Program PWSCF v.5.1.1 starts on 28Jun2015 at 17:53:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdSe.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 14 4 4300 492 80 Max 61 15 5 4311 504 89 Sum 2905 685 199 206627 23931 3911 bravais-lattice index = 14 lattice parameter (alat) = 8.1224 a.u. unit-cell volume = 756.6922 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.122420 celldm(2)= 1.000000 celldm(3)= 1.630543 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.630543 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.613293 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) 12 Sym. Ops. (no inversion) found ( 6 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8152715 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0133324), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0266649), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0399973), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0533298), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0666622), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0799947), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0933271), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1066596), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1199920), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.1333245), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.1466569), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.1599894), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1733218), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1866543), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.1999867), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2133192), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2266516), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.2399841), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.2533165), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.2666490), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.2799814), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.2933139), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.3066463), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.3066463), wk = 0.0032051 k( 146) = ( 0.0116279 0.0067134 0.3066463), wk = 0.0032051 k( 147) = ( 0.0232558 0.0134267 0.3066463), wk = 0.0032051 k( 148) = ( 0.0348837 0.0201401 0.3066463), wk = 0.0032051 k( 149) = ( 0.0465116 0.0268535 0.3066463), wk = 0.0032051 k( 150) = ( 0.0581395 0.0335669 0.3066463), wk = 0.0032051 k( 151) = ( 0.0697674 0.0402803 0.3066463), wk = 0.0032051 k( 152) = ( 0.0813954 0.0469936 0.3066463), wk = 0.0032051 k( 153) = ( 0.0930233 0.0537070 0.3066463), wk = 0.0032051 k( 154) = ( 0.1046512 0.0604204 0.3066463), wk = 0.0032051 k( 155) = ( 0.1162791 0.0671338 0.3066463), wk = 0.0032051 k( 156) = ( 0.1279070 0.0738471 0.3066463), wk = 0.0032051 k( 157) = ( 0.1395349 0.0805605 0.3066463), wk = 0.0032051 k( 158) = ( 0.1511628 0.0872739 0.3066463), wk = 0.0032051 k( 159) = ( 0.1627907 0.0939873 0.3066463), wk = 0.0032051 k( 160) = ( 0.1744186 0.1007006 0.3066463), wk = 0.0032051 k( 161) = ( 0.1860465 0.1074140 0.3066463), wk = 0.0032051 k( 162) = ( 0.1976744 0.1141274 0.3066463), wk = 0.0032051 k( 163) = ( 0.2093023 0.1208408 0.3066463), wk = 0.0032051 k( 164) = ( 0.2209302 0.1275541 0.3066463), wk = 0.0032051 k( 165) = ( 0.2325581 0.1342675 0.3066463), wk = 0.0032051 k( 166) = ( 0.2441860 0.1409809 0.3066463), wk = 0.0032051 k( 167) = ( 0.2558140 0.1476943 0.3066463), wk = 0.0032051 k( 168) = ( 0.2674419 0.1544076 0.3066463), wk = 0.0032051 k( 169) = ( 0.2790698 0.1611210 0.3066463), wk = 0.0032051 k( 170) = ( 0.2906977 0.1678344 0.3066463), wk = 0.0032051 k( 171) = ( 0.3023256 0.1745478 0.3066463), wk = 0.0032051 k( 172) = ( 0.3139535 0.1812611 0.3066463), wk = 0.0032051 k( 173) = ( 0.3255814 0.1879745 0.3066463), wk = 0.0032051 k( 174) = ( 0.3372093 0.1946879 0.3066463), wk = 0.0032051 k( 175) = ( 0.3488372 0.2014013 0.3066463), wk = 0.0032051 k( 176) = ( 0.3604651 0.2081146 0.3066463), wk = 0.0032051 k( 177) = ( 0.3720930 0.2148280 0.3066463), wk = 0.0032051 k( 178) = ( 0.3837209 0.2215414 0.3066463), wk = 0.0032051 k( 179) = ( 0.3953488 0.2282548 0.3066463), wk = 0.0032051 k( 180) = ( 0.4069767 0.2349681 0.3066463), wk = 0.0032051 k( 181) = ( 0.4186047 0.2416815 0.3066463), wk = 0.0032051 k( 182) = ( 0.4302326 0.2483949 0.3066463), wk = 0.0032051 k( 183) = ( 0.4418605 0.2551083 0.3066463), wk = 0.0032051 k( 184) = ( 0.4534884 0.2618216 0.3066463), wk = 0.0032051 k( 185) = ( 0.4651163 0.2685350 0.3066463), wk = 0.0032051 k( 186) = ( 0.4767442 0.2752484 0.3066463), wk = 0.0032051 k( 187) = ( 0.4883721 0.2819618 0.3066463), wk = 0.0032051 k( 188) = ( 0.5000000 0.2886751 0.3066463), wk = 0.0032051 k( 189) = ( 0.5000000 0.2886751 0.3066463), wk = 0.0032051 k( 190) = ( 0.4933333 0.3002221 0.3066463), wk = 0.0032051 k( 191) = ( 0.4866667 0.3117692 0.3066463), wk = 0.0032051 k( 192) = ( 0.4800000 0.3233162 0.3066463), wk = 0.0032051 k( 193) = ( 0.4733333 0.3348632 0.3066463), wk = 0.0032051 k( 194) = ( 0.4666667 0.3464102 0.3066463), wk = 0.0032051 k( 195) = ( 0.4600000 0.3579572 0.3066463), wk = 0.0032051 k( 196) = ( 0.4533333 0.3695042 0.3066463), wk = 0.0032051 k( 197) = ( 0.4466667 0.3810512 0.3066463), wk = 0.0032051 k( 198) = ( 0.4400000 0.3925982 0.3066463), wk = 0.0032051 k( 199) = ( 0.4333333 0.4041452 0.3066463), wk = 0.0032051 k( 200) = ( 0.4266667 0.4156922 0.3066463), wk = 0.0032051 k( 201) = ( 0.4200000 0.4272392 0.3066463), wk = 0.0032051 k( 202) = ( 0.4133333 0.4387862 0.3066463), wk = 0.0032051 k( 203) = ( 0.4066667 0.4503332 0.3066463), wk = 0.0032051 k( 204) = ( 0.4000000 0.4618802 0.3066463), wk = 0.0032051 k( 205) = ( 0.3933333 0.4734272 0.3066463), wk = 0.0032051 k( 206) = ( 0.3866667 0.4849742 0.3066463), wk = 0.0032051 k( 207) = ( 0.3800000 0.4965212 0.3066463), wk = 0.0032051 k( 208) = ( 0.3733333 0.5080682 0.3066463), wk = 0.0032051 k( 209) = ( 0.3666667 0.5196152 0.3066463), wk = 0.0032051 k( 210) = ( 0.3600000 0.5311622 0.3066463), wk = 0.0032051 k( 211) = ( 0.3533333 0.5427092 0.3066463), wk = 0.0032051 k( 212) = ( 0.3466667 0.5542563 0.3066463), wk = 0.0032051 k( 213) = ( 0.3400000 0.5658033 0.3066463), wk = 0.0032051 k( 214) = ( 0.3333333 0.5773503 0.3066463), wk = 0.0032051 k( 215) = ( 0.3333333 0.5773503 0.3066463), wk = 0.0032051 k( 216) = ( 0.3265306 0.5655676 0.3066463), wk = 0.0032051 k( 217) = ( 0.3197279 0.5537850 0.3066463), wk = 0.0032051 k( 218) = ( 0.3129252 0.5420023 0.3066463), wk = 0.0032051 k( 219) = ( 0.3061224 0.5302196 0.3066463), wk = 0.0032051 k( 220) = ( 0.2993197 0.5184370 0.3066463), wk = 0.0032051 k( 221) = ( 0.2925170 0.5066543 0.3066463), wk = 0.0032051 k( 222) = ( 0.2857143 0.4948717 0.3066463), wk = 0.0032051 k( 223) = ( 0.2789116 0.4830890 0.3066463), wk = 0.0032051 k( 224) = ( 0.2721088 0.4713063 0.3066463), wk = 0.0032051 k( 225) = ( 0.2653061 0.4595237 0.3066463), wk = 0.0032051 k( 226) = ( 0.2585034 0.4477410 0.3066463), wk = 0.0032051 k( 227) = ( 0.2517007 0.4359584 0.3066463), wk = 0.0032051 k( 228) = ( 0.2448980 0.4241757 0.3066463), wk = 0.0032051 k( 229) = ( 0.2380952 0.4123931 0.3066463), wk = 0.0032051 k( 230) = ( 0.2312925 0.4006104 0.3066463), wk = 0.0032051 k( 231) = ( 0.2244898 0.3888277 0.3066463), wk = 0.0032051 k( 232) = ( 0.2176871 0.3770451 0.3066463), wk = 0.0032051 k( 233) = ( 0.2108843 0.3652624 0.3066463), wk = 0.0032051 k( 234) = ( 0.2040816 0.3534798 0.3066463), wk = 0.0032051 k( 235) = ( 0.1972789 0.3416971 0.3066463), wk = 0.0032051 k( 236) = ( 0.1904762 0.3299144 0.3066463), wk = 0.0032051 k( 237) = ( 0.1836735 0.3181318 0.3066463), wk = 0.0032051 k( 238) = ( 0.1768707 0.3063491 0.3066463), wk = 0.0032051 k( 239) = ( 0.1700680 0.2945665 0.3066463), wk = 0.0032051 k( 240) = ( 0.1632653 0.2827838 0.3066463), wk = 0.0032051 k( 241) = ( 0.1564626 0.2710012 0.3066463), wk = 0.0032051 k( 242) = ( 0.1496599 0.2592185 0.3066463), wk = 0.0032051 k( 243) = ( 0.1428571 0.2474358 0.3066463), wk = 0.0032051 k( 244) = ( 0.1360544 0.2356532 0.3066463), wk = 0.0032051 k( 245) = ( 0.1292517 0.2238705 0.3066463), wk = 0.0032051 k( 246) = ( 0.1224490 0.2120879 0.3066463), wk = 0.0032051 k( 247) = ( 0.1156463 0.2003052 0.3066463), wk = 0.0032051 k( 248) = ( 0.1088435 0.1885225 0.3066463), wk = 0.0032051 k( 249) = ( 0.1020408 0.1767399 0.3066463), wk = 0.0032051 k( 250) = ( 0.0952381 0.1649572 0.3066463), wk = 0.0032051 k( 251) = ( 0.0884354 0.1531746 0.3066463), wk = 0.0032051 k( 252) = ( 0.0816327 0.1413919 0.3066463), wk = 0.0032051 k( 253) = ( 0.0748299 0.1296092 0.3066463), wk = 0.0032051 k( 254) = ( 0.0680272 0.1178266 0.3066463), wk = 0.0032051 k( 255) = ( 0.0612245 0.1060439 0.3066463), wk = 0.0032051 k( 256) = ( 0.0544218 0.0942613 0.3066463), wk = 0.0032051 k( 257) = ( 0.0476191 0.0824786 0.3066463), wk = 0.0032051 k( 258) = ( 0.0408163 0.0706960 0.3066463), wk = 0.0032051 k( 259) = ( 0.0340136 0.0589133 0.3066463), wk = 0.0032051 k( 260) = ( 0.0272109 0.0471306 0.3066463), wk = 0.0032051 k( 261) = ( 0.0204082 0.0353480 0.3066463), wk = 0.0032051 k( 262) = ( 0.0136054 0.0235653 0.3066463), wk = 0.0032051 k( 263) = ( 0.0068027 0.0117827 0.3066463), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.3066463), wk = 0.0032051 k( 265) = ( 0.5000000 0.2886751 0.3066463), wk = 0.0032051 k( 266) = ( 0.5000000 0.2886751 0.2933139), wk = 0.0032051 k( 267) = ( 0.5000000 0.2886751 0.2799814), wk = 0.0032051 k( 268) = ( 0.5000000 0.2886751 0.2666490), wk = 0.0032051 k( 269) = ( 0.5000000 0.2886751 0.2533165), wk = 0.0032051 k( 270) = ( 0.5000000 0.2886751 0.2399841), wk = 0.0032051 k( 271) = ( 0.5000000 0.2886751 0.2266516), wk = 0.0032051 k( 272) = ( 0.5000000 0.2886751 0.2133192), wk = 0.0032051 k( 273) = ( 0.5000000 0.2886751 0.1999867), wk = 0.0032051 k( 274) = ( 0.5000000 0.2886751 0.1866543), wk = 0.0032051 k( 275) = ( 0.5000000 0.2886751 0.1733218), wk = 0.0032051 k( 276) = ( 0.5000000 0.2886751 0.1599894), wk = 0.0032051 k( 277) = ( 0.5000000 0.2886751 0.1466569), wk = 0.0032051 k( 278) = ( 0.5000000 0.2886751 0.1333245), wk = 0.0032051 k( 279) = ( 0.5000000 0.2886751 0.1199920), wk = 0.0032051 k( 280) = ( 0.5000000 0.2886751 0.1066596), wk = 0.0032051 k( 281) = ( 0.5000000 0.2886751 0.0933271), wk = 0.0032051 k( 282) = ( 0.5000000 0.2886751 0.0799947), wk = 0.0032051 k( 283) = ( 0.5000000 0.2886751 0.0666622), wk = 0.0032051 k( 284) = ( 0.5000000 0.2886751 0.0533298), wk = 0.0032051 k( 285) = ( 0.5000000 0.2886751 0.0399973), wk = 0.0032051 k( 286) = ( 0.5000000 0.2886751 0.0266649), wk = 0.0032051 k( 287) = ( 0.5000000 0.2886751 0.0133324), wk = 0.0032051 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.5773503 0.0133324), wk = 0.0032051 k( 291) = ( 0.3333333 0.5773503 0.0266649), wk = 0.0032051 k( 292) = ( 0.3333333 0.5773503 0.0399973), wk = 0.0032051 k( 293) = ( 0.3333333 0.5773503 0.0533298), wk = 0.0032051 k( 294) = ( 0.3333333 0.5773503 0.0666622), wk = 0.0032051 k( 295) = ( 0.3333333 0.5773503 0.0799947), wk = 0.0032051 k( 296) = ( 0.3333333 0.5773503 0.0933271), wk = 0.0032051 k( 297) = ( 0.3333333 0.5773503 0.1066596), wk = 0.0032051 k( 298) = ( 0.3333333 0.5773503 0.1199920), wk = 0.0032051 k( 299) = ( 0.3333333 0.5773503 0.1333245), wk = 0.0032051 k( 300) = ( 0.3333333 0.5773503 0.1466569), wk = 0.0032051 k( 301) = ( 0.3333333 0.5773503 0.1599894), wk = 0.0032051 k( 302) = ( 0.3333333 0.5773503 0.1733218), wk = 0.0032051 k( 303) = ( 0.3333333 0.5773503 0.1866543), wk = 0.0032051 k( 304) = ( 0.3333333 0.5773503 0.1999867), wk = 0.0032051 k( 305) = ( 0.3333333 0.5773503 0.2133192), wk = 0.0032051 k( 306) = ( 0.3333333 0.5773503 0.2266516), wk = 0.0032051 k( 307) = ( 0.3333333 0.5773503 0.2399841), wk = 0.0032051 k( 308) = ( 0.3333333 0.5773503 0.2533165), wk = 0.0032051 k( 309) = ( 0.3333333 0.5773503 0.2666490), wk = 0.0032051 k( 310) = ( 0.3333333 0.5773503 0.2799814), wk = 0.0032051 k( 311) = ( 0.3333333 0.5773503 0.2933139), wk = 0.0032051 k( 312) = ( 0.3333333 0.5773503 0.3066463), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0032051 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0032051 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0032051 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0032051 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0032051 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0032051 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0032051 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0032051 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0032051 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0032051 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0032051 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0032051 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0032051 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0032051 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4767442 -0.0000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0032051 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0032051 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0032051 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0032051 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0032051 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0032051 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0032051 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0032051 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0032051 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0032051 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0032051 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0032051 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0032051 