.7558 14.7558 k = 0.4038 0.2332 0.5182 ( 13057 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.4760 2.4760 3.8876 3.8876 4.5255 4.5255 4.6352 4.6352 4.8545 4.8545 5.0488 5.0488 5.3102 5.3102 5.5312 5.5312 5.5836 5.5836 5.9212 5.9212 5.9897 5.9897 6.3529 6.3529 6.7829 6.7829 6.9768 6.9768 7.1418 7.1418 7.2088 7.2088 7.7299 7.7299 7.9023 7.9023 8.0929 8.0929 8.2373 8.2373 8.6310 8.6310 8.9615 8.9615 9.6004 9.6004 11.5042 11.5042 11.8726 11.8726 14.6580 14.6580 k = 0.3990 0.2304 0.5339 ( 13061 PWs) bands (ev): -36.7522 -36.7522 -36.7510 -36.7510 2.5293 2.5293 3.8391 3.8391 4.5288 4.5288 4.6411 4.6411 4.9061 4.9061 5.0882 5.0882 5.3042 5.3042 5.5187 5.5187 5.5748 5.5748 5.9141 5.9141 5.9834 5.9834 6.3642 6.3642 6.7927 6.7927 6.9567 6.9567 7.1350 7.1350 7.1936 7.1936 7.7221 7.7221 7.8845 7.8845 8.0657 8.0657 8.2196 8.2196 8.6232 8.6232 8.9052 8.9052 9.5972 9.5972 11.5024 11.5024 11.8637 11.8637 14.5577 14.5577 k = 0.3942 0.2276 0.5496 ( 13061 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.5809 2.5809 3.7896 3.7896 4.5327 4.5327 4.6491 4.6491 4.9570 4.9570 5.1228 5.1228 5.3046 5.3046 5.5067 5.5067 5.5658 5.5658 5.9044 5.9044 5.9792 5.9792 6.3757 6.3757 6.8011 6.8011 6.9362 6.9362 7.1251 7.1251 7.1746 7.1746 7.7148 7.7148 7.8613 7.8613 8.0449 8.0449 8.2012 8.2012 8.6182 8.6182 8.8558 8.8558 9.6050 9.6050 11.5006 11.5006 11.8548 11.8548 14.4564 14.4564 k = 0.3894 0.2248 0.5653 ( 13062 PWs) bands (ev): -36.7521 -36.7521 -36.7511 -36.7511 2.6295 2.6295 3.7402 3.7402 4.5378 4.5378 4.6586 4.6586 5.0049 5.0049 5.1485 5.1485 5.3156 5.3156 5.4958 5.4958 5.5566 5.5566 5.8933 5.8933 5.9773 5.9773 6.3858 6.3858 6.8056 6.8056 6.9190 6.9190 7.1126 7.1126 7.1517 7.1517 7.7081 7.7081 7.8334 7.8334 8.0310 8.0310 8.1834 8.1834 8.6158 8.6158 8.8138 8.8138 9.6223 9.6223 11.4989 11.4989 11.8460 11.8460 14.3549 14.3549 k = 0.3846 0.2221 0.5810 ( 13063 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.6739 2.6739 3.6926 3.6926 4.5443 4.5443 4.6694 4.6694 5.0455 5.0455 5.1648 5.1648 5.3385 5.3385 5.4874 5.4874 5.5479 5.5479 5.8825 5.8825 5.9772 5.9772 6.3922 6.3922 6.8032 6.8032 6.9095 6.9095 7.0977 7.0977 7.1256 7.1256 7.7019 7.7019 7.8028 7.8028 8.0232 8.0232 8.1679 8.1679 8.6147 8.6147 8.7796 8.7796 9.6477 9.6477 11.4972 11.4972 11.8372 11.8372 14.2537 14.2537 k = 0.3798 0.2193 0.5967 ( 13072 PWs) bands (ev): -36.7520 -36.7520 -36.7512 -36.7512 2.7120 2.7120 3.6482 3.6482 4.5519 4.5519 4.6816 4.6816 5.0715 5.0715 5.1792 5.1792 5.3674 5.3674 5.4831 5.4831 5.5421 5.5421 5.8738 5.8738 5.9786 5.9786 6.3923 6.3923 6.7942 6.7942 6.9092 6.9092 7.0806 7.0806 7.0979 7.0979 7.6950 7.6950 7.7728 7.7728 8.0198 8.0198 8.1560 8.1560 8.6136 8.6136 8.7538 8.7538 9.6799 9.6799 11.4958 11.4958 11.8284 11.8284 14.1530 14.1530 k = 0.3750 0.2165 0.6124 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6091 3.6091 4.5601 4.5601 4.6956 4.6956 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5436 5.5436 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9132 