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0032051 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032051 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0032051 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0032051 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0032051 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 72) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0032051 k( 73) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0032051 k( 74) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0032051 k( 75) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0032051 k( 76) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0032051 k( 77) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0032051 k( 78) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032051 k( 79) = ( 0.2789116 0.2789116 0.0000000), wk = 0.0032051 k( 80) = ( 0.2721088 0.2721088 0.0000000), wk = 0.0032051 k( 81) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032051 k( 82) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0032051 k( 83) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0032051 k( 84) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032051 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0032051 k( 86) = ( 0.2312925 0.2312925 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0032051 k( 88) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0032051 k( 89) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0032051 k( 90) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0032051 k( 91) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0032051 k( 92) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0032051 k( 93) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032051 k( 94) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0032051 k( 95) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0032051 k( 96) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0032051 k( 97) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0032051 k( 98) = ( 0.1496599 0.1496599 0.0000000), wk = 0.0032051 k( 99) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032051 k( 100) = ( 0.1360544 0.1360544 0.0000000), wk = 0.0032051 k( 101) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0032051 k( 102) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032051 k( 103) = ( 0.1156463 0.1156463 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0032051 k( 106) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0884354 0.0884354 0.0000000), wk = 0.0032051 k( 108) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0032051 k( 109) = ( 0.0748299 0.0748299 0.0000000), wk = 0.0032051 k( 110) = ( 0.0680272 0.0680272 0.0000000), wk = 0.0032051 k( 111) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032051 k( 112) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0032051 k( 115) = ( 0.0340136 0.0340136 0.0000000), wk = 0.0032051 k( 116) = ( 0.0272109 0.0272109 0.0000000), wk = 0.0032051 k( 117) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0032051 k( 118) = ( 0.0136054 0.0136054 0.0000000), wk = 0.0032051 k( 119) = ( 0.0068027 0.0068027 0.0000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032051 k( 169) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032051 k( 170) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0032051 k( 171) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032051 k( 172) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0032051 k( 174) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0032051 k( 175) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0032051 k( 176) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032051 k( 177) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032051 k( 179) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032051 k( 180) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032051 k( 181) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032051 k( 182) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032051 k( 191) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032051 k( 192) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032051 k( 193) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032051 k( 194) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032051 k( 195) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032051 k( 197) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032051 k( 198) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032051 k( 200) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032051 k( 201) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032051 k( 202) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032051 k( 203) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032051 k( 204) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032051 k( 206) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032051 k( 207) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032051 k( 208) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032051 k( 209) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032051 k( 210) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032051 k( 211) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032051 k( 212) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032051 k( 213) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032051 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 216) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032051 k( 217) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0032051 k( 218) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0032051 k( 219) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0032051 k( 220) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0032051 k( 221) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0032051 k( 222) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032051 k( 223) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0032051 k( 224) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0032051 k( 225) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032051 k( 226) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0032051 k( 227) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0032051 k( 228) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032051 k( 229) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0032051 k( 230) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0032051 k( 231) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032051 k( 232) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0032051 k( 233) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0032051 k( 234) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032051 k( 235) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0032051 k( 236) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0032051 k( 237) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032051 k( 238) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0032051 k( 239) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0032051 k( 240) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032051 k( 241) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0032051 k( 242) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0032051 k( 243) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032051 k( 244) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0032051 k( 245) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0032051 k( 246) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032051 k( 247) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0032051 k( 248) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0032051 k( 249) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032051 k( 250) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0032051 k( 251) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0032051 k( 252) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032051 k( 253) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0032051 k( 254) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0032051 k( 255) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032051 k( 256) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0032051 k( 257) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0032051 k( 258) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032051 k( 259) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0032051 k( 260) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0032051 k( 261) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032051 k( 262) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0032051 k( 263) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0032051 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 266) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032051 k( 267) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032051 k( 268) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032051 k( 269) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032051 k( 270) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 289) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032051 k( 290) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0032051 k( 291) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0032051 k( 292) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0032051 k( 293) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0032051 k( 294) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0032051 k( 295) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0032051 k( 296) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0032051 k( 297) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0032051 k( 298) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0032051 k( 299) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0032051 k( 300) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0032051 k( 301) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0032051 k( 302) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0032051 k( 303) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0032051 k( 304) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0032051 k( 305) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0032051 k( 306) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0032051 k( 307) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0032051 k( 308) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0032051 k( 309) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0032051 k( 310) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0032051 k( 311) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0032051 k( 312) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 Dense grid: 206627 G-vectors FFT dimensions: ( 72, 72, 108) Smooth grid: 23931 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 44) NL pseudopotentials 0.09 Mb ( 60, 96) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 4304) G-vector shells 0.01 Mb ( 1904) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 120, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./CdSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.6 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 44.8 secs Computing kpt #: 4 total cpu time spent up to now is 46.4 secs Computing kpt #: 5 total cpu time spent up to now is 48.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.7 secs Computing kpt #: 7 total cpu time spent up to now is 51.3 secs Computing kpt #: 8 total cpu time spent up to now is 53.1 secs Computing kpt #: 9 total cpu time spent up to now is 55.1 secs Computing kpt #: 10 total cpu time spent up to now is 56.6 secs Computing kpt #: 11 total cpu time spent up to now is 58.3 secs Computing kpt #: 12 total cpu time spent up to now is 60.2 secs Computing kpt #: 13 total cpu time spent up to now is 62.4 secs Computing kpt #: 14 total cpu time spent up to now is 64.7 secs Computing kpt #: 15 total cpu time spent up to now is 66.6 secs Computing kpt #: 16 total cpu time spent up to now is 68.9 secs Computing kpt #: 17 total cpu time spent up to now is 71.3 secs Computing kpt #: 18 total cpu time spent up to now is 73.0 secs Computing kpt #: 19 total cpu time spent up to now is 74.6 secs Computing kpt #: 20 total cpu time spent up to now is 77.0 secs Computing kpt #: 21 total cpu time spent up to now is 78.6 secs Computing kpt #: 22 total cpu time spent up to now is 80.2 secs Computing kpt #: 23 total cpu time spent up to now is 81.7 secs Computing kpt #: 24 total cpu time spent up to now is 83.1 secs Computing kpt #: 25 total cpu time spent up to now is 84.4 secs Computing kpt #: 26 total cpu time spent up to now is 86.0 secs Computing kpt #: 27 total cpu time spent up to now is 87.4 secs Computing kpt #: 28 total cpu time spent up to now is 89.0 secs Computing kpt #: 29 total cpu time spent up to now is 90.6 secs Computing kpt #: 30 total cpu time spent up to now is 91.9 secs Computing kpt #: 31 total cpu time spent up to now is 93.3 secs Computing kpt #: 32 total cpu time spent up to now is 94.5 secs Computing kpt #: 33 total cpu time spent up to now is 95.9 secs Computing kpt #: 34 total cpu time spent up to now is 97.2 secs Computing kpt #: 35 total cpu time spent up to now is 98.7 secs Computing kpt #: 36 total cpu time spent up to now is 100.1 secs Computing kpt #: 37 total cpu time spent up to now is 101.6 secs Computing kpt #: 38 total cpu time spent up to now is 103.6 secs Computing kpt #: 39 total cpu time spent up to now is 105.2 secs Computing kpt #: 40 total cpu time spent up to now is 106.6 secs Computing kpt #: 41 total cpu time spent up to now is 108.3 secs Computing kpt #: 42 total cpu time spent up to now is 109.8 secs Computing kpt #: 43 total cpu time spent up to now is 111.5 