6.9132 7.0598 7.0598 7.0736 7.0736 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1484 8.1484 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8198 11.8198 14.0530 14.0530 k = 0.6250-0.0722 0.4082 ( 13092 PWs) bands (ev): -36.7520 -36.7520 -36.7513 -36.7513 2.7419 2.7419 3.6092 3.6092 4.5601 4.5601 4.6955 4.6955 5.0775 5.0775 5.1984 5.1984 5.3909 5.3909 5.4865 5.4865 5.5437 5.5437 5.8690 5.8690 5.9813 5.9813 6.3837 6.3837 6.7843 6.7843 6.9133 6.9133 7.0598 7.0598 7.0735 7.0735 7.6839 7.6839 7.7489 7.7489 8.0195 8.0195 8.1485 8.1485 8.6109 8.6109 8.7372 8.7372 9.7181 9.7181 11.4946 11.4946 11.8197 11.8197 14.0530 14.0530 k = 0.6167-0.0866 0.4082 ( 13068 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.7840 2.7840 3.5476 3.5476 4.5757 4.5757 4.7218 4.7218 5.0715 5.0715 5.2320 5.2320 5.4172 5.4172 5.4963 5.4963 5.5625 5.5625 5.8686 5.8686 5.9880 5.9880 6.3598 6.3598 6.7677 6.7677 6.9198 6.9198 7.0191 7.0191 7.0405 7.0405 7.6581 7.6581 7.7167 7.7167 8.0204 8.0204 8.1391 8.1391 8.6049 8.6049 8.7176 8.7176 9.7944 9.7944 11.4930 11.4930 11.8051 11.8051 13.8806 13.8806 k = 0.6083-0.1010 0.4082 ( 13060 PWs) bands (ev): -36.7519 -36.7519 -36.7513 -36.7513 2.8236 2.8236 3.4878 3.4878 4.5935 4.5935 4.7475 4.7475 5.0645 5.0645 5.2600 5.2600 5.4390 5.4390 5.5023 5.5023 5.5882 5.5882 5.8751 5.8751 5.9963 5.9963 6.3358 6.3358 6.7485 6.7485 6.9210 6.9210 6.9805 6.9805 7.0128 7.0128 7.6327 7.6327 7.6847 7.6847 8.0205 8.0205 8.1285 8.1285 8.5999 8.5999 8.7003 8.7003 9.8815 9.8815 11.4916 11.4916 11.7911 11.7911 13.7088 13.7088 k = 0.6000-0.1155 0.4082 ( 13070 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.8604 2.8604 3.4305 3.4305 4.6126 4.6126 4.7722 4.7722 5.0578 5.0578 5.2804 5.2804 5.4566 5.4566 5.5120 5.5120 5.6137 5.6137 5.8889 5.8889 6.0058 6.0058 6.3123 6.3123 6.7276 6.7276 6.9054 6.9054 6.9487 6.9487 6.9963 6.9963 7.6079 7.6079 7.6537 7.6537 8.0199 8.0199 8.1166 8.1166 8.5959 8.5959 8.6851 8.6851 9.9785 9.9785 11.4905 11.4905 11.7778 11.7778 13.5379 13.5379 k = 0.5917-0.1299 0.4082 ( 13066 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.8945 2.8945 3.3764 3.3764 4.6325 4.6325 4.7949 4.7949 5.0524 5.0524 5.2921 5.2921 5.4711 5.4711 5.5284 5.5284 5.6357 5.6357 5.9096 5.9096 6.0161 6.0161 6.2902 6.2902 6.7053 6.7053 6.8721 6.8721 6.9237 6.9237 6.9919 6.9919 7.5838 7.5838 7.6243 7.6243 8.0189 8.0189 8.1036 8.1036 8.5929 8.5929 8.6716 8.6716 10.0841 10.0841 11.4897 11.4897 11.7652 11.7652 13.3682 13.3682 k = 0.5833-0.1443 0.4082 ( 13056 PWs) bands (ev): -36.7518 -36.7518 -36.7514 -36.7514 2.9257 2.9257 3.3260 3.3260 4.6528 4.6528 4.8147 4.8147 5.0496 5.0496 5.2952 5.2952 5.4851 5.4851 5.5498 5.5498 5.6532 5.6532 5.9352 5.9352 6.0270 6.0270 6.2707 6.2707 6.6813 6.6813 6.8323 6.8323 6.9017 6.9017 6.9925 6.9925 7.5607 7.5607 7.5970 7.5970 8.0175 8.0175 8.0899 8.0899 8.5907 8.5907 8.6597 8.6597 10.1972 10.1972 11.4891 11.4891 11.7533 11.7533 13.1998 13.1998 k = 0.5750-0.1588 0.4082 ( 13056 