secs Computing kpt #: 44 total cpu time spent up to now is 113.2 secs Computing kpt #: 45 total cpu time spent up to now is 114.5 secs Computing kpt #: 46 total cpu time spent up to now is 116.0 secs Computing kpt #: 47 total cpu time spent up to now is 117.5 secs Computing kpt #: 48 total cpu time spent up to now is 119.0 secs Computing kpt #: 49 total cpu time spent up to now is 120.6 secs Computing kpt #: 50 total cpu time spent up to now is 122.4 secs Computing kpt #: 51 total cpu time spent up to now is 124.6 secs Computing kpt #: 52 total cpu time spent up to now is 126.3 secs Computing kpt #: 53 total cpu time spent up to now is 128.1 secs Computing kpt #: 54 total cpu time spent up to now is 130.7 secs Computing kpt #: 55 total cpu time spent up to now is 132.3 secs Computing kpt #: 56 total cpu time spent up to now is 134.3 secs Computing kpt #: 57 total cpu time spent up to now is 136.0 secs Computing kpt #: 58 total cpu time spent up to now is 137.9 secs Computing kpt #: 59 total cpu time spent up to now is 139.5 secs Computing kpt #: 60 total cpu time spent up to now is 141.0 secs Computing kpt #: 61 total cpu time spent up to now is 142.6 secs Computing kpt #: 62 total cpu time spent up to now is 144.2 secs Computing kpt #: 63 total cpu time spent up to now is 145.8 secs Computing kpt #: 64 total cpu time spent up to now is 147.5 secs Computing kpt #: 65 total cpu time spent up to now is 149.5 secs Computing kpt #: 66 total cpu time spent up to now is 151.8 secs Computing kpt #: 67 total cpu time spent up to now is 154.1 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.9 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.9 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.8 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.7 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.5 secs Computing kpt #: 75 total cpu time spent up to now is 176.7 secs Computing kpt #: 76 total cpu time spent up to now is 178.6 secs Computing kpt #: 77 total cpu time spent up to now is 180.4 secs Computing kpt #: 78 total cpu time spent up to now is 182.0 secs Computing kpt #: 79 total cpu time spent up to now is 183.5 secs Computing kpt #: 80 total cpu time spent up to now is 184.9 secs Computing kpt #: 81 total cpu time spent up to now is 186.4 secs Computing kpt #: 82 total cpu time spent up to now is 187.8 secs Computing kpt #: 83 total cpu time spent up to now is 189.1 secs Computing kpt #: 84 total cpu time spent up to now is 190.4 secs Computing kpt #: 85 total cpu time spent up to now is 191.7 secs Computing kpt #: 86 total cpu time spent up to now is 192.9 secs Computing kpt #: 87 total cpu time spent up to now is 194.1 secs Computing kpt #: 88 total cpu time spent up to now is 195.4 secs Computing kpt #: 89 total cpu time spent up to now is 197.0 secs Computing kpt #: 90 total cpu time spent up to now is 198.4 secs Computing kpt #: 91 total cpu time spent up to now is 199.7 secs Computing kpt #: 92 total cpu time spent up to now is 200.9 secs Computing kpt #: 93 total cpu time spent up to now is 202.3 secs Computing kpt #: 94 total cpu time spent up to now is 204.0 secs Computing kpt #: 95 total cpu time spent up to now is 205.5 secs Computing kpt #: 96 total cpu time spent up to now is 206.9 secs Computing kpt #: 97 total cpu time spent up to now is 208.4 secs Computing kpt #: 98 total cpu time spent up to now is 209.8 secs Computing kpt #: 99 total cpu time spent up to now is 211.2 secs Computing kpt #: 100 total cpu time spent up to now is 212.9 secs Computing kpt #: 101 total cpu time spent up to now is 214.7 secs Computing kpt #: 102 total cpu time spent up to now is 216.9 secs Computing kpt #: 103 total cpu time spent up to now is 218.3 secs Computing kpt #: 104 total cpu time spent up to now is 219.7 secs Computing kpt #: 105 total cpu time spent up to now is 221.2 secs Computing kpt #: 106 total cpu time spent up to now is 222.7 secs Computing kpt #: 107 total cpu time spent up to now is 224.4 secs Computing kpt #: 108 total cpu time spent up to now is 225.9 secs Computing kpt #: 109 total cpu time spent up to now is 227.5 secs Computing kpt #: 110 total cpu time spent up to now is 229.1 secs Computing kpt #: 111 total cpu time spent up to now is 230.7 secs Computing kpt #: 112 total cpu time spent up to now is 232.2 secs Computing kpt #: 113 total cpu time spent up to now is 233.7 secs Computing kpt #: 114 total cpu time spent up to now is 235.1 secs Computing kpt #: 115 total cpu time spent up to now is 236.5 secs Computing kpt #: 116 total cpu time spent up to now is 238.0 secs Computing kpt #: 117 total cpu time spent up to now is 239.7 secs Computing kpt #: 118 total cpu time spent up to now is 241.3 secs Computing kpt #: 119 total cpu time spent up to now is 242.9 secs Computing kpt #: 120 total cpu time spent up to now is 244.2 secs Computing kpt #: 121 total cpu time spent up to now is 245.5 secs Computing kpt #: 122 total cpu time spent up to now is 247.0 secs Computing kpt #: 123 total cpu time spent up to now is 248.3 secs Computing kpt #: 124 total cpu time spent up to now is 249.7 secs Computing kpt #: 125 total cpu time spent up to now is 251.0 secs Computing kpt #: 126 total cpu time spent up to now is 252.6 secs Computing kpt #: 127 total cpu time spent up to now is 254.7 secs Computing kpt #: 128 total cpu time spent up to now is 256.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.6 secs Computing kpt #: 130 total cpu time spent up to now is 261.3 secs Computing kpt #: 131 total cpu time spent up to now is 263.0 secs Computing kpt #: 132 total cpu time spent up to now is 264.6 secs Computing kpt #: 133 total cpu time spent up to now is 266.3 secs Computing kpt #: 134 total cpu time spent up to now is 267.9 secs Computing kpt #: 135 total cpu time spent up to now is 269.7 secs Computing kpt #: 136 total cpu time spent up to now is 271.6 secs Computing kpt #: 137 total cpu time spent up to now is 273.3 secs Computing kpt #: 138 total cpu time spent up to now is 275.3 secs Computing kpt #: 139 total cpu time spent up to now is 277.2 secs Computing kpt #: 140 total cpu time spent up to now is 279.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.3 secs Computing kpt #: 142 total cpu time spent up to now is 283.9 secs Computing kpt #: 143 total cpu time spent up to now is 285.3 secs Computing kpt #: 144 total cpu time spent up to now is 286.8 secs Computing kpt #: 145 total cpu time spent up to now is 288.5 secs Computing kpt #: 146 total cpu time spent up to now is 290.1 secs Computing kpt #: 147 total cpu time spent up to now is 291.5 secs Computing kpt #: 148 total cpu time spent up to now is 292.9 secs Computing kpt #: 149 total cpu time spent up to now is 294.3 secs Computing kpt #: 150 total cpu time spent up to now is 295.7 secs Computing kpt #: 151 total cpu time spent up to now is 297.1 secs Computing kpt #: 152 total cpu time spent up to now is 298.7 secs Computing kpt #: 153 total cpu time spent up to now is 300.3 secs Computing kpt #: 154 total cpu time spent up to now is 302.2 secs Computing kpt #: 155 total cpu time spent up to now is 304.3 secs Computing kpt #: 156 total cpu time spent up to now is 305.5 secs Computing kpt #: 157 total cpu time spent up to now is 306.8 secs Computing kpt #: 158 total cpu time spent up to now is 308.0 secs Computing kpt #: 159 total cpu time spent up to now is 309.2 secs Computing kpt #: 160 total cpu time spent up to now is 310.6 secs Computing kpt #: 161 total cpu time spent up to now is 311.8 secs Computing kpt #: 162 total cpu time spent up to now is 313.2 secs Computing kpt #: 163 total cpu time spent up to now is 314.7 secs Computing kpt #: 164 total cpu time spent up to now is 316.5 secs Computing kpt #: 165 total cpu time spent up to now is 318.2 secs Computing kpt #: 166 total cpu time spent up to now is 319.4 secs Computing kpt #: 167 total cpu time spent up to now is 320.6 secs Computing kpt #: 168 total cpu time spent up to now is 321.9 secs Computing kpt #: 169 total cpu time spent up to now is 323.1 secs Computing kpt #: 170 total cpu time spent up to now is 324.3 secs Computing kpt #: 171 total cpu time spent up to now is 325.6 secs Computing kpt #: 172 total cpu time spent up to now is 326.9 secs Computing kpt #: 173 total cpu time spent up to now is 328.1 secs Computing kpt #: 174 total cpu time spent up to now is 329.3 secs Computing kpt #: 175 total cpu time spent up to now is 330.5 secs Computing kpt #: 176 total cpu time spent up to now is 331.7 secs Computing kpt #: 177 total cpu time spent up to now is 333.0 secs Computing kpt #: 178 total cpu time spent up to now is 334.2 secs Computing kpt #: 179 total cpu time spent up to now is 335.4 secs Computing kpt #: 180 total cpu time spent up to now is 336.6 secs Computing kpt #: 181 total cpu time spent up to now is 337.8 secs Computing kpt #: 182 total cpu time spent up to now is 339.0 secs Computing kpt #: 183 total cpu time spent up to now is 340.2 secs Computing kpt #: 184 total cpu time spent up to now is 341.3 secs Computing kpt #: 185 total cpu time spent up to now is 342.7 secs Computing kpt #: 186 total cpu time spent up to now is 343.9 secs Computing kpt #: 187 total cpu time spent up to now is 345.1 secs Computing kpt #: 188 total cpu time spent up to now is 346.2 secs Computing kpt #: 189 total cpu time spent up to now is 347.3 secs Computing kpt #: 190 total cpu time spent up to now is 348.5 secs Computing kpt #: 191 total cpu time spent up to now is 349.7 secs Computing kpt #: 192 total cpu time spent up to now is 350.8 secs Computing kpt #: 193 total cpu time spent up to now is 352.0 secs Computing kpt #: 194 total cpu time spent up to now is 353.2 secs Computing kpt #: 195 total cpu time spent up to now is 354.3 secs Computing kpt #: 196 total cpu time spent up to now is 355.5 secs Computing kpt #: 197 total cpu time spent up to now is 356.7 secs Computing kpt #: 198 total cpu time spent up to now is 357.9 secs Computing kpt #: 199 total cpu time spent up to now is 359.2 secs Computing kpt #: 200 total cpu time spent up to now is 360.5 secs Computing kpt #: 201 total cpu time spent up to now is 361.7 secs Computing kpt #: 202 total cpu time spent up to now is 363.0 secs Computing kpt #: 203 total cpu time spent up to now is 364.3 secs Computing kpt #: 204 total cpu time spent up to now is 365.7 secs Computing kpt #: 205 total cpu time spent up to now is 367.1 secs Computing kpt #: 206 total cpu time spent up to now is 368.5 secs Computing kpt #: 207 total cpu time spent up to now is 369.9 secs Computing kpt #: 208 total cpu time spent up to now is 371.4 secs Computing kpt #: 209 total cpu time spent up to now is 373.0 secs Computing kpt #: 210 total cpu time spent up to now is 374.6 secs Computing kpt #: 211 total cpu time spent up to now is 376.3 secs Computing kpt #: 212 total cpu time spent up to now is 377.9 secs Computing kpt #: 213 total cpu time spent up to now is 379.5 secs Computing kpt #: 214 total cpu time spent up to now is 381.2 secs Computing kpt #: 215 total cpu time spent up to now is 382.8 secs Computing kpt #: 216 total cpu time spent up to now is 384.8 secs Computing kpt #: 217 total cpu time spent up to now is 386.7 secs Computing kpt #: 218 total cpu time spent up to now is 388.6 secs Computing kpt #: 219 total cpu time spent up to now is 390.1 secs Computing kpt #: 220 total cpu time spent up to now is 391.7 secs Computing kpt #: 221 total cpu time spent up to now is 393.1 secs Computing kpt #: 222 total cpu time spent up to now is 394.6 secs Computing kpt #: 223 total cpu time spent up to now is 396.1 secs Computing kpt #: 224 total cpu time spent up to now is 397.9 secs Computing kpt #: 225 total cpu time spent up to now is 399.3 secs Computing kpt #: 226 total cpu time spent up to now is 400.6 secs Computing kpt #: 227 total cpu time spent up to now is 402.1 secs Computing kpt #: 228 total cpu time spent up to now is 403.5 secs Computing kpt #: 229 total cpu time spent up to now is 405.0 secs Computing kpt #: 230 total cpu time spent up to now is 406.4 secs Computing kpt #: 231 total cpu time spent up to now is 407.7 secs Computing kpt #: 232 total cpu time spent up to now is 409.2 secs Computing kpt #: 233 total cpu time spent up to now is 410.6 secs Computing kpt #: 234 total cpu time spent up to now is 412.4 secs Computing kpt #: 235 total cpu time spent up to now is 413.7 secs Computing kpt #: 236 total cpu time spent up to now is 415.0 secs Computing kpt #: 237 total cpu time spent up to now is 416.2 secs Computing kpt #: 238 total cpu time spent up to now is 417.7 secs Computing kpt #: 239 total cpu time spent up to now is 418.9 secs Computing kpt #: 240 total cpu time spent up to now is 420.2 secs Computing kpt #: 241 total cpu time spent up to now is 421.5 secs Computing kpt #: 242 total cpu time spent up to now is 422.8 secs Computing kpt #: 243 total cpu time spent up to now is 424.1 secs Computing kpt #: 244 total cpu time spent up to now is 425.3 secs Computing kpt #: 245 total cpu time spent up to now is 426.7 secs Computing kpt #: 246 total cpu time spent up to now is 427.9 secs Computing kpt #: 247 total cpu time spent up to now is 429.1 secs Computing kpt #: 248 total cpu time spent up to now is 430.4 secs Computing kpt #: 249 total cpu time spent up to now is 432.0 secs Computing kpt #: 250 total cpu time spent up to now is 433.3 secs Computing kpt #: 251 total cpu time spent up to now is 434.5 secs Computing kpt #: 252 total cpu time spent up to now is 435.8 secs Computing kpt #: 253 total cpu time spent up to now is 437.0 secs Computing kpt #: 254 total cpu time spent up to now is 438.4 secs Computing kpt #: 255 total cpu time spent up to now is 439.8 secs Computing kpt #: 256 total cpu time spent up to now is 441.1 secs Computing kpt #: 257 total cpu time spent up to now is 442.5 secs Computing kpt #: 258 total cpu time spent up to now is 444.2 secs Computing kpt #: 259 total cpu time spent up to now is 445.6 secs Computing kpt #: 260 total cpu time spent up to now is 447.0 secs Computing kpt #: 261 total cpu time spent up to now is 448.5 secs Computing kpt #: 262 total cpu time spent up to now is 449.9 secs Computing kpt #: 263 total cpu time spent up to now is 451.5 secs Computing kpt #: 264 total cpu time spent up to now is 452.9 secs Computing kpt #: 265 total cpu time spent up to now is 454.0 secs Computing kpt #: 266 total cpu time spent up to now is 455.2 secs Computing kpt #: 267 total cpu time spent up to now is 456.4 secs Computing kpt #: 268 total cpu time spent up to now is 457.5 secs Computing kpt #: 269 total cpu time spent up to now is 458.7 secs Computing kpt #: 270 total cpu time spent up to now is 459.8 secs Computing kpt #: 271 total cpu time spent up to now is 461.1 secs Computing kpt #: 272 total cpu time spent up to now is 462.3 secs Computing kpt #: 273 total cpu time spent up to now is 463.5 secs Computing kpt #: 274 total cpu time spent up to now is 464.6 secs Computing kpt #: 275 total cpu time spent up to now is 465.8 secs Computing kpt #: 276 total cpu time spent up to now is 467.0 secs Computing kpt #: 277 total cpu time spent up to now is 468.1 secs Computing kpt #: 278 total cpu time spent up to now is 469.3 secs Computing kpt #: 279 total cpu time spent up to now is 470.5 secs Computing kpt #: 280 total cpu time spent up to now is 471.6 secs Computing kpt #: 281 total cpu time spent up to now is 472.9 secs Computing kpt #: 282 total cpu time spent up to now is 474.1 secs Computing kpt #: 283 total cpu time spent up to now is 475.3 secs Computing kpt #: 284 total cpu time spent up to now is 476.5 secs Computing kpt #: 285 total cpu time spent up to now is 477.6 secs Computing kpt #: 286 total cpu time spent up to now is 478.8 secs Computing kpt #: 287 total cpu time spent up to now is 480.1 secs Computing kpt #: 288 total cpu time spent up to now is 481.4 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.3 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.3 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.2 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.6 secs Computing kpt #: 294 total cpu time spent up to now is 499.2 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.0 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.8 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.6 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.4 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.2 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.1 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.9 secs Computing kpt #: 302 total cpu time spent up to now is 521.4 secs Computing kpt #: 303 total cpu time spent up to now is 523.4 secs Computing kpt #: 304 total cpu time spent up to now is 525.3 secs Computing kpt #: 305 total cpu time spent up to now is 527.6 secs Computing kpt #: 306 total cpu time spent up to now is 529.8 secs Computing kpt #: 307 total cpu time spent up to now is 532.3 secs Computing kpt #: 308 total cpu time spent up to now is 534.7 secs Computing kpt #: 309 total cpu time spent up to now is 536.9 secs Computing kpt #: 310 total cpu time spent up to now is 538.6 secs Computing kpt #: 311 total cpu time spent up to now is 540.5 secs Computing kpt #: 312 total cpu time spent up to now is 542.3 secs ethr = 2.78E-11, avg # of iterations = 44.0 total cpu time spent up to now is 542.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2995 PWs) bands (ev): -7.2662 -7.2662 -6.8863 -6.8863 -2.8740 -2.8740 -2.8587 -2.8587 -2.8268 -2.8268 -2.5390 -2.5390 -2.3376 -2.3376 -2.2100 -2.2100 -2.0792 -2.0792 -2.0694 -2.0694 -1.9534 -1.9534 -1.7154 -1.7154 0.9406 0.9406 4.4594 4.4594 4.6938 4.6938 5.0915 5.0915 5.4436 5.4436 5.4716 5.4716 6.0307 6.0307 7.5541 7.5541 10.9938 10.9938 11.3394 11.3394 k = 0.0116 0.0067-0.0000 ( 2979 PWs) bands (ev): -7.2657 -7.2657 -6.8862 -6.8860 -2.8739 -2.8738 -2.8597 -2.8575 -2.8266 -2.8266 -2.5458 -2.5321 -2.3379 -2.3369 -2.2123 -2.2074 -2.0801 -2.0783 -2.0694 -2.0694 -1.9535 -1.9535 -1.7195 -1.7110 0.9399 0.9430 4.4539 4.4561 4.6887 4.6888 5.0827 5.0897 5.4267 5.4439 5.4589 5.4625 6.0504 6.0556 7.5605 7.5627 10.9900 10.9961 11.3370 11.3373 k = 0.0233 0.0134-0.0000 ( 2973 PWs) bands (ev): -7.2644 -7.2644 -6.8856 -6.8854 -2.8735 -2.8733 -2.8604 -2.8560 -2.8260 -2.8260 -2.5525 -2.5250 -2.3378 -2.3358 -2.2144 -2.2046 -2.0808 -2.0772 -2.0694 -2.0694 -1.9537 -1.9536 -1.7233 -1.7063 0.9410 0.9472 4.4395 4.4440 4.6741 4.6742 5.0620 5.0760 5.3825 5.4099 5.4499 5.4518 6.1079 6.1163 7.5817 7.5862 10.9844 10.9964 11.3299 11.3318 k = 0.0349 0.0201-0.0000 ( 2975 PWs) bands (ev): -7.2623 -7.2623 -6.8847 -6.8843 -2.8729 -2.8725 -2.8605 -2.8543 -2.8250 -2.8250 -2.5591 -2.5179 -2.3372 -2.3342 -2.2161 -2.2015 -2.0815 -2.0759 -2.0693 -2.0693 -1.9540 -1.9539 -1.7267 -1.7013 0.9437 0.9531 4.4153 4.4222 4.6513 4.6517 5.0266 5.0466 5.3255 5.3578 5.4431 5.4456 6.1890 6.1989 7.6169 7.6235 10.9757 10.9932 11.3194 11.3248 k = 0.0465 0.0269-0.0000 ( 2975 PWs) bands (ev): -7.2593 -7.2593 -6.8833 -6.8828 -2.8724 -2.8712 -2.8601 -2.8525 -2.8236 -2.8235 -2.5654 -2.5107 -2.3362 -2.3322 -2.2174 -2.1983 -2.0820 -2.0746 -2.0693 -2.0692 -1.9544 -1.9542 -1.7297 -1.6961 0.9482 0.9608 4.3804 4.3897 4.6226 4.6233 4.9736 4.9968 5.2732 5.3076 5.4335 5.4393 6.2831 6.2935 7.6647 7.6737 10.9625 10.9845 11.3087 11.3189 k = 0.0581 0.0336-0.0000 ( 2971 PWs) bands (ev): -7.2554 -7.2554 -6.8816 -6.8810 -2.8719 -2.8697 -2.8588 -2.8505 -2.8218 -2.8216 -2.5716 -2.5035 -2.3347 -2.3299 -2.2184 -2.1950 -2.0823 -2.0732 -2.0692 -2.0691 -1.9549 -1.9546 -1.7324 -1.6907 0.9543 0.9702 4.3339 4.3455 4.5904 4.5912 4.9029 4.9258 5.2328 5.2658 5.4223 5.4309 6.3841 6.3946 7.7238 7.7351 10.9431 10.9678 11.3015 11.3165 k = 0.0698 0.0403-0.0000 ( 2967 PWs) bands (ev): -7.2508 -7.2507 -6.8795 -6.8788 -2.8717 -2.8677 -2.8567 -2.8484 -2.8197 -2.8193 -2.5777 -2.4963 -2.3329 -2.3271 -2.2189 -2.1915 -2.0826 -2.0716 -2.0690 -2.0689 -1.9556 -1.9551 -1.7347 -1.6850 0.9621 0.9813 4.2757 4.2894 4.5565 4.5570 4.8182 4.8387 5.2027 5.2324 5.4093 5.4203 6.4887 6.4991 7.7923 7.8061 10.9167 10.9414 11.3011 11.3195 k = 0.0814 0.0470-0.0000 ( 2963 PWs) bands (ev): -7.2453 -7.2453 -6.8771 -6.8762 -2.8716 -2.8655 -2.8538 -2.8462 -2.8172 -2.8166 -2.5835 -2.4891 -2.3305 -2.3240 -2.2190 -2.1880 -2.0827 -2.0699 -2.0688 -2.0686 -1.9564 -1.9556 -1.7366 -1.6791 0.9713 0.9940 4.2066 4.2221 4.5209 4.5214 4.7243 4.7424 5.1783 5.2045 5.3944 5.4076 6.5949 6.6051 7.8684 7.8848 10.8832 10.9057 11.3087 11.3291 k = 0.0930 0.0537-0.0000 ( 2963 PWs) bands (ev): -7.2390 -7.2390 -6.8743 -6.8733 -2.8716 -2.8630 -2.8501 -2.8438 -2.8143 -2.8134 -2.5891 -2.4820 -2.3278 -2.3205 -2.2186 -2.1844 -2.0827 -2.0685 -2.0683 -2.0681 -1.9572 -1.9561 -1.7381 -1.6730 0.9821 1.0084 4.1281 4.1450 4.4820 4.4844 4.6259 4.6426 5.1564 5.1796 5.3777 5.3928 6.7016 6.7116 7.9504 7.9695 10.8439 10.8625 11.3238 11.3452 k = 0.1047 0.0604-0.0000 ( 2960 PWs) bands (ev): -7.2320 -7.2320 -6.8712 -6.8701 -2.8717 -2.8603 -2.8457 -2.8413 -2.8111 -2.8098 -2.5946 -2.4750 -2.3247 -2.3166 -2.2177 -2.1809 -2.0826 -2.0681 -2.0677 -2.0662 -1.9582 -1.9566 -1.7392 -1.6668 0.9942 1.0243 4.0418 4.0599 4.4358 4.4419 4.5290 4.5461 5.1352 5.1560 5.3591 5.3760 6.8079 6.8177 8.0364 8.0583 10.8006 10.8145 11.3447 11.3670 k = 0.1163 0.0671-0.0000 ( 2962 PWs) bands (ev): -7.2243 -7.2243 -6.8678 -6.8666 -2.8716 -2.8574 -2.8406 -2.8387 -2.8075 -2.8058 -2.5998 -2.4681 -2.3211 -2.3124 -2.2163 -2.1774 -2.0824 -2.0675 -2.0671 -2.0641 -1.9592 -1.9571 -1.7399 -1.6604 1.0077 1.0416 3.9494 3.9687 4.3702 4.3785 4.4502 4.4665 5.1135 5.1324 5.3387 5.3572 6.9134 6.9229 8.1247 8.1494 10.7554 10.7642 11.3696 11.3936 k = 0.1279 0.0738-0.0000 ( 2968 PWs) bands (ev): -7.2159 -7.2158 -6.8641 -6.8628 -2.8716 -2.8544 -2.8359 -2.8349 -2.8036 -2.8013 -2.6048 -2.4613 -2.3172 -2.3079 -2.2143 -2.1740 -2.0820 -2.0668 -2.0663 -2.0618 -1.9602 -1.9575 -1.7401 -1.6539 1.0224 1.0603 3.8523 3.8728 4.2790 4.2854 4.3993 4.4107 5.0910 5.1083 5.3165 5.3364 7.0175 7.0267 8.2135 8.2411 10.7104 10.7139 11.3963 11.4237 k = 0.1395 0.0806-0.0000 ( 2976 PWs) bands (ev): -7.2068 -7.2067 -6.8602 -6.8588 -2.8714 -2.8512 -2.8329 -2.8287 -2.7994 -2.7964 -2.6097 -2.4548 -2.3130 -2.3031 -2.2117 -2.1707 -2.0816 -2.0657 -2.0654 -2.0594 -1.9613 -1.9579 -1.7399 -1.6473 1.0382 1.0803 3.7518 3.7735 4.1756 4.1819 4.3576 4.3659 5.0672 5.0833 5.2927 5.3139 7.1199 7.1288 8.3011 8.3316 10.6655 10.6672 11.4226 11.4558 k = 0.1512 0.0873-0.0000 ( 2976 PWs) bands (ev): -7.1971 -7.1970 -6.8560 -6.8545 -2.8712 -2.8481 -2.8297 -2.8218 -2.7949 -2.7911 -2.6143 -2.4484 -2.3084 -2.2981 -2.2086 -2.1676 -2.0812 -2.0644 -2.0643 -2.0568 -1.9624 -1.9582 -1.7393 -1.6406 1.0549 1.1015 3.6492 3.6720 4.0686 4.0761 4.3175 4.3240 5.0421 5.0571 5.2674 5.2897 7.2203 7.2288 8.3858 8.4191 10.6207 10.6277 11.4449 11.4881 k = 0.1628 0.0940-0.0000 ( 2972 PWs) bands (ev): -7.1868 -7.1867 -6.8517 -6.8501 -2.8708 -2.8451 -2.8262 -2.8144 -2.7900 -2.7853 -2.6188 -2.4423 -2.3036 -2.2927 -2.2048 -2.1647 -2.0807 -2.0632 -2.0628 -2.0539 -1.9634 -1.9584 -1.7383 -1.6337 1.0724 1.1237 3.5452 3.5694 3.9605 3.9699 4.2775 4.2829 5.0154 5.0296 5.2405 5.2638 7.3184 7.3265 8.4660 8.5018 10.5807 10.5933 11.4583 11.5161 k = 0.1744 0.1007-0.0000 ( 2972 PWs) bands (ev): -7.1760 -7.1759 -6.8472 -6.8455 -2.8704 -2.8421 -2.8225 -2.8065 -2.7848 -2.7790 -2.6230 -2.4365 -2.2985 -2.2871 -2.2005 -2.1620 -2.0801 -2.0619 -2.0607 -2.0507 -1.9643 -1.9584 -1.7369 -1.6268 1.0906 1.1467 3.4409 3.4664 3.8524 3.8643 4.2372 4.2418 4.9872 5.0007 5.2124 5.2365 7.4138 7.4215 8.5402 8.5782 10.5465 10.5650 11.4576 11.5271 k = 0.1860 0.1074-0.0000 ( 2980 PWs) bands (ev): -7.1647 -7.1646 -6.8426 -6.8408 -2.8698 -2.8394 -2.8186 -2.7982 -2.7793 -2.7723 -2.6271 -2.4309 -2.2932 -2.2814 -2.1956 -2.1595 -2.0795 -2.0606 -2.0582 -2.0471 -1.9652 -1.9584 -1.7351 -1.6198 1.1091 1.1703 3.3369 3.3637 3.7450 3.7597 4.1966 4.2005 4.9575 4.9704 5.1830 5.2078 7.5065 7.5137 8.6069 8.6466 10.5189 10.5437 11.4407 11.5052 k = 0.1977 0.1141-0.0000 ( 2984 PWs) bands (ev): -7.1530 -7.1528 -6.8379 -6.8361 -2.8692 -2.8369 -2.8144 -2.7896 -2.7736 -2.7649 -2.6310 -2.4256 -2.2879 -2.2754 -2.1901 -2.1572 -2.0788 -2.0592 -2.0552 -2.0432 -1.9659 -1.9581 -1.7329 -1.6129 1.1277 1.1943 3.2340 3.2621 3.6385 3.6566 4.1557 4.1592 4.9262 4.9385 5.1527 5.1779 7.5960 7.6028 8.6650 8.7059 10.4981 10.5295 11.4113 11.4646 k = 0.2093 0.1208-0.0000 ( 2986 PWs) bands (ev): -7.1408 -7.1407 -6.8332 -6.8312 -2.8685 -2.8345 -2.8100 -2.7808 -2.7675 -2.7569 -2.6347 -2.4207 -2.2825 -2.2693 -2.1840 -2.1551 -2.0781 -2.0578 -2.0518 -2.0389 -1.9665 -1.9577 -1.7303 -1.6058 1.1462 1.2183 3.1328 3.1622 3.5335 3.5552 4.1147 4.1178 4.8933 4.9051 5.1215 5.1470 7.6821 7.6885 8.7139 8.7553 10.4839 10.5221 11.3750 11.4193 k = 0.2209 0.1276-0.0000 ( 2990 PWs) bands (ev): -7.1284 -7.1282 -6.8284 -6.8264 -2.8676 -2.8324 -2.8055 -2.7719 -2.7612 -2.7481 -2.6383 -2.4160 -2.2771 -2.2632 -2.1774 -2.1532 -2.0773 -2.0565 -2.0478 -2.0342 -1.9668 -1.9571 -1.7274 -1.5989 1.1643 1.2422 3.0338 3.0644 3.4301 3.4561 4.0737 4.0766 4.8588 4.8703 5.0897 5.1154 7.7647 7.7706 8.7531 8.7943 10.4754 10.5204 11.3357 11.3743 k = 0.2326 0.1343-0.0000 ( 2990 PWs) bands (ev): -7.1157 -7.1155 -6.8237 -6.8216 -2.8667 -2.8306 -2.8009 -2.7632 -2.7547 -2.7385 -2.6417 -2.4117 -2.2717 -2.2570 -2.1703 -2.1514 -2.0764 -2.0552 -2.0434 -2.0291 -1.9668 -1.9563 -1.7241 -1.5919 1.1816 1.2653 2.9378 2.9691 3.3288 3.3596 4.0329 4.0357 4.8228 4.8339 5.0574 5.0831 7.8436 7.8489 8.7829 8.8234 10.4716 10.5226 11.2964 11.3319 k = 0.2442 0.1410-0.0000 ( 2982 PWs) bands (ev): -7.1027 -7.1025 -6.8190 -6.8168 -2.8657 -2.8289 -2.7962 -2.7547 -2.7480 -2.7279 -2.6449 -2.4077 -2.2665 -2.2508 -2.1629 -2.1496 -2.0753 -2.0540 -2.0385 -2.0235 -1.9663 -1.9552 -1.7205 -1.5851 1.1976 1.2874 2.8452 2.8769 3.2300 3.2662 3.9925 3.9951 4.7852 4.7960 5.0250 5.0506 7.9184 7.9232 8.8038 8.8431 10.4705 10.5266 11.2589 11.2937 k = 0.2558 0.1477-0.0000 ( 2986 PWs) bands (ev): -7.0896 -7.0893 -6.8144 -6.8122 -2.8647 -2.8274 -2.7915 -2.7465 -2.7411 -2.7164 -2.6480 -2.4041 -2.2615 -2.2447 -2.1551 -2.1479 -2.0741 -2.0529 -2.0332 -2.0175 -1.9653 -1.9540 -1.7166 -1.5784 1.2121 1.3077 2.7565 2.7879 3.1342 3.1766 3.9526 3.9552 4.7461 4.7566 4.9927 5.0179 7.9890 7.9934 8.8169 8.8545 10.4704 10.5296 11.2249 11.2610 k = 0.2674 0.1544-0.0000 ( 2982 PWs) bands (ev): -7.0764 -7.0761 -6.8099 -6.8077 -2.8635 -2.8261 -2.7867 -2.7386 -2.7341 -2.7042 -2.6509 -2.4008 -2.2568 -2.2388 -2.1470 -2.1461 -2.0727 -2.0519 -2.0277 -2.0111 -1.9636 -1.9525 -1.7125 -1.5720 1.2244 1.3258 2.6722 2.7023 3.0419 3.0914 3.9134 3.9160 4.7056 4.7158 4.9606 4.9853 8.0553 8.0592 8.8232 8.8589 10.4693 10.5294 11.1957 11.2352 k = 0.2791 0.1611-0.0000 ( 2982 PWs) bands (ev): -7.0631 -7.0628 -6.8056 -6.8033 -2.8623 -2.8251 -2.7821 -2.7309 -2.7270 -2.6912 -2.6536 -2.3979 -2.2523 -2.2332 -2.1441 -2.1389 -2.0711 -2.0510 -2.0221 -2.0044 -1.9608 -1.9507 -1.7083 -1.5658 1.2343 1.3409 2.5925 2.6203 2.9539 3.0114 3.8751 3.8777 4.6636 4.6736 4.9291 4.9531 8.1171 8.1206 8.8239 8.8576 10.4655 10.5241 11.1726 11.2170 k = 0.2907 0.1678-0.0000 ( 2984 PWs) bands (ev): -7.0499 -7.0495 -6.8015 -6.7992 -2.8611 -2.8242 -2.7774 -2.7236 -2.7198 -2.6777 -2.6561 -2.3954 -2.2482 -2.2279 -2.1420 -2.1309 -2.0692 -2.0502 -2.0168 -1.9974 -1.9568 -1.9485 -1.7039 -1.5599 1.2414 1.3524 2.5176 2.5417 2.8713 2.9374 3.8377 3.8405 4.6204 4.6301 4.8983 4.9216 8.1744 8.1775 