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 2.9540 2.9540 3.2797 3.2797 4.6730 4.6730 4.8305 4.8305 5.0503 5.0503 5.2916 5.2916 5.4997 5.4997 5.5735 5.5735 5.6670 5.6670 5.9612 5.9612 6.0400 6.0400 6.2557 6.2557 6.6552 6.6552 6.7906 6.7906 6.8833 6.8833 6.9930 6.9930 7.5392 7.5392 7.5719 7.5719 8.0159 8.0159 8.0761 8.0761 8.5893 8.5893 8.6491 8.6491 10.3168 10.3168 11.4888 11.4888 11.7423 11.7423 13.0328 13.0328 k = 0.5667-0.1732 0.4082 ( 13054 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 2.9794 2.9794 3.2376 3.2376 4.6928 4.6928 4.8416 4.8416 5.0554 5.0554 5.2835 5.2835 5.5151 5.5151 5.5968 5.5968 5.6788 5.6788 5.9794 5.9794 6.0601 6.0601 6.2470 6.2470 6.6271 6.6271 6.7484 6.7484 6.8693 6.8693 6.9912 6.9912 7.5196 7.5196 7.5492 7.5492 8.0140 8.0140 8.0626 8.0626 8.5886 8.5886 8.6399 8.6399 10.4418 10.4418 11.4886 11.4886 11.7321 11.7321 12.8675 12.8675 k = 0.5583-0.1876 0.4082 ( 13040 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0018 3.0018 3.2001 3.2001 4.7120 4.7120 4.8478 4.8478 5.0648 5.0648 5.2725 5.2725 5.5308 5.5308 5.6172 5.6172 5.6912 5.6912 5.9830 5.9830 6.0911 6.0911 6.2461 6.2461 6.5973 6.5973 6.7059 6.7059 6.8600 6.8600 6.9866 6.9866 7.5024 7.5024 7.5288 7.5288 8.0121 8.0121 8.0500 8.0500 8.5886 8.5886 8.6319 8.6319 10.5715 10.5715 11.4886 11.4886 11.7229 11.7229 12.7038 12.7038 k = 0.5500-0.2021 0.4082 ( 13036 PWs) bands (ev): -36.7517 -36.7517 -36.7515 -36.7515 3.0212 3.0212 3.1673 3.1673 4.7302 4.7302 4.8498 4.8498 5.0779 5.0779 5.2600 5.2600 5.5464 5.5464 5.6318 5.6318 5.7066 5.7066 5.9742 5.9742 6.1300 6.1300 6.2528 6.2528 6.5663 6.5663 6.6632 6.6632 6.8551 6.8551 6.9790 6.9790 7.4878 7.4878 7.5108 7.5108 8.0101 8.0101 8.0385 8.0385 8.5890 8.5890 8.6249 8.6249 10.7050 10.7050 11.4887 11.4887 11.7147 11.7147 12.5420 12.5420 k = 0.5417-0.2165 0.4082 ( 13036 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0377 3.0377 3.1394 3.1394 4.7474 4.7474 4.8483 4.8483 5.0935 5.0935 5.2467 5.2467 5.5617 5.5617 5.6399 5.6399 5.7259 5.7259 5.9577 5.9577 6.1726 6.1726 6.2659 6.2659 6.5348 6.5348 6.6203 6.6203 6.8543 6.8543 6.9686 6.9686 7.4760 7.4760 7.4951 7.4951 8.0082 8.0082 8.0285 8.0285 8.5900 8.5900 8.6189 8.6189 10.8416 10.8416 11.4888 11.4888 11.7075 11.7075 12.3823 12.3823 k = 0.5333-0.2309 0.4082 ( 13022 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0511 3.0511 3.1164 3.1164 4.7633 4.7633 4.8443 4.8443 5.1103 5.1103 5.2331 5.2331 5.5764 5.5764 5.6428 5.6428 5.7478 5.7478 5.9368 5.9368 6.2169 6.2169 6.2840 6.2840 6.5032 6.5032 6.5772 6.5772 6.8572 6.8572 6.9560 6.9560 7.4668 7.4668 7.4819 7.4819 8.0065 8.0065 8.0201 8.0201 8.5913 8.5913 8.6137 8.6137 10.9803 10.9803 11.4890 11.4890 11.7016 11.7016 12.2252 12.2252 k = 0.5250-0.2454 0.4082 ( 13026 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0616 3.0616 3.0985 3.0985 4.7778 4.7778 4.8385 4.8385 5.1275 5.1275 5.2192 5.2192 5.5904 5.5904 5.6421 5.6421 5.7707 5.7707 5.9135 5.9135 6.2616 6.2616 6.3057 6.3057 6.4719 6.4719 