8.8203 8.8519 10.4577 10.5128 11.1564 11.2067 k = 0.3023 0.1745-0.0000 ( 2988 PWs) bands (ev): -7.0368 -7.0364 -6.7976 -6.7952 -2.8598 -2.8235 -2.7729 -2.7167 -2.7126 -2.6638 -2.6583 -2.3933 -2.2443 -2.2230 -2.1395 -2.1231 -2.0670 -2.0495 -2.0119 -1.9903 -1.9511 -1.9460 -1.6995 -1.5546 1.2451 1.3596 2.4472 2.4662 2.7953 2.8705 3.8016 3.8044 4.5760 4.5854 4.8685 4.8908 8.2270 8.2298 8.8134 8.8429 10.4453 10.4954 11.1477 11.2041 k = 0.3140 0.1813-0.0000 ( 2992 PWs) bands (ev): -7.0238 -7.0233 -6.7939 -6.7916 -2.8584 -2.8230 -2.7684 -2.7102 -2.7056 -2.6604 -2.6493 -2.3915 -2.2408 -2.2186 -2.1367 -2.1158 -2.0643 -2.0488 -2.0077 -1.9832 -1.9434 -1.9428 -1.6952 -1.5497 1.2455 1.3619 2.3806 2.3936 2.7273 2.8114 3.7667 3.7697 4.5306 4.5398 4.8397 4.8610 8.2751 8.2775 8.8042 8.8316 10.4283 10.4726 11.1465 11.2084 k = 0.3256 0.1880-0.0000 ( 2990 PWs) bands (ev): -7.0110 -7.0105 -6.7905 -6.7882 -2.8570 -2.8227 -2.7640 -2.7043 -2.6986 -2.6620 -2.6346 -2.3903 -2.2376 -2.2148 -2.1335 -2.1091 -2.0613 -2.0483 -2.0042 -1.9763 -1.9388 -1.9338 -1.6911 -1.5456 1.2423 1.3591 2.3170 2.3234 2.6690 2.7609 3.7332 3.7365 4.4845 4.4933 4.8121 4.8323 8.3186 8.3207 8.7935 8.8189 10.4072 10.4456 11.1526 11.2189 k = 0.3372 0.1947-0.0000 ( 2992 PWs) bands (ev): -6.9985 -6.9980 -6.7874 -6.7851 -2.8556 -2.8225 -2.7597 -2.6991 -2.6918 -2.6630 -2.6198 -2.3894 -2.2346 -2.2116 -2.1300 -2.1032 -2.0579 -2.0477 -2.0013 -1.9702 -1.9336 -1.9223 -1.6873 -1.5422 1.2359 1.3511 2.2551 2.2555 2.6218 2.7195 3.7013 3.7048 4.4380 4.4464 4.7859 4.8049 8.3576 8.3596 8.7819 8.8053 10.3827 10.4155 11.1651 11.2345 k = 0.3488 0.2014-0.0000 ( 2990 PWs) bands (ev): -6.9863 -6.9858 -6.7846 -6.7824 -2.8541 -2.8225 -2.7555 -2.6950 -2.6852 -2.6632 -2.6049 -2.3891 -2.2319 -2.2090 -2.1261 -2.0981 -2.0542 -2.0472 -1.9988 -1.9651 -1.9268 -1.9090 -1.6839 -1.5398 1.2264 1.3384 2.1896 2.1943 2.5864 2.6871 3.6710 3.6748 4.3913 4.3993 4.7611 4.7789 8.3923 8.3941 8.7700 8.7915 10.3560 10.3837 11.1834 11.2544 k = 0.3605 0.2081-0.0000 ( 2988 PWs) bands (ev): -6.9746 -6.9740 -6.7822 -6.7800 -2.8526 -2.8227 -2.7515 -2.6923 -2.6788 -2.6624 -2.5900 -2.3893 -2.2294 -2.2070 -2.1219 -2.0939 -2.0504 -2.0468 -1.9965 -1.9611 -1.9184 -1.8942 -1.6810 -1.5383 1.2146 1.3216 2.1259 2.1340 2.5627 2.6634 3.6426 3.6466 4.3448 4.3523 4.7379 4.7545 8.4229 8.4246 8.7582 8.7778 10.3280 10.3513 11.2065 11.2777 k = 0.3721 0.2148-0.0000 ( 2990 PWs) bands (ev): -6.9633 -6.9627 -6.7801 -6.7779 -2.8510 -2.8230 -2.7475 -2.6910 -2.6728 -2.6605 -2.5751 -2.3900 -2.2271 -2.2055 -2.1175 -2.0904 -2.0468 -2.0463 -1.9943 -1.9581 -1.9086 -1.8782 -1.6787 -1.5381 1.2009 1.3017 2.0646 2.0746 2.5497 2.6476 3.6160 3.6203 4.2989 4.3058 4.7163 4.7316 8.4496 8.4512 8.7469 8.7647 10.2996 10.3191 11.2335 11.3035 k = 0.3837 0.2215-0.0000 ( 2990 PWs) bands (ev): -6.9526 -6.9520 -6.7783 -6.7762 -2.8495 -2.8235 -2.7437 -2.6908 -2.6671 -2.6577 -2.5605 -2.3913 -2.2250 -2.2044 -2.1131 -2.0875 -2.0459 -2.0435 -1.9920 -1.9560 -1.8976 -1.8612 -1.6770 -1.5391 1.1863 1.2797 2.0061 2.0168 2.5459 2.6387 3.5915 3.5960 4.2540 4.2604 4.6965 4.7104 8.4726 8.4742 8.7362 8.7523 10.2716 10.2878 11.2635 11.3311 k = 0.3953 0.2283-0.0000 ( 2990 PWs) bands (ev): -6.9426 -6.9419 -6.7768 -6.7748 -2.8479 -2.8241 -2.7400 -2.6916 -2.6619 -2.6545 -2.5462 -2.3933 -2.2230 -2.2038 -2.1086 -2.0851 -2.0454 -2.0407 -1.9895 -1.9546 -1.8855 -1.8435 -1.6761 -1.5416 1.1714 1.2567 1.9508 1.9613 2.5494 2.6355 3.5690 3.5737 4.2107 4.2164 4.6784 4.6910 8.4923 8.4939 8.7265 8.7408 10.2448 10.2582 11.2955 11.3597 k = 0.4070 0.2350-0.0000 ( 2992 PWs) bands (ev): -6.9332 -6.9326 -6.7756 -6.7738 -2.8463 -2.8248 -2.7364 -2.6929 -2.6570 -2.6512 -2.5322 -2.3958 -2.2211 -2.2035 -2.1042 -2.0832 -2.0450 -2.0385 -1.9867 -1.9537 -1.8728 -1.8256 -1.6758 -1.5455 1.1570 1.2336 1.8994 1.9091 2.5586 2.6367 3.5488 3.5535 4.1694 4.1745 4.6621 4.6733 8.5089 8.5104 8.7178 8.7304 10.2196 10.2307 11.3285 11.3885 k = 0.4186 0.2417-0.0000 ( 2988 PWs) bands (ev): -6.9246 -6.9240 -6.7748 -6.7731 -2.8448 -2.8256 -2.7329 -2.6947 -2.6527 -2.6480 -2.5187 -2.3990 -2.2193 -2.2035 -2.1000 -2.0817 -2.0444 -2.0370 -1.9836 -1.9534 -1.8595 -1.8080 -1.6759 -1.5510 1.1437 1.2113 1.8523 1.8608 2.5716 2.6410 3.5308 3.5355 4.1308 4.1352 4.6477 4.6576 8.5227 8.5241 8.7102 8.7211 10.1966 10.2056 11.3617 11.4165 k = 0.4302 0.2484-0.0000 ( 2996 PWs) bands (ev): -6.9169 -6.9164 -6.7741 -6.7726 -2.8432 -2.8266 -2.7295 -2.6966 -2.6488 -2.6451 -2.5057 -2.4029 -2.2176 -2.2038 -2.0961 -2.0805 -2.0438 -2.0361 -1.9804 -1.9535 -1.8459 -1.7914 -1.6759 -1.5581 1.1321 1.1905 1.8101 1.8172 2.5870 2.6472 3.5151 3.5197 4.0954 4.0992 4.6352 4.6437 8.5339 8.5353 8.7038 8.7130 10.1760 10.1833 11.3940 11.4429 k = 0.4419 0.2551-0.0000 ( 2996 PWs) bands (ev): -6.9102 -6.9097 -6.7737 -6.7724 -2.8416 -2.8276 -2.7262 -2.6988 -2.6455 -2.6425 -2.4933 -2.4074 -2.2160 -2.2043 -2.0925 -2.0796 -2.0432 -2.0358 -1.9771 -1.9540 -1.8321 -1.7770 -1.6750 -1.5668 1.1226 1.1715 1.7733 1.7790 2.6034 2.6541 3.5019 3.5062 4.0640 4.0671 4.6247 4.6318 8.5429 8.5441 8.6986 8.7061 10.1582 10.1640 11.4244 11.4666 k = 0.4535 0.2618-0.0000 ( 3000 PWs) bands (ev): -6.9045 -6.9040 -6.7734 -6.7723 -2.8400 -2.8288 -2.7231 -2.7011 -2.6426 -2.6404 -2.4815 -2.4127 -2.2145 -2.2050 -2.0892 -2.0791 -2.0425 -2.0359 -1.9738 -1.9549 -1.8185 -1.7662 -1.6720 -1.5771 1.1155 1.1548 1.7425 1.7468 2.6196 2.6605 3.4912 3.4949 4.0371 4.0395 4.6162 4.6219 8.5499 8.5509 8.6945 8.7005 10.1434 10.1478 11.4520 11.4869 k = 0.4651 0.2685-0.0000 ( 2998 PWs) bands (ev): -6.8999 -6.8996 -6.7733 -6.7724 -2.8385 -2.8300 -2.7200 -2.7035 -2.6404 -2.6387 -2.4704 -2.4187 -2.2130 -2.2058 -2.0864 -2.0789 -2.0416 -2.0363 -1.9706 -1.9561 -1.8053 -1.7604 -1.6657 -1.5887 1.1110 1.1406 1.7180 1.7211 2.6346 2.6655 3.4830 3.4860 4.0154 4.0172 4.6097 4.6140 8.5551 8.5559 8.6916 8.6960 10.1319 10.1351 11.4758 11.5026 k = 0.4767 0.2752-0.0000 ( 3002 PWs) bands (ev): -6.8966 -6.8963 -6.7732 -6.7726 -2.8370 -2.8313 -2.7170 -2.7060 -2.6387 -2.6376 -2.4599 -2.4255 -2.2116 -2.2068 -2.0840 -2.0791 -2.0408 -2.0370 -1.9675 -1.9578 -1.7928 -1.7599 -1.6558 -1.6015 1.1092 1.1290 1.7003 1.7023 2.6475 2.6682 3.4773 3.4794 3.9996 4.0008 4.6053 4.6081 8.5587 8.5593 8.6897 8.6926 10.1236 10.1257 11.4948 11.5131 k = 0.4884 0.2820-0.0000 ( 2998 PWs) bands (ev): -6.8945 -6.8944 -6.7730 -6.7727 -2.8355 -2.8326 -2.7141 -2.7086 -2.6376 -2.6370 -2.4502 -2.4330 -2.2103 -2.2079 -2.0821 -2.0797 -2.0398 -2.0379 -1.9646 -1.9598 -1.7814 -1.7641 -1.6433 -1.6152 1.1101 1.1200 1.6897 1.6907 2.6576 2.6680 3.4741 3.4752 3.9900 3.9906 4.6029 4.6043 8.5609 8.5612 8.6889 8.6904 10.1189 10.1199 11.5085 11.5177 k = 0.5000 0.2887-0.0000 ( 3002 PWs) bands (ev): -6.8938 -6.8938 -6.7729 -6.7729 -2.8340 -2.8340 -2.7113 -2.7113 -2.6370 -2.6370 -2.4412 -2.4412 -2.2090 -2.2090 -2.0807 -2.0807 -2.0388 -2.0388 -1.9621 -1.9621 -1.7715 -1.7715 -1.6294 -1.6294 1.1137 1.1137 1.6865 1.6865 2.6645 2.6645 3.4734 3.4734 3.9869 3.9869 4.6025 4.6025 8.5617 8.5617 8.6891 8.6891 10.1176 10.1176 11.5162 11.5162 k = 0.5000 0.2887-0.0000 ( 3002 PWs) bands (ev): -6.8938 -6.8938 -6.7729 -6.7729 -2.8340 -2.8340 -2.7113 -2.7113 -2.6370 -2.6370 -2.4412 -2.4412 -2.2090 -2.2090 -2.0807 -2.0807 -2.0388 -2.0388 -1.9621 -1.9621 -1.7715 -1.7715 -1.6294 -1.6294 1.1137 1.1137 1.6865 1.6865 2.6645 2.6645 3.4734 3.4734 3.9869 3.9869 4.6025 4.6025 8.5617 8.5617 8.6891 8.6891 10.1176 10.1176 11.5162 11.5162 k = 0.4933 0.3002-0.0000 ( 2998 PWs) bands (ev): -6.8936 -6.8936 -6.7730 -6.7729 -2.8353 -2.8325 -2.7119 -2.7107 -2.6425 -2.6313 -2.4485 -2.4341 -2.2102 -2.2076 -2.0827 -2.0786 -2.0399 -2.0376 -1.9641 -1.9600 -1.7720 -1.7710 -1.6320 -1.6263 1.1136 1.1154 1.6858 1.6874 2.6612 2.6688 3.4666 3.4725 3.9839 3.9882 4.5968 4.5994 8.5657 8.5701 8.6963 8.6966 10.1132 10.1189 11.5144 11.5171 k = 0.4867 0.3118-0.0000 ( 3006 PWs) bands (ev): -6.8930 -6.8929 -6.7730 -6.7728 -2.8364 -2.8308 -2.7124 -2.7101 -2.6476 -2.6254 -2.4559 -2.4273 -2.2111 -2.2061 -2.0845 -2.0763 -2.0408 -2.0362 -1.9662 -1.9581 -1.7722 -1.7702 -1.6341 -1.6227 1.1150 1.1187 1.6854 1.6886 2.6587 2.6742 3.4522 3.4641 3.9789 3.9875 4.5822 4.5874 8.5819 8.5906 8.7178 8.7185 10.1056 10.1168 11.5114 11.5169 k = 0.4800 0.3233-0.0000 ( 3002 PWs) bands (ev): -6.8920 -6.8919 -6.7731 -6.7728 -2.8373 -2.8289 -2.7129 -2.7095 -2.6525 -2.6194 -2.4633 -2.4209 -2.2117 -2.2045 -2.0862 -2.0740 -2.0414 -2.0347 -1.9683 -1.9563 -1.7723 -1.7693 -1.6358 -1.6187 1.1181 1.1236 1.6853 1.6901 2.6570 2.6805 3.4306 3.4488 3.9720 3.9851 4.5592 4.5671 8.6099 8.6229 8.7534 8.7548 10.0951 10.1113 11.5075 11.5159 k = 0.4733 0.3349-0.0000 ( 3006 PWs) bands (ev): -6.8906 -6.8905 -6.7732 -6.7728 -2.8379 -2.8269 -2.7133 -2.7088 -2.6571 -2.6131 -2.4707 -2.4150 -2.2118 -2.2028 -2.0877 -2.0715 -2.0419 -2.0331 -1.9704 -1.9546 -1.7722 -1.7682 -1.6369 -1.6142 1.1227 1.1301 1.6854 1.6917 2.6558 2.6876 3.4022 3.4273 3.9632 3.9808 4.5284 4.5391 8.6489 8.6661 8.8024 8.8048 10.0815 10.1022 11.5025 11.5142 k = 0.4667 0.3464-0.0000 ( 3008 PWs) bands (ev): -6.8888 -6.8886 -6.7733 -6.7729 -2.8383 -2.8248 -2.7136 -2.7082 -2.6614 -2.6068 -2.4778 -2.4097 -2.2116 -2.2011 -2.0891 -2.0689 -2.0422 -2.0315 -1.9724 -1.9531 -1.7719 -1.7669 -1.6377 -1.6093 1.1289 1.1382 1.6857 1.6935 2.6546 2.6954 3.3680 3.4006 3.9524 3.9747 4.4905 4.5043 8.6979 8.7192 8.8641 8.8679 10.0650 10.0893 11.4965 11.5119 k = 0.4600 0.3580-0.0000 ( 3002 PWs) bands (ev): -6.8867 -6.8864 -6.7735 -6.7729 -2.8385 -2.8225 -2.7138 -2.7075 -2.6654 -2.6005 -2.4847 -2.4051 -2.2109 -2.1994 -2.0903 -2.0663 -2.0423 -2.0297 -1.9743 -1.9518 -1.7714 -1.7654 -1.6381 -1.6041 1.1366 1.1479 1.6860 1.6953 2.6531 2.7034 3.3291 3.3699 3.9396 3.9667 4.4465 4.4637 8.7557 8.7811 8.9373 8.9431 10.0457 10.0727 11.4898 11.5094 k = 0.4533 0.3695-0.0000 ( 3004 PWs) bands (ev): -6.8841 -6.8838 -6.7737 -6.7731 -2.8385 -2.8203 -2.7139 -2.7068 -2.6690 -2.5942 -2.4912 -2.4012 -2.2097 -2.1978 -2.0913 -2.0635 -2.0421 -2.0280 -1.9761 -1.9506 -1.7706 -1.7636 -1.6381 -1.5986 1.1458 1.1592 1.6863 1.6971 2.6506 2.7111 3.2870 3.3367 3.9246 3.9569 4.3974 4.4184 8.8211 8.8505 9.0210 9.0295 10.0236 10.0524 11.4827 11.5069 k = 0.4467 0.3811-0.0000 ( 3004 PWs) bands (ev): -6.8812 -6.8809 -6.7740 -6.7732 -2.8382 -2.8180 -2.7137 -2.7061 -2.6724 -2.5882 -2.4971 -2.3980 -2.2081 -2.1963 -2.0921 -2.0607 -2.0418 -2.0263 -1.9777 -1.9497 -1.7695 -1.7615 -1.6378 -1.5928 1.1564 1.1720 1.6865 1.6986 2.6463 2.7175 3.2433 3.3027 3.9074 3.9451 4.3444 4.3694 8.8928 8.9261 9.1139 9.1256 9.9990 10.0284 11.4756 11.5051 k = 0.4400 0.3926-0.0000 ( 3004 PWs) bands (ev): -6.8780 -6.8777 -6.7743 -6.7735 -2.8378 -2.8158 -2.7134 -2.7055 -2.6755 -2.5826 -2.5022 -2.3957 -2.2061 -2.1949 -2.0926 -2.0579 -2.0414 -2.0246 -1.9791 -1.9491 -1.7681 -1.7591 -1.6374 -1.5868 1.1685 1.1864 1.6864 1.6999 2.6393 2.7213 3.2004 3.2697 3.8880 3.9314 4.2885 4.3179 8.9693 9.0066 9.2143 9.2301 9.9721 10.0012 11.4690 11.5044 k = 0.4333 0.4041-0.0000 ( 3012 PWs) bands (ev): -6.8745 -6.8741 -6.7747 -6.7738 -2.8371 -2.8137 -2.7129 -2.7048 -2.6783 -2.5776 -2.5063 -2.3942 -2.2037 -2.1936 -2.0930 -2.0550 -2.0407 -2.0231 -1.9803 -1.9486 -1.7664 -1.7563 -1.6368 -1.5807 1.1820 1.2022 1.6859 1.7006 2.6286 2.7207 3.1609 3.2397 3.8663 3.9156 4.2309 4.2650 9.0493 9.0906 9.3206 9.3413 9.9435 9.9712 11.4638 11.5058 k = 0.4267 0.4157-0.0000 ( 3004 PWs) bands (ev): -6.8707 -6.8703 -6.7753 -6.7743 -2.8363 -2.8118 -2.7121 -2.7041 -2.6808 -2.5736 -2.5091 -2.3934 -2.2011 -2.1925 -2.0930 -2.0521 -2.0399 -2.0217 -1.9811 -1.9484 -1.7643 -1.7533 -1.6361 -1.5746 1.1967 1.2196 1.6848 1.7006 2.6134 2.7134 3.1281 3.2144 3.8423 3.8978 4.1725 4.2117 9.1314 9.1768 9.4308 9.4572 9.9138 9.9391 11.4609 11.5103 k = 0.4200 0.4272-0.0000 ( 3004 PWs) bands (ev): -6.8667 -6.8662 -6.7759 -6.7749 -2.8353 -2.8101 -2.7111 -2.7033 -2.6830 -2.5709 -2.5102 -2.3934 -2.1985 -2.1914 -2.0929 -2.0493 -2.0390 -2.0205 -1.9815 -1.9485 -1.7618 -1.7498 -1.6355 -1.5685 1.2127 1.2383 1.6830 1.6998 2.5930 2.6974 3.1048 3.1953 3.8162 3.8777 4.1146 4.1587 9.2144 9.2636 9.5427 9.5757 9.8836 9.9056 11.4618 11.5192 k = 0.4133 0.4388-0.0000 ( 3008 PWs) bands (ev): -6.8624 -6.8618 -6.7767 -6.7756 -2.8342 -2.8086 -2.7098 -2.7026 -2.6849 -2.5696 -2.5094 -2.3941 -2.1958 -2.1905 -2.0925 -2.0465 -2.0379 -2.0195 -1.9815 -1.9488 -1.7589 -1.7461 -1.6350 -1.5625 1.2297 1.2584 1.6804 1.6980 2.5674 2.6716 3.0928 3.1833 3.7881 3.8552 4.0580 4.1068 9.2968 9.3496 9.6536 9.6941 9.8543 9.8719 11.4681 11.5342 k = 0.4067 0.4503-0.0000 ( 2998 PWs) bands (ev): -6.8580 -6.8573 -6.7777 -6.7765 -2.8329 -2.8075 -2.7082 -2.7019 -2.6866 -2.5698 -2.5068 -2.3955 -2.1932 -2.1897 -2.0919 -2.0439 -2.0367 -2.0188 -1.9811 -1.9493 -1.7556 -1.7419 -1.6347 -1.5566 1.2478 1.2798 1.6767 1.6949 2.5371 2.6371 3.0920 3.1787 3.7585 3.8304 4.0037 4.0565 9.3772 9.4327 9.7597 9.8053 9.8313 9.8403 11.4819 11.5570 k = 0.4000 0.4619-0.0000 ( 2994 PWs) bands (ev): -6.8533 -6.8526 -6.7788 -6.7776 -2.8315 -2.8066 -2.7065 -2.7013 -2.6881 -2.5710 -2.5027 -2.3974 -2.1908 -2.1889 -2.0911 -2.0415 -2.0353 -2.0183 -1.9803 -1.9500 -1.7519 -1.7375 -1.6347 -1.5511 1.2666 1.3024 1.6718 1.6904 2.5032 2.5960 3.1008 3.1811 3.7277 3.8030 3.9526 4.0081 9.4539 9.5095 9.8025 9.8028 9.8674 9.9207 11.5058 11.5900 k = 0.3933 0.4734-0.0000 ( 2994 PWs) bands (ev): -6.8486 -6.8478 -6.7801 -6.7789 -2.8300 -2.8061 -2.7046 -2.7006 -2.6893 -2.5729 -2.4976 -2.3999 -2.1886 -2.1883 -2.0901 -2.0394 -2.0337 -2.0181 -1.9790 -1.9509 -1.7477 -1.7328 -1.6351 -1.5459 1.2860 1.3260 1.6657 1.6844 2.4671 2.5511 3.1173 3.1901 3.6964 3.7731 3.9055 3.9617 9.5242 9.5736 9.7781 9.7921 9.9568 10.0194 11.5427 11.6353 k = 0.3867 0.4850-0.0000 ( 2992 PWs) bands (ev): -6.8437 -6.8429 -6.7817 -6.7804 -2.8284 -2.8060 -2.7025 -2.7000 -2.6903 -2.5751 -2.4918 -2.4029 -2.1877 -2.1868 -2.0890 -2.0377 -2.0319 -2.0182 -1.9775 -1.9519 -1.7431 -1.7279 -1.6359 -1.5412 1.3058 1.3505 1.6582 1.6767 2.4303 2.5048 3.1397 3.2046 3.6653 3.7411 3.8626 3.9174 9.5822 9.6135 9.7620 9.8037 10.0356 10.1046 11.5953 11.6948 k = 0.3800 0.4965-0.0000 ( 2988 PWs) bands (ev): -6.8387 -6.8379 -6.7835 -6.7821 -2.8267 -2.8061 -2.7005 -2.6994 -2.6910 -2.5773 -2.4855 -2.4063 -2.1871 -2.1854 -2.0878 -2.0363 -2.0300 -2.0183 -1.9756 -1.9531 -1.7382 -1.7228 -1.6373 -1.5369 1.3255 1.3758 1.6494 1.6673 2.3943 2.4591 3.1667 3.2241 3.6348 3.7073 3.8241 3.8751 9.6163 9.6238 9.7674 9.8429 10.1004 10.1730 11.6656 11.7693 k = 0.3733 0.5081-0.0000 ( 2988 PWs) bands (ev): -6.8338 -6.8328 -6.7856 -6.7842 -2.8250 -2.8066 -2.6990 -2.6985 -2.6916 -2.5794 -2.4790 -2.4101 -2.1866 -2.1843 -2.0867 -2.0352 -2.0281 -2.0186 -1.9736 -1.9543 -1.7330 -1.7177 -1.6393 -1.5333 1.3450 1.4014 1.6394 1.6561 2.3605 2.4156 3.1972 3.2476 3.6054 3.6724 3.7900 3.8352 9.6168 9.6213 9.7994 9.8975 10.1501 10.2231 11.7539 11.8585 k = 0.3667 0.5196-0.0000 ( 2984 PWs) bands (ev): -6.8288 -6.8278 -6.7880 -6.7865 -2.8232 -2.8073 -2.6986 -2.6967 -2.6920 -2.5812 -2.4724 -2.4143 -2.1861 -2.1835 -2.0856 -2.0342 -2.0263 -2.0189 -1.9715 -1.9556 -1.7276 -1.7126 -1.6419 -1.5302 1.3636 1.4272 1.6283 1.6432 2.3302 2.3756 3.2306 3.2747 3.5770 3.6368 3.7601 3.7979 9.6041 9.6111 9.8439 9.9558 10.1850 10.2548 11.8585 11.9599 k = 0.3600 0.5312-0.0000 ( 2988 PWs) bands (ev): -6.8239 -6.8228 -6.7907 -6.7892 -2.8214 -2.8083 -2.6983 -2.6951 -2.6922 -2.5827 -2.4657 -2.4189 -2.1857 -2.1830 -2.0846 -2.0334 -2.0247 -2.0193 -1.9694 -1.9570 -1.7220 -1.7079 -1.6450 -1.5279 1.3808 1.4526 1.6166 1.6290 2.3044 2.3403 3.2663 3.3046 3.5492 3.6007 3.7349 3.7642 9.5908 9.5973 9.8888 10.0127 10.2066 10.2695 11.9753 12.0687 k = 0.3533 0.5427-0.0000 ( 2998 PWs) bands (ev): -6.8190 -6.8179 -6.7938 -6.7922 -2.8196 -2.8095 -2.6981 -2.6938 -2.6923 -2.5839 -2.4592 -2.4238 -2.1852 -2.1829 -2.0838 -2.0328 -2.0233 -2.0197 -1.9674 -1.9584 -1.7165 -1.7038 -1.6485 -1.5261 1.3959 1.4773 1.6048 1.6137 2.2842 2.3107 3.3038 3.3370 3.5212 3.5639 3.7149 3.7353 9.5793 9.5843 9.9288 10.0656 10.2175 10.2695 12.0974 12.1765 k = 0.3467 0.5543-0.0000 ( 2998 PWs) bands (ev): -6.8142 -6.8131 -6.7972 -6.7956 -2.8177 -2.8109 -2.6980 -2.6929 -2.6923 -2.5846 -2.4527 -2.4290 -2.1847 -2.1829 -2.0832 -2.0324 -2.0222 -2.0201 -1.9655 -1.9598 -1.7112 -1.7009 -1.6518 -1.5250 1.4079 1.5002 1.5940 1.5982 2.2703 2.2876 3.3427 3.3712 3.4917 3.5261 3.7007 3.7126 9.5707 9.5739 9.9606 10.1133 10.2209 10.2574 12.2144 12.2700 k = 0.3400 0.5658-0.0000 ( 3006 PWs) bands (ev): -6.8096 -6.8086 -6.8010 -6.7992 -2.8159 -2.8125 -2.6979 -2.6923 -2.6922 -2.5850 -2.4464 -2.4345 -2.1842 -2.1832 -2.0828 -2.0321 -2.0214 -2.0205 -1.9639 -1.9611 -1.7063 -1.7001 -1.6544 -1.5244 1.4158 1.5190 1.5848 1.5854 2.2633 2.2717 3.3823 3.4065 3.4599 3.4877 3.6927 3.6977 9.5655 9.5671 9.9814 10.1538 10.2207 10.2369 12.3099 12.3327 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -6.8054 -6.8054 -6.8049 -6.8020 -2.8142 -2.8142 -2.6978 -2.6922 -2.6922 -2.5851 -2.4403 -2.4403 -2.1836 -2.1836 -2.0827 -2.0320 -2.0208 -2.0208 -1.9624 -1.9624 -1.7021 -1.7021 -1.6553 -1.5243 1.4186 1.5273 1.5803 1.5803 2.2637 2.2637 3.4148 3.4326 3.4326 3.4582 3.6913 3.6913 9.5643 9.5643 9.9887 10.1760 10.2205 10.2205 12.3553 12.3553 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -6.8054 -6.8054 -6.8049 -6.8020 -2.8142 -2.8142 -2.6978 -2.6922 -2.6922 -2.5851 -2.4403 -2.4403 -2.1836 -2.1836 -2.0827 -2.0320 -2.0208 -2.0208 -1.9624 -1.9624 -1.7021 -1.7021 -1.6553 -1.5243 1.4186 1.5273 1.5803 1.5803 2.2637 2.2637 3.4148 3.4326 3.4326 3.4582 3.6913 3.6913 9.5643 9.5643 9.9887 10.1760 10.2205 10.2205 12.3553 12.3553 k = 0.3265 0.5656-0.0000 ( 3006 PWs) bands (ev): -6.8099 -6.8087 -6.8008 -6.7990 -2.8160 -2.8124 -2.6979 -2.6924 -2.6921 -2.5850 -2.4466 -2.4344 -2.1843 -2.1831 -2.0828 -2.0321 -2.0212 -2.0207 -1.9637 -1.9613 -1.7076 -1.6989 -1.6544 -1.5244 1.4157 1.5197 1.5798 1.5901 2.2638 2.2716 3.3826 3.3999 3.4669 3.4869 3.6940 3.6968 9.5657 9.5672 9.9811 10.1524 10.2227 10.2368 12.3043 12.3386 k = 0.3197 0.5538-0.0000 ( 2996 PWs) bands (ev): -6.8150 -6.8138 -6.7967 -6.7950 -2.8179 -2.8107 -2.6980 -2.6931 -2.6921 -2.5848 -2.4531 -2.4287 -2.1850 -2.1825 -2.0833 -2.0324 -2.0215 -2.0208 -1.9649 -1.9605 -1.7161 -1.6970 -1.6520 -1.5246 1.4075 1.5041 1.5844 1.6072 2.2725 2.2872 3.3403 3.3566 3.5079 3.5253 3.7056 3.7092 9.5717 9.5747 9.9594 10.1098 10.2271 10.2598 12.2101 12.2832 k = 0.3129 0.5420-0.0000 ( 2996 PWs) bands (ev): -6.8207 -6.8194 -6.7929 -6.7911 -2.8200 -2.8091 -2.6983 -2.6941 -2.6920 -2.5846 -2.4600 -2.4233 -2.1858 -2.1820 -2.0839 -2.0330 -2.0219 -2.0213 -1.9660 -1.9600 -1.7270 -1.6968 -1.6489 -1.5246 1.3953 1.4864 1.5937 1.6263 2.2894 2.3099 3.2955 3.3119 3.5487 3.5642 3.7257 3.7286 9.5823 9.5866 9.9265 10.0603 10.2318 10.2784 12.1021 12.1937 k = 0.3061 0.5302-0.0000 ( 2996 PWs) bands (ev): -6.8268 -6.8255 -6.7893 -6.7875 -2.8220 -2.8076 -2.6988 -2.6954 -2.6918 -2.5846 -2.4672 -2.4183 -2.1868 -2.1814 -2.0849 -2.0338 -2.0222 -2.0222 -1.9670 -1.9599 -1.7397 -1.6985 -1.6455 -1.5244 1.3808 1.4688 1.6072 1.6463 2.3141 2.3394 3.2489 3.2663 3.5888 3.6030 3.7536 3.7547 9.5975 9.6031 9.8851 10.0062 10.2347 10.2911 11.9886 12.0882 k = 0.2993 0.5184-0.0000 ( 2992 PWs) bands (ev): -6.8334 -6.8321 -6.7861 -6.7842 -2.8241 -2.8062 -2.6996 -2.6970 -2.6916 -2.5847 -2.4746 -2.4136 -2.1878 -2.1809 -2.0861 -2.0349 -2.0233 -2.0226 -1.9678 -1.9601 -1.7538 -1.7023 -1.6423 -1.5237 1.3653 1.4520 1.6244 1.6676 2.3459 2.3750 3.2013 3.2204 3.6284 3.6415 3.7869 3.7882 9.6173 9.6242 9.8374 9.9483 10.2345 10.2975 11.8738 11.9769 k = 0.2925 0.5067-0.0000 ( 2988 PWs) bands (ev): -6.8405 -6.8392 -6.7833 -6.7813 -2.8263 -2.8049 -2.7006 -2.6988 -2.6912 -2.5852 -2.4824 -2.4092 -2.1888 -2.1804 -2.0876 -2.0363 -2.0248 -2.0231 -1.9686 -1.9607 -1.7692 -1.7081 -1.6394 -1.5226 1.3499 1.4366 1.6452 1.6907 2.3840 2.4161 3.1533 3.1744 3.6679 3.6801 3.8244 3.8282 9.6416 9.6498 9.7847 9.8873 10.2302 10.2978 11.7594 11.8641 k = 0.2857 0.4949-0.0000 ( 2984 PWs) bands (ev): -6.8481 -6.8469 -6.7808 -6.7787 -2.8284 -2.8038 -2.7020 -2.7008 -2.6907 -2.5861 -2.4905 -2.4053 -2.1900 -2.1800 -2.0894 -2.0380 -2.0266 -2.0235 -1.9692 -1.9616 -1.7854 -1.7160 -1.6371 -1.5212 1.3352 1.4231 1.6699 1.7160 2.4275 2.4623 3.1054 3.1288 3.7081 3.7193 3.8662 3.8726 9.6703 9.6797 9.7280 9.8236 10.2215 10.2920 11.6469 11.7517 k = 0.2789 0.4831-0.0000 ( 2988 PWs) bands (ev): -6.8563 -6.8551 -6.7786 -6.7765 -2.8306 -2.8028 -2.7037 -2.7030 -2.6900 -2.5875 -2.4989 -2.4017 -2.1911 -2.1797 -2.0915 -2.0401 -2.0286 -2.0241 -1.9697 -1.9628 -1.8023 -1.7258 -1.6355 -1.5196 1.3219 1.4116 1.6984 1.7443 2.4758 2.5128 3.0581 3.0838 3.7493 3.7595 3.9113 3.9202 9.6681 9.7032 9.7133 9.7583 10.2082 10.2804 11.5370 11.6411 k = 0.2721 0.4713-0.0000 ( 2988 PWs) bands (ev): -6.8649 -6.8638 -6.7769 -6.7748 -2.8328 -2.8020 -2.7058 -2.7054 -2.6892 -2.5896 -2.5077 -2.3986 -2.1924 -2.1796 -2.0937 -2.0426 -2.0308 -2.0248 -1.9701 -1.9643 -1.8198 -1.7371 -1.6346 -1.5179 1.3102 1.4025 1.7309 1.7758 2.5279 2.5673 3.0122 3.0400 3.7919 3.8011 3.9589 3.9701 9.6055 9.6876 9.7400 9.7542 10.1906 10.2633 11.4304 11.5331 k = 0.2653 0.4595-0.0000 ( 2984 PWs) bands (ev): -6.8741 -6.8729 -6.7756 -6.7734 -2.8349 -2.8014 -2.7081 -2.7079 -2.6884 -2.5922 -2.5167 -2.3959 -2.1937 -2.1796 -2.0963 -2.0455 -2.0332 -2.0256 -1.9703 -1.9660 -1.8374 -1.7498 -1.6345 -1.5164 1.3006 1.3957 1.7676 1.8110 2.5828 2.6252 2.9687 2.9977 3.8361 3.8442 4.0084 4.0218 9.5404 9.6176 9.7805 9.7963 10.1688 10.2410 11.3275 11.4282 k = 0.2585 0.4477-0.0000 ( 2988 PWs) bands (ev): -6.8837 -6.8826 -6.7747 -6.7725 -2.8370 -2.8009 -2.7108 -2.7105 -2.6874 -2.5955 -2.5261 -2.3936 -2.1951 -2.1797 -2.0990 -2.0489 -2.0357 -2.0265 -1.9705 -1.9680 -1.8551 -1.7635 -1.6352 -1.5152 1.2930 1.3913 1.8084 1.8501 2.6390 2.6862 2.9289 2.9574 3.8819 3.8889 4.0593 4.0748 9.4731 9.5452 9.8241 9.8429 10.1436 10.2139 11.2288 11.3271 k = 0.2517 0.4360-0.0000 ( 2978 PWs) bands (ev): -6.8938 -6.8928 -6.7743 -6.7719 -2.8391 -2.8006 -2.7139 -2.7133 -2.6863 -2.5996 -2.5358 -2.3917 -2.1966 -2.1802 -2.1020 -2.0528 -2.0383 -2.0276 -1.9707 -1.9702 -1.8725 -1.7779 -1.6367 -1.5145 1.2874 1.3892 1.8536 1.8932 2.6931 2.7498 2.8964 2.9196 3.9291 3.9351 4.1112 4.1286 9.4038 9.4708 9.8695 9.8931 10.1163 10.1824 11.1346 11.2301 k = 0.2449 0.4242-0.0000 ( 2980 PWs) bands (ev): -6.9044 -6.9035 -6.7742 -6.7719 -2.8412 -2.8005 -2.7172 -2.7161 -2.6852 -2.6044 -2.5457 -2.3902 -2.1982 -2.1809 -2.1051 -2.0572 -2.0409 -2.0288 -1.9726 -1.9707 -1.8896 -1.7928 -1.6391 -1.5144 1.2837 1.3891 1.9029 1.9405 2.7356 2.8156 2.8809 2.8850 3.9777 3.9828 4.1639 4.1830 9.3327 9.3947 9.9136 9.9466 10.0900 10.1471 11.0453 11.1375 k = 0.2381 0.4124-0.0000 ( 2984 PWs) bands (ev): -6.9155 -6.9146 -6.7746 -6.7722 -2.8432 -2.8006 -2.7208 -2.7191 -2.6840 -2.6100 -2.5559 -2.3892 -2.2000 -2.1819 -2.1084 -2.0622 -2.0435 -2.0303 -1.9751 -1.9708 -1.9060 -1.8079 -1.6422 -1.5150 1.2817 1.3906 1.9565 1.9920 2.7487 2.8520 2.8852 2.9005 4.0275 4.0318 4.2170 4.2378 9.2596 9.3167 9.9455 10.0019 10.0757 10.1095 10.9611 11.0498 k = 0.2313 0.4006-0.0000 ( 2992 PWs) bands (ev): -6.9269 -6.9261 -6.7754 -6.7730 -2.8452 -2.8009 -2.7248 -2.7222 -2.6827 -2.6163 -2.5663 -2.3885 -2.2021 -2.1833 -2.1118 -2.0676 -2.0461 -2.0319 -1.9777 -1.9708 -1.9216 -1.8229 -1.6461 -1.5162 1.2811 1.3934 2.0143 2.0476 2.7369 2.8255 2.9511 2.9543 4.0783 4.0818 4.2705 4.2928 9.1849 9.2371 9.9446 10.0415 10.0871 10.0939 10.8824 10.9672 k = 0.2245 0.3888-0.0000 ( 2992 PWs) bands (ev): -6.9388 -6.9380 -6.7767 -6.7742 -2.8471 -2.8013 -2.7290 -2.7253 -2.6814 -2.6234 -2.5769 -2.3882 -2.2043 -2.1851 -2.1153 -2.0736 -2.0487 -2.0337 -1.9804 -1.9708 -1.9362 -1.8378 -1.6505 -1.5182 1.2814 1.3967 2.0762 2.1074 2.7187 2.8030 3.0147 3.0255 4.1298 4.1327 4.3240 4.3478 9.1083 9.1557 9.9148 10.0098 10.1357 10.1410 10.8094 10.8899 k = 0.2177 0.3770-0.0000 ( 2992 PWs) bands (ev): -6.9510 -6.9503 -6.7783 -6.7758 -2.8490 -2.8020 -2.7334 -2.7286 -2.6802 -2.6312 -2.5875 -2.3883 -2.2069 -2.1874 -2.1188 -2.0801 -2.0512 -2.0358 -1.9831 -1.9710 -1.9497 -1.8522 -1.6555 -1.5209 1.2821 1.4001 2.1421 2.1712 2.7023 2.7857 3.0835 3.0979 4.1820 4.1842 4.3776 4.4027 9.0301 9.0727 9.8726 9.9616 10.2001 10.2002 10.7424 10.8182 k = 0.2109 0.3653-0.0000 ( 2994 PWs) bands (ev): -6.9636 -6.9629 -6.7803 -6.7779 -2.8509 -2.8028 -2.7381 -2.7320 -2.6790 -2.6396 -2.5982 -2.3887 -2.2097 -2.1902 -2.1223 -2.0870 -2.0536 -2.0380 -1.9860 -1.9714 -1.9616 -1.8660 -1.6610 -1.5242 1.2828 1.4028 2.2119 2.2389 2.6906 2.7743 3.1550 3.1712 4.2346 4.2362 4.4309 4.4572 8.9502 8.9881 9.8243 9.9091 10.2651 10.2680 10.6816 10.7524 k = 0.2041 0.3535-0.0000 ( 2992 PWs) bands (ev): -6.9765 -6.9759 -6.7828 -6.7803 -2.8527 -2.8038 -2.7430 -2.7355 -2.6779 -2.6486 -2.6088 -2.3894 -2.2130 -2.1935 -2.1257 -2.0944 -2.0559 -2.0404 -1.9890 -1.9752 -1.9691 -1.8791 -1.6667 -1.5282 1.2829 1.4040 2.2854 2.3104 2.6854 2.7695 3.2280 3.2452 4.2873 4.2884 4.4840 4.5114 8.8686 8.9019 9.7717 9.8533 10.3336 10.3378 10.6274 10.6925 k = 0.1973 0.3417-0.0000 ( 2992 PWs) bands (ev): -6.9896 -6.9890 -6.7855 -6.7830 -2.8544 -2.8050 -2.7481 -2.7391 -2.6772 -2.6582 -2.6190 -2.3905 -2.2166 -2.1974 -2.1289 -2.1020 -2.0581 -2.0430 -1.9921 -1.9842 -1.9701 -1.8913 -1.6727 -1.5327 1.2820 1.4032 2.3626 2.3857 2.6876 2.7715 3.3019 3.3196 4.3399 4.3406 4.5367 4.5650 8.7854 8.8143 9.7157 9.7944 10.4047 10.4079 10.5813 10.6387 k = 0.1905 0.3299-0.0000 ( 2988 PWs) bands (ev): -7.0030 -7.0024 -6.7886 -6.7861 -2.8561 -2.8063 -2.7534 -2.7428 -2.6771 -2.6682 -2.6285 -2.3918 -2.2207 -2.2019 -2.1320 -2.1099 -2.0602 -2.0458 -1.9953 -1.9929 -1.9703 -1.9026 -1.6788 -1.5378 1.2796 1.3998 2.4433 2.4645 2.6979 2.7810 3.3762 3.3940 4.3923 4.3926 4.5889 4.6180 8.7006 8.7252 9.6566 9.7327 10.4696 10.4776 10.5513 10.5913 k = 0.1837 0.3181-0.0000 ( 2986 PWs) bands (ev): -7.0165 -7.0160 -6.7920 -6.7896 -2.8577 -2.8078 -2.7589 -2.7466 -2.6785 -2.6782 -2.6367 -2.3935 -2.2253 -2.2069 -2.1349 -2.1178 -2.0621 -2.0486 -2.0008 -1.9988 -1.9704 -1.9127 -1.6849 -1.5433 1.2753 1.3936 2.5274 2.5468 2.7167 2.7982 3.4506 3.4683 4.4441 4.4441 4.6405 4.6703 8.6142 8.6348 9.5945 9.6680 10.4792 10.5467 10.5554 10.5807 k = 0.1769 0.3063-0.0000 ( 2990 PWs) bands (ev): -7.0301 -7.0297 -6.7958 -6.7933 -2.8592 -2.8095 -2.7644 -2.7506 -2.6891 -2.6812 -2.6427 -2.3954 -2.2302 -2.2125 -2.1376 -2.1259 -2.0637 -2.0515 -2.0077 -2.0026 -1.9704 -1.9217 -1.6909 -1.5492 1.2689 1.3842 2.6146 2.6323 2.7442 2.8233 3.5247 3.5421 4.4950 4.4954 4.6914 4.7217 8.5263 8.5432 9.5295 9.6004 10.4565 10.5149 10.6275 10.6495 k = 0.1701 0.2946-0.0000 ( 2986 PWs) bands (ev): -7.0439 -7.0435 -6.7997 -6.7973 -2.8607 -2.8113 -2.7700 -2.7546 -2.6999 -2.6866 -2.6462 -2.3975 -2.2355 -2.2184 -2.1400 -2.1339 -2.0652 -2.0544 -2.0139 -2.0067 -1.9704 -1.9295 -1.6968 -1.5555 1.2604 1.3718 2.7049 2.7207 2.7805 2.8562 3.5982 3.6152 4.5449 4.5457 4.7415 4.7722 8.4370 8.4503 9.4616 9.5300 10.4346 10.4866 10.7030 10.7238 k = 0.1633 0.2828-0.0000 ( 2986 PWs) bands (ev): -7.0576 -7.0573 -6.8039 -6.8015 -2.8621 -2.8133 -2.7757 -2.7588 -2.7106 -2.6941 -2.6474 -2.4000 -2.2412 -2.2248 -2.1423 -2.1417 -2.0665 -2.0573 -2.0194 -2.0112 -1.9703 -1.9361 -1.7024 -1.5620 1.2497 1.3564 2.7980 2.8099 2.8273 2.8968 3.6709 3.6874 4.5939 4.5950 4.7907 4.8216 8.3463 8.3564 9.3909 9.4565 10.4178 10.4646 10.7782 10.7990 k = 0.1565 0.2710-0.0000 ( 2988 PWs) bands (ev): -7.0713 -7.0710 -6.8083 -6.8060 -2.8634 -2.8154 -2.7813 -2.7631 -2.7214 -2.7027 -2.6469 -2.4027 -2.2472 -2.2315 -2.1495 -2.1444 -2.0676 -2.0601 -2.0243 -2.0159 -1.9701 -1.9415 -1.7078 -1.5687 1.2371 1.3385 2.8742 2.8934 2.9096 2.9454 3.7424 3.7584 4.6416 4.6432 4.8390 4.8699 8.2542 8.2613 9.3172 9.3801 10.4068 10.4491 10.8524 10.8734 k = 0.1497 