6.5339 6.5339 6.8633 6.8633 6.9418 6.9418 7.4602 7.4602 7.4713 7.4713 8.0051 8.0051 8.0135 8.0135 8.5930 8.5930 8.6093 8.6093 11.1200 11.1200 11.4891 11.4891 11.6970 11.6970 12.0716 12.0716 k = 0.5167-0.2598 0.4082 ( 13034 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0690 3.0690 3.0856 3.0856 4.7910 4.7910 4.8313 4.8313 5.1444 5.1444 5.2052 5.2052 5.6034 5.6034 5.6385 5.6385 5.7941 5.7941 5.8893 5.8893 6.3057 6.3057 6.3304 6.3304 6.4414 6.4414 6.4904 6.4904 6.8723 6.8723 6.9267 6.9267 7.4560 7.4560 7.4632 7.4632 8.0040 8.0040 8.0086 8.0086 8.5949 8.5949 8.6056 8.6056 11.2580 11.2580 11.4887 11.4887 11.6940 11.6940 11.9239 11.9239 k = 0.5083-0.2742 0.4082 ( 13048 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0735 3.0735 3.0779 3.0779 4.8029 4.8029 4.8230 4.8230 5.1606 5.1606 5.1909 5.1909 5.6149 5.6149 5.6327 5.6327 5.8175 5.8175 5.8651 5.8651 6.3460 6.3460 6.3593 6.3593 6.4127 6.4127 6.4471 6.4471 6.8837 6.8837 6.9115 6.9115 7.4542 7.4542 7.4577 7.4577 8.0036 8.0036 8.0055 8.0055 8.5970 8.5970 8.6023 8.6023 11.3856 11.3856 11.4867 11.4867 11.6936 11.6936 11.7910 11.7910 k = 0.5000-0.2887 0.4082 ( 13064 PWs) bands (ev): -36.7516 -36.7516 -36.7516 -36.7516 3.0751 3.0751 3.0752 3.0752 4.8135 4.8135 4.8136 4.8136 5.1760 5.1760 5.1761 5.1761 5.6247 5.6247 5.6248 5.6248 5.8411 5.8411 5.8411 5.8411 6.3747 6.3747 6.3748 6.3748 6.4073 6.4073 6.4074 6.4074 6.8970 6.8970 6.8970 6.8970 7.4547 7.4547 7.4548 7.4548 8.0039 8.0039 8.0040 8.0040 8.5995 8.5995 8.5995 8.5995 11.4691 11.4691 11.4691 11.4691 11.7080 11.7080 11.7081 11.7081 Writing output data file LiPt2.save init_run : 0.27s CPU 0.42s WALL ( 1 calls) electrons : 403.87s CPU 407.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 403.86s CPU 407.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.18s WALL ( 280 calls) cegterg : 365.47s CPU 368.09s WALL ( 505 calls) Called by sum_band: Called by *egterg: h_psi : 263.31s CPU 265.35s WALL ( 8127 calls) s_psi : 12.69s CPU 12.59s WALL ( 8127 calls) g_psi : 0.82s CPU 0.89s WALL ( 7342 calls) cdiaghg : 62.86s CPU 63.65s WALL ( 7622 calls) cegterg:over : 19.79s CPU 19.98s WALL ( 7342 calls) cegterg:upda : 19.31s CPU 19.28s WALL ( 7342 calls) cegterg:last : 10.24s CPU 10.25s WALL ( 1345 calls) cdiaghg:chol : 3.57s CPU 3.69s WALL ( 7622 calls) cdiaghg:inve : 2.50s CPU 2.50s WALL ( 7622 calls) cdiaghg:para : 4.06s CPU 3.93s WALL ( 15244 calls) Called by h_psi: h_psi:vloc : 235.31s CPU 237.08s WALL ( 8127 calls) h_psi:vnl : 26.99s CPU 27.22s WALL ( 8127 calls) add_vuspsi : 13.56s CPU 13.61s WALL ( 8127 calls) General routines calbec : 13.39s CPU 13.58s WALL ( 8127 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 221.97s CPU 223.85s WALL ( 966416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.57s WALL ( 560 calls) Parallel routines fft_scatter : 66.00s CPU 67.04s WALL ( 966439 calls) PWSCF : 7m14.62s CPU 7m35.46s WALL This run was terminated on: 20:45:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=