0.2592-0.0000 ( 2988 PWs) bands (ev): -7.0850 -7.0847 -6.8128 -6.8106 -2.8646 -2.8176 -2.7870 -2.7676 -2.7319 -2.7120 -2.6454 -2.4058 -2.2533 -2.2383 -2.1570 -2.1464 -2.0685 -2.0628 -2.0288 -2.0208 -1.9698 -1.9459 -1.7128 -1.5756 1.2226 1.3185 2.9340 2.9865 3.0057 3.0062 3.8126 3.8279 4.6879 4.6900 4.8861 4.9169 8.1607 8.1652 9.2406 9.3007 10.4019 10.4400 10.9251 10.9463 k = 0.1429 0.2474-0.0000 ( 2992 PWs) bands (ev): -7.0985 -7.0982 -6.8175 -6.8153 -2.8657 -2.8200 -2.7926 -2.7722 -2.7421 -2.7214 -2.6433 -2.4091 -2.2596 -2.2453 -2.1642 -2.1483 -2.0692 -2.0654 -2.0329 -2.0259 -1.9695 -1.9494 -1.7174 -1.5826 1.2065 1.2967 2.9999 3.0572 3.0976 3.1059 3.8811 3.8957 4.7327 4.7353 4.9321 4.9626 8.0660 8.0680 9.1611 9.2184 10.4031 10.4373 10.9953 11.0166 k = 0.1361 0.2357-0.0000 ( 2986 PWs) bands (ev): -7.1118 -7.1116 -6.8223 -6.8202 -2.8668 -2.8226 -2.7980 -2.7772 -2.7518 -2.7308 -2.6408 -2.4127 -2.2660 -2.2523 -2.1712 -2.1503 -2.0697 -2.0679 -2.0366 -2.0309 -1.9690 -1.9521 -1.7217 -1.5897 1.1892 1.2735 3.0715 3.1253 3.2001 3.2080 3.9478 3.9616 4.7759 4.7791 4.9767 5.0067 7.9699 7.9700 9.0787 9.1331 10.4103 10.4408 11.0623 11.0835 k = 0.1293 0.2239-0.0000 ( 2982 PWs) bands (ev): -7.1249 -7.1247 -6.8271 -6.8251 -2.8677 -2.8253 -2.8033 -2.7825 -2.7609 -2.7400 -2.6379 -2.4167 -2.2723 -2.2592 -2.1778 -2.1522 -2.0702 -2.0701 -2.0401 -2.0358 -1.9684 -1.9541 -1.7255 -1.5969 1.1710 1.2495 3.1484 3.1982 3.3054 3.3124 4.0124 4.0255 4.8173 4.8212 5.0200 5.0493 7.8707 7.8727 8.9935 9.0449 10.4236 10.4505 11.1252 11.1460 k = 0.1224 0.2121-0.0000 ( 2978 PWs) bands (ev): -7.1377 -7.1375 -6.8320 -6.8300 -2.8686 -2.8282 -2.8084 -2.7883 -2.7691 -2.7489 -2.6346 -2.4210 -2.2786 -2.2660 -2.1841 -2.1543 -2.0723 -2.0704 -2.0433 -2.0405 -1.9677 -1.9556 -1.7288 -1.6040 1.1521 1.2250 3.2298 3.2756 3.4127 3.4187 4.0748 4.0872 4.8570 4.8616 5.0617 5.0903 7.7706 7.7742 8.9056 8.9541 10.4426 10.4660 11.1829 11.2030 k = 0.1156 0.2003-0.0000 ( 2972 PWs) bands (ev): -7.1501 -7.1500 -6.8368 -6.8349 -2.8694 -2.8313 -2.8132 -2.7947 -2.7763 -2.7574 -2.6312 -2.4257 -2.2848 -2.2727 -2.1899 -2.1565 -2.0742 -2.0705 -2.0464 -2.0449 -1.9669 -1.9567 -1.7318 -1.6112 1.1330 1.2003 3.3151 3.3570 3.5218 3.5267 4.1350 4.1466 4.8947 4.9002 5.1017 5.1294 7.6694 7.6744 8.8152 8.8606 10.4674 10.4873 11.2343 11.2534 k = 0.1088 0.1885-0.0000 ( 2972 PWs) bands (ev): -7.1621 -7.1620 -6.8416 -6.8398 -2.8700 -2.8346 -2.8177 -2.8015 -2.7825 -2.7654 -2.6274 -2.4307 -2.2907 -2.2791 -2.1952 -2.1588 -2.0759 -2.0706 -2.0493 -2.0489 -1.9660 -1.9573 -1.7343 -1.6183 1.1137 1.1757 3.4036 3.4419 3.6322 3.6360 4.1927 4.2036 4.9306 4.9370 5.1400 5.1667 7.5672 7.5734 8.7226 8.7650 10.4975 10.5138 11.2783 11.2960 k = 0.1020 0.1767-0.0000 ( 2964 PWs) bands (ev): -7.1737 -7.1736 -6.8463 -6.8446 -2.8706 -2.8381 -2.8218 -2.8086 -2.7879 -2.7731 -2.6235 -2.4360 -2.2965 -2.2853 -2.2001 -2.1614 -2.0774 -2.0706 -2.0525 -2.0521 -1.9650 -1.9577 -1.7363 -1.6254 1.0947 1.1515 3.4946 3.5295 3.7435 3.7464 4.2482 4.2585 4.9645 4.9719 5.1765 5.2020 7.4640 7.4711 8.6281 8.6674 10.5326 10.5454 11.3137 11.3295 k = 0.0952 0.1650-0.0000 ( 2964 PWs) bands (ev): -7.1848 -7.1847 -6.8509 -6.8492 -2.8711 -2.8417 -2.8257 -2.8157 -2.7928 -2.7802 -2.6193 -2.4417 -2.3020 -2.2912 -2.2044 -2.1641 -2.0787 -2.0705 -2.0558 -2.0547 -1.9639 -1.9579 -1.7379 -1.6324 1.0761 1.1280 3.5873 3.6192 3.8554 3.8573 4.3016 4.3112 4.9965 5.0051 5.2109 5.2352 7.3597 7.3676 8.5320 8.5683 10.5724 10.5813 11.3397 11.3528 k = 0.0884 0.1532-0.0000 ( 2962 PWs) bands (ev): -7.1953 -7.1952 -6.8553 -6.8538 -2.8714 -2.8454 -2.8292 -2.8226 -2.7972 -2.7868 -2.6149 -2.4477 -2.3071 -2.2969 -2.2082 -2.1671 -2.0798 -2.0704 -2.0586 -2.0572 -1.9628 -1.9579 -1.7391 -1.6394 1.0581 1.1053 3.6810 3.7101 3.9669 3.9679 4.3531 4.3624 5.0265 5.0365 5.2433 5.2662 7.2544 7.2629 8.4350 8.4682 10.6161 10.6211 11.3556 11.3654 k = 0.0816 0.1414-0.0000 ( 2966 PWs) bands (ev): -7.2053 -7.2052 -6.8595 -6.8581 -2.8716 -2.8491 -2.8324 -2.8290 -2.8013 -2.7930 -2.6103 -2.4540 -2.3120 -2.3022 -2.2114 -2.1702 -2.0807 -2.0703 -2.0610 -2.0596 -1.9617 -1.9577 -1.7398 -1.6462 1.0409 1.0837 3.7747 3.8013 4.0769 4.0774 4.4037 4.4129 5.0547 5.0662 5.2735 5.2950 7.1481 7.1571 8.3376 8.3679 10.6631 10.6639 11.3620 11.3678 k = 0.0748 0.1296-0.0000 ( 2962 PWs) bands (ev): -7.2146 -7.2145 -6.8635 -6.8622 -2.8718 -2.8527 -2.8355 -2.8351 -2.8051 -2.7986 -2.6055 -2.4605 -2.3164 -2.3072 -2.2140 -2.1735 -2.0815 -2.0701 -2.0630 -2.0618 -1.9606 -1.9574 -1.7401 -1.6530 1.0247 1.0632 3.8676 3.8918 4.1836 4.1837 4.4548 4.4642 5.0812 5.0944 5.3016 5.3215 7.0408 7.0503 8.2406 8.2680 10.7088 10.7124 11.3603 11.3617 k = 0.0680 0.1178-0.0000 ( 2958 PWs) bands (ev): -7.2232 -7.2232 -6.8673 -6.8661 -2.8719 -2.8561 -2.8406 -2.8383 -2.8086 -2.8036 -2.6004 -2.4673 -2.3205 -2.3118 -2.2161 -2.1770 -2.0820 -2.0700 -2.0646 -2.0640 -1.9595 -1.9570 -1.7399 -1.6596 1.0097 1.0440 3.9585 3.9806 4.2836 4.2837 4.5092 4.5196 5.1060 5.1212 5.3273 5.3456 6.9327 6.9426 8.1449 8.1695 10.7545 10.7629 11.3495 11.3526 k = 0.0612 0.1060-0.0000 ( 2958 PWs) bands (ev): -7.2311 -7.2311 -6.8708 -6.8697 -2.8719 -2.8593 -2.8456 -2.8410 -2.8118 -2.8082 -2.5952 -2.4742 -2.3242 -2.3161 -2.2176 -2.1805 -2.0824 -2.0698 -2.0660 -2.0660 -1.9584 -1.9565 -1.7393 -1.6661 0.9958 1.0263 4.0461 4.0662 4.3717 4.3724 4.5714 4.5835 5.1295 5.1472 5.3507 5.3674 6.8240 6.8341 8.0516 8.0734 10.7998 10.8130 11.3343 11.3418 k = 0.0544 0.0943-0.0000 ( 2952 PWs) bands (ev): -7.2383 -7.2383 -6.8739 -6.8730 -2.8718 -2.8623 -2.8499 -2.8436 -2.8148 -2.8122 -2.5897 -2.4813 -2.3274 -2.3201 -2.2185 -2.1841 -2.0826 -2.0697 -2.0679 -2.0670 -1.9574 -1.9561 -1.7382 -1.6724 0.9833 1.0100 4.1289 4.1471 4.4436 4.4449 4.6453 4.6599 5.1523 5.1729 5.3717 5.3866 6.7149 6.7252 7.9618 7.9809 10.8428 10.8608 11.3193 11.3304 k = 0.0476 0.0825-0.0000 ( 2960 PWs) bands (ev): -7.2447 -7.2447 -6.8768 -6.8760 -2.8718 -2.8650 -2.8536 -2.8460 -2.8175 -2.8157 -2.5840 -2.4885 -2.3303 -2.3237 -2.2190 -2.1877 -2.0827 -2.0699 -2.0695 -2.0678 -1.9565 -1.9556 -1.7368 -1.6785 0.9723 0.9953 4.2052 4.2215 4.5000 4.5017 4.7296 4.7468 5.1753 5.1994 5.3904 5.4034 6.6059 6.6164 7.8770 7.8935 10.8819 10.9039 11.3073 11.3209 k = 0.0408 0.0707-0.0000 ( 2964 PWs) bands (ev): -7.2504 -7.2503 -6.8793 -6.8786 -2.8718 -2.8674 -2.8566 -2.8483 -2.8199 -2.8188 -2.5781 -2.4958 -2.3327 -2.3269 -2.2189 -2.1912 -2.0826 -2.0715 -2.0695 -2.0684 -1.9557 -1.9551 -1.7349 -1.6845 0.9627 0.9823 4.2733 4.2875 4.5459 4.5476 4.8171 4.8372 5.2004 5.2284 5.4068 5.4176 6.4976 6.5082 7.7986 7.8125 10.9154 10.9399 11.3009 11.3152 k = 0.0340 0.0589-0.0000 ( 2976 PWs) bands (ev): -7.2552 -7.2551 -6.8815 -6.8809 -2.8720 -2.8694 -2.8587 -2.8504 -2.8219 -2.8213 -2.5720 -2.5031 -2.3346 -2.3297 -2.2184 -2.1948 -2.0823 -2.0731 -2.0694 -2.0688 -1.9550 -1.9546 -1.7326 -1.6903 0.9548 0.9709 4.3315 4.3434 4.5853 4.5867 4.9000 4.9226 5.2308 5.2626 5.4208 5.4293 6.3912 6.4018 7.7282 7.7397 10.9421 10.9667 11.3015 11.3142 k = 0.0272 0.0471-0.0000 ( 2976 PWs) bands (ev): -7.2591 -7.2591 -6.8832 -6.8828 -2.8724 -2.8711 -2.8600 -2.8524 -2.8236 -2.8233 -2.5658 -2.5104 -2.3361 -2.3321 -2.2175 -2.1982 -2.0820 -2.0745 -2.0694 -2.0691 -1.9544 -1.9542 -1.7299 -1.6958 0.9485 0.9613 4.3785 4.3880 4.6201 4.6211 4.9709 4.9941 5.2710 5.3048 5.4327 5.4385 6.2884 6.2989 7.6676 7.6767 10.9618 10.9840 11.3085 11.3177 k = 0.0204 0.0353-0.0000 ( 2980 PWs) bands (ev): -7.2622 -7.2622 -6.8846 -6.8843 -2.8729 -2.8724 -2.8605 -2.8543 -2.8250 -2.8249 -2.5593 -2.5176 -2.3372 -2.3341 -2.2161 -2.2014 -2.0815 -2.0759 -2.0694 -2.0693 -1.9540 -1.9539 -1.7268 -1.7011 0.9439 0.9534 4.4142 4.4212 4.6501 4.6506 5.0250 5.0452 5.3234 5.3556 5.4427 5.4452 6.1926 6.2025 7.6185 7.6253 10.9753 10.9930 11.3192 11.3242 k = 0.0136 0.0236-0.0000 ( 2975 PWs) bands (ev): -7.2644 -7.2644 -6.8856 -6.8854 -2.8735 -2.8733 -2.8604 -2.8560 -2.8260 -2.8260 -2.5527 -2.5248 -2.3378 -2.3357 -2.2144 -2.2045 -2.0809 -2.0771 -2.0694 -2.0694 -1.9537 -1.9536 -1.7234 -1.7062 0.9410 0.9474 4.4390 4.4436 4.6735 4.6737 5.0613 5.0755 5.3811 5.4086 5.4498 5.4516 6.1098 6.1182 7.5825 7.5870 10.9842 10.9963 11.3297 11.3315 k = 0.0068 0.0118-0.0000 ( 2975 PWs) bands (ev): -7.2657 -7.2657 -6.8862 -6.8860 -2.8739 -2.8738 -2.8597 -2.8575 -2.8266 -2.8266 -2.5459 -2.5320 -2.3379 -2.3369 -2.2124 -2.2074 -2.0801 -2.0782 -2.0694 -2.0694 -1.9535 -1.9535 -1.7196 -1.7109 0.9399 0.9431 4.4538 4.4560 4.6886 4.6886 5.0825 5.0896 5.4263 5.4438 5.4586 5.4623 6.0510 6.0562 7.5607 7.5630 10.9900 10.9961 11.3369 11.3372 k = 0.0000 0.0000 0.0000 ( 2995 PWs) bands (ev): -7.2662 -7.2662 -6.8863 -6.8863 -2.8740 -2.8740 -2.8587 -2.8587 -2.8268 -2.8268 -2.5390 -2.5390 -2.3376 -2.3376 -2.2100 -2.2100 -2.0792 -2.0792 -2.0694 -2.0694 -1.9534 -1.9534 -1.7154 -1.7154 0.9406 0.9406 4.4594 4.4594 4.6938 4.6938 5.0915 5.0915 5.4436 5.4436 5.4716 5.4716 6.0307 6.0307 7.5541 7.5541 10.9938 10.9938 11.3394 11.3394 k = 0.0000 0.0000 0.0000 ( 2995 PWs) bands (ev): -7.2662 -7.2662 -6.8863 -6.8863 -2.8740 -2.8740 -2.8587 -2.8587 -2.8268 -2.8268 -2.5390 -2.5390 -2.3376 -2.3376 -2.2100 -2.2100 -2.0792 -2.0792 -2.0694 -2.0694 -1.9534 -1.9534 -1.7154 -1.7154 0.9406 0.9406 4.4594 4.4594 4.6938 4.6938 5.0915 5.0915 5.4436 5.4436 5.4716 5.4716 6.0307 6.0307 7.5541 7.5541 10.9938 10.9938 11.3394 11.3394 k = 0.0000 0.0000 0.0133 ( 2984 PWs) bands (ev): -7.2657 -7.2657 -6.8867 -6.8867 -2.8740 -2.8740 -2.8585 -2.8585 -2.8269 -2.8269 -2.5395 -2.5395 -2.3375 -2.3375 -2.2100 -2.2100 -2.0792 -2.0792 -2.0693 -2.0693 -1.9536 -1.9536 -1.7169 -1.7169 0.9451 0.9451 4.4602 4.4602 4.6946 4.6946 5.0838 5.0838 5.4264 5.4264 5.4707 5.4707 6.0538 6.0538 7.5549 7.5549 10.9940 10.9940 11.3399 11.3399 k = 0.0000 0.0000 0.0267 ( 2984 PWs) bands (ev): -7.2644 -7.2644 -6.8880 -6.8880 -2.8738 -2.8738 -2.8578 -2.8578 -2.8271 -2.8271 -2.5410 -2.5410 -2.3371 -2.3371 -2.2101 -2.2101 -2.0789 -2.0789 -2.0688 -2.0688 -1.9539 -1.9539 -1.7215 -1.7215 0.9585 0.9585 4.4626 4.4626 4.6971 4.6971 5.0592 5.0592 5.3844 5.3844 5.4677 5.4677 6.1152 6.1152 7.5573 7.5573 10.9947 10.9947 11.3415 11.3415 k = 0.0000 0.0000 0.0400 ( 2978 PWs) bands (ev): -7.2622 -7.2622 -6.8902 -6.8902 -2.8736 -2.8736 -2.8567 -2.8567 -2.8274 -2.8274 -2.5434 -2.5434 -2.3364 -2.3364 -2.2102 -2.2102 -2.0785 -2.0785 -2.0681 -2.0681 -1.9546 -1.9546 -1.7289 -1.7289 0.9806 0.9806 4.4667 4.4667 4.7013 4.7013 5.0140 5.0140 5.3357 5.3357 5.4627 5.4627 6.2002 6.2002 7.5612 7.5612 10.9957 10.9957 11.3443 11.3443 k = 0.0000 0.0000 0.0533 ( 2954 PWs) bands (ev): -7.2591 -7.2591 -6.8932 -6.8932 -2.8733 -2.8733 -2.8551 -2.8551 -2.8279 -2.8279 -2.5468 -2.5468 -2.3355 -2.3355 -2.2104 -2.2104 -2.0779 -2.0779 -2.0672 -2.0672 -1.9555 -1.9555 -1.7390 -1.7390 1.0113 1.0113 4.4724 4.4724 4.7071 4.7071 4.9463 4.9463 5.2930 5.2930 5.4559 5.4559 6.2982 6.2982 7.5667 7.5667 10.9968 10.9968 11.3481 11.3481 k = 0.0000 0.0000 0.0667 ( 2954 PWs) bands (ev): -7.2552 -7.2552 -6.8971 -6.8971 -2.8729 -2.8729 -2.8530 -2.8530 -2.8284 -2.8284 -2.5512 -2.5512 -2.3343 -2.3343 -2.2107 -2.2107 -2.0772 -2.0772 -2.0659 -2.0659 -1.9567 -1.9567 -1.7514 -1.7514 1.0502 1.0502 4.4797 4.4797 4.7145 4.7145 4.8588 4.8588 5.2595 5.2595 5.4471 5.4471 6.4028 6.4028 7.5737 7.5737 10.9978 10.9978 11.3531 11.3531 k = 0.0000 0.0000 0.0800 ( 2954 PWs) bands (ev): -7.2504 -7.2504 -6.9017 -6.9017 -2.8724 -2.8724 -2.8504 -2.8504 -2.8291 -2.8291 -2.5564 -2.5564 -2.3328 -2.3328 -2.2111 -2.2111 -2.0763 -2.0763 -2.0644 -2.0644 -1.9581 -1.9581 -1.7658 -1.7658 1.0968 1.0968 4.4885 4.4885 4.7235 4.7235 4.7573 4.7573 5.2329 5.2329 5.4365 5.4365 6.5105 6.5105 7.5821 7.5821 10.9983 10.9983 11.3594 11.3594 k = 0.0000 0.0000 0.0933 ( 2948 PWs) bands (ev): -7.2448 -7.2448 -6.9072 -6.9072 -2.8718 -2.8718 -2.8474 -2.8474 -2.8300 -2.8300 -2.5625 -2.5625 -2.3310 -2.3310 -2.2116 -2.2116 -2.0752 -2.0752 -2.0626 -2.0626 -1.9597 -1.9597 -1.7819 -1.7819 1.1509 1.1509 4.4989 4.4989 4.6468 4.6468 4.7341 4.7341 5.2101 5.2101 5.4242 5.4242 6.6192 6.6192 7.5918 7.5918 10.9977 10.9977 11.3670 11.3670 k = 0.0000 0.0000 0.1067 ( 2948 PWs) bands (ev): -7.2384 -7.2384 -6.9135 -6.9135 -2.8712 -2.8712 -2.8438 -2.8438 -2.8309 -2.8309 -2.5694 -2.5694 -2.3289 -2.3289 -2.2124 -2.2124 -2.0739 -2.0739 -2.0606 -2.0606 -1.9616 -1.9616 -1.7992 -1.7992 1.2118 1.2118 4.5107 4.5107 4.5306 4.5306 4.7461 4.7461 5.1890 5.1890 5.4101 5.4101 6.7273 6.7273 7.6027 7.6027 10.9954 10.9954 11.3622 11.3622 k = 0.0000 0.0000 0.1200 ( 2948 PWs) bands (ev): -7.2312 -7.2312 -6.9205 -6.9205 -2.8704 -2.8704 -2.8398 -2.8398 -2.8319 -2.8319 -2.5771 -2.5771 -2.3265 -2.3265 -2.2133 -2.2133 -2.0724 -2.0724 -2.0583 -2.0583 -1.9637 -1.9637 -1.8173 -1.8173 1.2792 1.2792 4.4107 4.4107 4.5240 4.5240 4.7597 4.7597 5.1685 5.1685 5.3944 5.3944 6.8337 6.8337 7.6148 7.6148 10.9904 10.9904 11.3307 11.3307 k = 0.0000 0.0000 0.1333 ( 2948 PWs) bands (ev): -7.2234 -7.2234 -6.9282 -6.9282 -2.8696 -2.8696 -2.8352 -2.8352 -2.8330 -2.8330 -2.5855 -2.5855 -2.3239 -2.3239 -2.2146 -2.2146 -2.0708 -2.0708 -2.0559 -2.0559 -1.9660 -1.9660 -1.8360 -1.8360 1.3526 1.3526 4.2885 4.2885 4.5387 4.5387 4.7747 4.7747 5.1478 5.1478 5.3772 5.3772 6.9375 6.9375 7.6277 7.6277 10.9824 10.9824 11.3057 11.3057 k = 0.0000 0.0000 0.1467 ( 2942 PWs) bands (ev): -7.2148 -7.2148 -6.9366 -6.9366 -2.8687 -2.8687 -2.8342 -2.8342 -2.8302 -2.8302 -2.5946 -2.5946 -2.3209 -2.3209 -2.2162 -2.2162 -2.0689 -2.0689 -2.0532 -2.0532 -1.9685 -1.9685 -1.8548 -1.8548 1.4316 1.4316 4.1646 4.1646 4.5548 4.5548 4.7910 4.7910 5.1266 5.1266 5.3586 5.3586 7.0376 7.0376 7.6414 7.6414 10.9713 10.9713 11.2886 11.2886 k = 0.0000 0.0000 0.1600 ( 2942 PWs) bands (ev): -7.2056 -7.2056 -6.9457 -6.9457 -2.8677 -2.8677 -2.8355 -2.8355 -2.8246 -2.8246 -2.6043 -2.6043 -2.3176 -2.3176 -2.2181 -2.2181 -2.0668 -2.0668 -2.0503 -2.0503 -1.9712 -1.9712 -1.8734 -1.8734 1.5156 1.5156 4.0398 4.0398 4.5722 4.5722 4.8087 4.8087 5.1047 5.1047 5.3386 5.3386 7.1334 7.1334 7.6557 7.6557 10.9582 10.9582 11.2799 11.2799 k = 0.0000 0.0000 0.1733 ( 2942 PWs) bands (ev): -7.1957 -7.1957 -6.9554 -6.9554 -2.8666 -2.8666 -2.8369 -2.8369 -2.8184 -2.8184 -2.6145 -2.6145 -2.3141 -2.3141 -2.2204 -2.2204 -2.0645 -2.0645 -2.0472 -2.0472 -1.9741 -1.9741 -1.8916 -1.8916 1.6044 1.6044 3.9143 3.9143 4.5907 4.5907 4.8276 4.8276 5.0821 5.0821 5.3174 5.3174 7.2241 7.2241 7.6702 7.6702 10.9452 10.9452 11.2790 11.2790 k = 0.0000 0.0000 0.1867 ( 2960 PWs) bands (ev): -7.1853 -7.1853 -6.9656 -6.9656 -2.8655 -2.8655 -2.8383 -2.8383 -2.8118 -2.8118 -2.6252 -2.6252 -2.3102 -2.3102 -2.2232 -2.2232 -2.0619 -2.0619 -2.0440 -2.0440 -1.9772 -1.9772 -1.9091 -1.9091 1.6975 1.6975 3.7885 3.7885 4.6105 4.6105 4.8476 4.8476 5.0587 5.0587 5.2951 5.2951 7.3088 7.3088 7.6846 7.6846 10.9344 10.9344 11.2849 11.2849 k = 0.0000 0.0000 0.2000 ( 2972 PWs) bands (ev): -7.1744 -7.1744 -6.9764 -6.9764 -2.8643 -2.8643 -2.8398 -2.8398 -2.8045 -2.8045 -2.6363 -2.6363 -2.3060 -2.3060 -2.2263 -2.2263 -2.0589 -2.0589 -2.0406 -2.0406 -1.9804 -1.9804 -1.9257 -1.9257 1.7945 1.7945 3.6627 3.6627 4.6313 4.6313 4.8688 4.8688 5.0345 5.0345 5.2719 5.2719 7.3868 7.3868 7.6986 7.6986 10.9284 10.9284 11.2965 11.2965 k = 0.0000 0.0000 0.2133 ( 2960 PWs) bands (ev): -7.1630 -7.1630 -6.9877 -6.9877 -2.8630 -2.8630 -2.8413 -2.8413 -2.7968 -2.7968 -2.6476 -2.6476 -2.3016 -2.3016 -2.2299 -2.2299 -2.0557 -2.0557 -2.0371 -2.0371 -1.9838 -1.9838 -1.9413 -1.9413 1.8952 1.8952 3.5370 3.5370 4.6532 4.6532 4.8909 4.8909 5.0098 5.0098 5.2478 5.2478 7.4577 7.4577 7.7118 7.7118 10.9291 10.9291 11.3127 11.3127 k = 0.0000 0.0000 0.2267 ( 2960 PWs) bands (ev): -7.1512 -7.1512 -6.9994 -6.9994 -2.8617 -2.8617 -2.8429 -2.8429 -2.7885 -2.7885 -2.6593 -2.6593 -2.2969 -2.2969 -2.2339 -2.2339 -2.0521 -2.0521 -2.0334 -2.0334 -1.9873 -1.9873 -1.9559 -1.9559 1.9991 1.9991 3.4117 3.4117 4.6759 4.6759 4.9139 4.9139 4.9844 4.9844 5.2229 5.2229 7.5207 7.5207 7.7236 7.7236 10.9380 10.9380 11.3328 11.3328 k = 0.0000 0.0000 0.2400 ( 2960 PWs) bands (ev): -7.1391 -7.1391 -7.0114 -7.0114 -2.8603 -2.8603 -2.8445 -2.8445 -2.7797 -2.7797 -2.6710 -2.6710 -2.2919 -2.2919 -2.2384 -2.2384 -2.0481 -2.0481 -2.0297 -2.0297 -1.9909 -1.9909 -1.9692 -1.9692 2.1060 2.1060 3.2869 3.2869 4.6995 4.6995 4.9378 4.9378 4.9586 4.9586 5.1975 5.1975 7.5757 7.5757 7.7335 7.7335 10.9561 10.9561 11.3563 11.3563 k = 0.0000 0.0000 0.2533 ( 2966 PWs) bands (ev): -7.1266 -7.1266 -7.0238 -7.0238 -2.8588 -2.8588 -2.8461 -2.8461 -2.7705 -2.7705 -2.6828 -2.6828 -2.2867 -2.2867 -2.2431 -2.2431 -2.0436 -2.0436 -2.0259 -2.0259 -1.9947 -1.9947 -1.9815 -1.9815 2.2157 2.2157 3.1627 3.1627 4.7238 4.7238 4.9325 4.9325 4.9624 4.9624 5.1716 5.1716 7.6225 7.6225 7.7409 7.7409 10.9841 10.9841 11.3826 11.3826 k = 0.0000 0.0000 0.2666 ( 2966 PWs) bands (ev): -7.1140 -7.1140 -7.0364 -7.0364 -2.8573 -2.8573 -2.8478 -2.8478 -2.7607 -2.7607 -2.6946 -2.6946 -2.2813 -2.2813 -2.2482 -2.2482 -2.0386 -2.0386 -2.0220 -2.0220 -1.9985 -1.9985 -1.9925 -1.9925 2.3278 2.3278 3.0395 3.0395 4.7488 4.7488 4.9061 4.9061 4.9876 4.9876 5.1453 5.1453 7.6610 7.6610 7.7451 7.7451 11.0223 11.0223 11.4117 11.4117 k = 0.0000 0.0000 0.2800 ( 2966 PWs) bands (ev): -7.1011 -7.1011 -7.0492 -7.0492 -2.8558 -2.8558 -2.8494 -2.8494 -2.7505 -2.7505 -2.7062 -2.7062 -2.2758 -2.2758 -2.2535 -2.2535 -2.0329 -2.0329 -2.0181 -2.0181 -2.0025 -2.0025 -2.0023 -2.0023 2.4421 2.4421 2.9172 2.9172 4.7743 4.7743 4.8795 4.8795 5.0133 5.0133 5.1188 5.1188 7.6917 7.6917 7.7453 7.7453 11.0707 11.0707 11.3538 11.3538 k = 0.0000 0.0000 0.2933 ( 2978 PWs) bands (ev): -7.0881 -7.0881 -7.0621 -7.0621 -2.8542 -2.8542 -2.8510 -2.8510 -2.7399 -2.7399 -2.7177 -2.7177 -2.2702 -2.2702 -2.2590 -2.2590 -2.0266 -2.0266 -2.0141 -2.0141 -2.0115 -2.0115 -2.0062 -2.0062 2.5584 2.5584 2.7962 2.7962 4.8002 4.8002 4.8530 4.8530 5.0394 5.0394 5.0923 5.0923 7.7148 7.7148 7.7409 7.7409 11.1288 11.1288 11.2714 11.2714 k = 0.0000 0.0000 0.3066 ( 2978 PWs) bands (ev): -7.0751 -7.0751 -7.0751 -7.0751 -2.8526 -2.8526 -2.8526 -2.8526 -2.7290 -2.7290 -2.7290 -2.7290 -2.2646 -2.2646 -2.2646 -2.2646 -2.0194 -2.0194 -2.0194 -2.0194 -2.0102 -2.0102 -2.0102 -2.0102 2.6765 2.6765 2.6765 2.6765 4.8265 4.8265 4.8265 4.8265 5.0657 5.0657 5.0657 5.0657 7.7310 7.7310 7.7310 7.7310 11.1960 11.1960 11.1960 11.1960 k = 0.0000 0.0000 0.3066 ( 2978 PWs) bands (ev): -7.0751 -7.0751 -7.0751 -7.0751 -2.8526 -2.8526 -2.8526 -2.8526 -2.7290 -2.7290 -2.7290 -2.7290 -2.2646 -2.2646 -2.2646 -2.2646 -2.0194 -2.0194 -2.0194 -2.0194 -2.0102 -2.0102 -2.0102 -2.0102 2.6765 2.6765 2.6765 2.6765 4.8265 4.8265 4.8265 4.8265 5.0657 5.0657 5.0657 5.0657 7.7310 7.7310 7.7310 7.7310 11.1960 11.1960 11.1960 11.1960 k = 0.0116 0.0067 0.3066 ( 2970 PWs) bands (ev): -7.0748 -7.0748 -7.0748 -7.0748 -2.8525 -2.8525 -2.8525 -2.8525 -2.7322 -2.7322 -2.7256 -2.7256 -2.2653 -2.2653 -2.2634 -2.2634 -2.0221 -2.0221 -2.0175 -2.0175 -2.0098 -2.0098 -2.0096 -2.0096 2.6750 2.6750 2.6771 2.6771 4.8220 4.8220 4.8241 4.8241 5.0618 5.0618 5.0618 5.0618 7.7369 7.7369 7.7384 7.7384 11.1827 11.1827 11.1860 11.1860 k = 0.0233 0.0134 0.3066 ( 2970 PWs) bands (ev): -7.0739 -7.0739 -7.0738 -7.0738 -2.8519 -2.8519 -2.8519 -2.8519 -2.7352 -2.7352 -2.7220 -2.7220 -2.2657 -2.2657 -2.2619 -2.2619 -2.0250 -2.0250 -2.0166 -2.0166 -2.0091 -2.0091 -2.0077 -2.0077 2.6724 2.6724 2.6767 2.6767 4.8104 4.8104 4.8147 4.8147 5.0505 5.0505 5.0505 5.0505 7.7559 7.7559 7.7589 7.7589 11.1496 11.1496 11.1553 11.1553 k = 0.0349 0.0201 0.3066 ( 2964 PWs) bands (ev): -7.0722 -7.0722 -7.0721 -7.0721 -2.8511 -2.8511 -2.8510 -2.8510 -2.7379 -2.7379 -2.7182 -2.7181 -2.2655 -2.2655 -2.2599 -2.2599 -2.0279 -2.0279 -2.0165 -2.0165 -2.0080 -2.0080 -2.0048 -2.0048 2.6688 2.6688 2.6753 2.6753 4.7915 4.7915 4.7979 4.7979 5.0327 5.0327 5.0327 5.0327 7.7873 7.7873 7.7918 7.7918 11.1023 11.1023 11.1096 11.1096 k = 0.0465 0.0269 0.3066 ( 2968 PWs) bands (ev): -7.0700 -7.0700 -7.0698 -7.0698 -2.8499 -2.8499 -2.8497 -2.8497 -2.7405 -2.7405 -2.7142 -2.7142 -2.2649 -2.2649 -2.2576 -2.2576 -2.0307 -2.0307 -2.0169 -2.0169 -2.0068 -2.0068 -2.0013 -2.0013 2.6641 2.6641 2.6727 2.6727 4.7648 4.7648 4.7735 4.7735 5.0100 5.0100 5.0101 5.0101 7.8300 7.8300 7.8360 7.8360 11.0459 11.0459 11.0542 11.0542 k = 0.0581 0.0336 0.3066 ( 2972 PWs) bands (ev): -7.0671 -7.0671 -7.0669 -7.0669 -2.8484 -2.8484 -2.8480 -2.8480 -2.7428 -2.7428 -2.7100 -2.7100 -2.2639 -2.2639 -2.2550 -2.2550 -2.0334 -2.0334 -2.0173 -2.0173 -2.0055 -2.0055 -1.9974 -1.9974 2.6580 2.6580 2.6688 2.6688 4.7303 4.7303 4.7410 4.7410 4.9840 4.9840 4.9840 4.9840 7.8825 7.8825 7.8901 7.8901 10.9839 10.9839 10.9929 10.9929 k = 0.0698 0.0403 0.3066 ( 2966 PWs) bands (ev): -7.0636 -7.0636 -7.0634 -7.0634 -2.8467 -2.8467 -2.8460 -2.8460 -2.7448 -2.7448 -2.7056 -2.7056 -2.2623 -2.2623 -2.2521 -2.2521 -2.0360 -2.0360 -2.0177 -2.0177 -2.0040 -2.0040 -1.9933 -1.9933 2.6505 2.6505 2.6635 2.6635 4.6880 4.6880 4.7007 4.7007 4.9560 4.9560 4.9562 4.9562 7.9432 7.9432 7.9526 7.9526 10.9185 10.9185 10.9281 10.9281 k = 0.0814 0.0470 0.3066 ( 2970 PWs) bands (ev): -7.0595 -7.0595 -7.0593 -7.0593 -2.8447 -2.8447 -2.8436 -2.8436 -2.7465 -2.7465 -2.7011 -2.7011 -2.2603 -2.2603 -2.2489 -2.2489 -2.0385 -2.0385 -2.0180 -2.0180 -2.0023 -2.0023 -1.9889 -1.9889 2.6412 2.6412 2.6565 2.6565 4.6388 4.6388 4.6534 4.6534 4.9269 4.9269 4.9274 4.9274 8.0105 8.0105 8.0216 8.0216 10.8516 10.8516 10.8618 10.8618 k = 0.0930 0.0537 0.3066 ( 2974 PWs) bands (ev): -7.0549 -7.0549 -7.0546 -7.0546 -2.8424 -2.8424 -2.8409 -2.8409 -2.7479 -2.7479 -2.6964 -2.6964 -2.2578 -2.2578 -2.2454 -2.2454 -2.0408 -2.0408 -2.0183 -2.0183 -2.0005 -2.0005 -1.9844 -1.9844 2.6299 2.6299 2.6475 2.6475 4.5839 4.5839 4.6002 4.6002 4.8971 4.8971 4.8980 4.8980 8.0826 8.0826 8.0956 8.0956 10.7847 10.7847 10.7954 10.7954 k = 0.1047 0.0604 0.3066 ( 2980 PWs) bands (ev): -7.0496 -7.0496 -7.0493 -7.0493 -2.8400 -2.8400 -2.8379 -2.8379 -2.7490 -2.7490 -2.6915 -2.6915 -2.2548 -2.2548 -2.2417 -2.2417 -2.0429 -2.0429 -2.0184 -2.0184 -1.9985 -1.9985 -1.9797 -1.9797 2.6163 2.6163 2.6362 2.6362 4.5249 4.5249 4.5428 4.5428 4.8666 4.8666 4.8682 4.8682 8.1577 8.1577 8.1727 8.1727 10.7190 10.7190 10.7301 10.7301 k = 0.1163 0.0671 0.3066 ( 2982 PWs) bands (ev): -7.0439 -7.0439 -7.0435 -7.0435 -2.8374 -2.8374 -2.8346 -2.8346 -2.7496 -2.7496 -2.6865 -2.6865 -2.2514 -2.2514 -2.2378 -2.2378 -2.0449 -2.0449 -2.0185 -2.0185 -1.9963 -1.9963 -1.9747 -1.9747 2.6000 2.6000 2.6223 2.6223 4.4632 4.4632 4.4827 4.4827 4.8356 4.8356 4.8377 4.8377 8.2342 8.2342 8.2512 8.2512 10.6556 10.6556 10.6673 10.6673 k = 0.1279 0.0738 0.3066 ( 2982 PWs) bands (ev): -7.0377 -7.0377 -7.0373 -7.0373 -2.8346 -2.8346 -2.8311 -2.8311 -2.7499 -2.7499 -2.6812 -2.6812 -2.2475 -2.2475 -2.2338 -2.2338 -2.0466 -2.0466 -2.0183 -2.0183 -1.9940 -1.9940 -1.9695 -1.9695 2.5807 2.5807 2.6053 2.6053 4.4005 4.4005 4.4215 4.4215 4.8038 4.8038 4.8066 4.8066 8.3101 8.3101 8.3293 8.3293 10.5956 10.5956 10.6078 10.6078 k = 0.1395 0.0806 0.3066 ( 2990 PWs) bands (ev): -7.0310 -7.0310 -7.0305 -7.0305 -2.8317 -2.8317 -2.8275 -2.8275 -2.7496 -2.7496 -2.6758 -2.6758 -2.2432 -2.2432 -2.2297 -2.2297 -2.0482 -2.0482 -2.0181 -2.0181 -1.9913 -1.9913 -1.9641 -1.9641 2.5580 2.5580 2.5848 2.5848 4.3382 4.3382 4.3607 4.3607 4.7713 4.7713 4.7746 4.7746 8.3839 8.3839 8.4052 8.4052 10.5402 10.5402 10.5528 10.5528 k = 0.1512 0.0873 0.3066 ( 2988 PWs) bands (ev): -7.0238 -7.0238 -7.0234 -7.0234 -2.8288 -2.8288 -2.8238 -2.8238 -2.7488 -2.7488 -2.6703 -2.6703 -2.2385 -2.2385 -2.2255 -2.2255 -2.0495 -2.0495 -2.0177 -2.0177 -1.9884 -1.9884 -1.9585 -1.9585 2.5316 2.5316 2.5606 2.5606 4.2775 4.2775 4.3014 4.3014 4.7381 4.7381 4.7420 4.7420 8.4536 8.4536 8.4771 8.4771 10.4904 10.4904 10.5033 10.5033 k = 0.1628 0.0940 0.3066 ( 2992 PWs) bands (ev): -7.0163 -7.0163 -7.0158 -7.0158 -2.8258 -2.8258 -2.8201 -2.8201 -2.7474 -2.7474 -2.6645 -2.6645 -2.2334 -2.2334 -2.2212 -2.2212 -2.0506 -2.0506 -2.0170 -2.0170 -1.9852 -1.9852 -1.9525 -1.9525 2.5012 2.5012 2.5321 2.5321 4.2195 4.2195 4.2448 4.2448 4.7043 4.7043 4.7085 4.7085 8.5177 8.5177 8.5432 8.5432 10.4471 10.4471 10.4601 10.4601 k = 0.1744 0.1007 0.3066 ( 2988 PWs) bands (ev): -7.0084 -7.0084 -7.0079 -7.0079 -2.8228 -2.8228 -2.8165 -2.8165 -2.7452 -2.7452 -2.6587 -2.6587 -2.2279 -2.2279 -2.2170 -2.2170 -2.0515 -2.0515 -2.0163 -2.0163 -1.9817 -1.9817 -1.9463 -1.9463 2.4664 2.4664 2.4991 2.4991 4.1651 4.1651 4.1916 4.1916 4.6698 4.6698 4.6745 4.6745 8.5745 8.5745 8.6019 8.6019 10.4112 10.4112 10.4239 10.4239 k = 0.1860 0.1074 0.3066 ( 2992 PWs) bands (ev): -7.0003 -7.0003 -6.9997 -6.9997 -2.8197 -2.8197 -2.8131 -2.8131 -2.7423 -2.7423 -2.6526 -2.6526 -2.2222 -2.2222 -2.2128 -2.2128 -2.0521 -2.0521 -2.0153 -2.0153 -1.9777 -1.9777 -1.9397 -1.9397 2.4272 2.4272 2.4614 2.4614 4.1151 4.1151 4.1426 4.1426 4.6349 4.6349 4.6399 4.6399 8.6227 8.6227 8.6515 8.6515 10.3832 10.3832 10.3952 10.3952 k = 0.1977 0.1141 0.3066 ( 2984 PWs) bands (ev): -6.9918 -6.9918 -6.9912 -6.9912 -2.8168 -2.8168 -2.8099 -2.8099 -2.7385 -2.7385 -2.6465 -2.6465 -2.2163 -2.2163 -2.2086 -2.2086 -2.0524 -2.0524 -2.0141 -2.0141 -1.9733 -1.9733 -1.9328 -1.9328 2.3835 2.3835 2.4189 2.4189 4.0701 4.0701 4.0984 4.0984 4.5997 4.5997 4.6050 4.6050 8.6613 8.6613 8.6911 8.6911 10.3633 10.3633 10.3741 10.3741 k = 0.2093 0.1208 0.3066 ( 2980 PWs) bands (ev): -6.9831 -6.9831 -6.9825 -6.9825 -2.8139 -2.8139 -2.8072 -2.8072 -2.7339 -2.7339 -2.6402 -2.6402 -2.2103 -2.2103 -2.2046 -2.2046 -2.0523 -2.0523 -2.0128 -2.0128 -1.9685 -1.9685 -1.9255 -1.9255 2.3353 2.3353 2.3716 2.3716 4.0303 4.0303 4.0591 4.0591 4.5643 4.5643 4.5698 4.5698 8.6896 8.6896 8.7200 8.7200 10.3510 10.3510 10.3601 10.3601 k = 0.2209 0.1276 0.3066 ( 2976 PWs) bands (ev): -6.9743 -6.9743 -6.9737 -6.9737 -2.8111 -2.8111 -2.8047 -2.8047 -2.7284 -2.7284 -2.6338 -2.6338 -2.2042 -2.2042 -2.2008 -2.2008 -2.0519 -2.0519 -2.0112 -2.0112 -1.9630 -1.9630 -1.9178 -1.9178 2.2829 2.2829 2.3198 2.3198 3.9958 3.9958 4.0249 4.0249 4.5289 4.5289 4.5346 4.5346 8.7077 8.7077 8.7381 8.7381 10.3455 10.3455 10.3524 10.3524 k = 0.2326 0.1343 0.3066 ( 2978 PWs) bands (ev): -6.9653 -6.9653 -6.9647 -6.9647 -2.8084 -2.8084 -2.8026 -2.8026 -2.7221 -2.7221 -2.6273 -2.6273 -2.1982 -2.1982 -2.1971 -2.1971 -2.0512 -2.0512 -2.0096 -2.0096 -1.9569 -1.9569 -1.9096 -1.9096 2.2267 2.2267 2.2638 2.2638 3.9666 3.9666 3.9957 3.9957 4.4937 4.4937 4.4994 4.4994 8.7160 8.7160 8.7459 8.7459 10.3453 10.3453 10.3497 10.3497 k = 0.2442 0.1410 0.3066 ( 2974 PWs) bands (ev): -6.9562 -6.9562 -6.9556 -6.9556 -2.8058 -2.8058 -2.8008 -2.8008 -2.7151 -2.7151 -2.6208 -2.6208 -2.1936 -2.1936 -2.1923 -2.1923 -2.0501 -2.0501 -2.0077 -2.0077 -1.9502 -1.9502 -1.9010 -1.9010 2.1671 2.1671 2.2041 2.2041 3.9426 3.9426 3.9714 3.9714 4.4588 4.4588 4.4646 4.4646 8.7154 8.7154 8.7443 8.7443 10.3487 10.3487 10.3505 10.3505 k = 0.2558 0.1477 0.3066 ( 2976 PWs) bands (ev): -6.9472 -6.9472 -6.9465 -6.9465 -2.8034 -2.8034 -2.7993 -2.7993 -2.7075 -2.7075 -2.6143 -2.6143 -2.1903 -2.1903 -2.1867 -2.1867 -2.0486 -2.0486 -2.0058 -2.0058 -1.9427 -1.9427 -1.8919 -1.8919 2.1046 2.1046 2.1412 2.1412 3.9232 3.9232 3.9516 3.9516 4.4245 4.4245 4.4301 4.4301 8.7070 8.7070 8.7347 8.7347 10.3530 10.3530 10.3539 10.3539 k = 0.2674 0.1544 0.3066 ( 2980 PWs) bands (ev): -6.9381 -6.9381 -6.9374 -6.9374 -2.8011 -2.8011 -2.7980 -2.7980 -2.6994 -2.6994 -2.6079 -2.6079 -2.1873 -2.1873 -2.1814 -2.1814 -2.0467 -2.0467 -2.0038 -2.0038 -1.9344 -1.9344 -1.8823 -1.8823 2.0398 2.0398 2.0757 2.0757 3.9083 3.9083 3.9359 3.9359 4.3908 4.3908 4.3963 4.3963 8.6922 8.6922 8.7184 8.7184 10.3559 10.3559 10.3591 10.3591 k = 0.2791 0.1611 0.3066 ( 2980 PWs) bands (ev): -6.9291 -6.9291 -6.9284 -6.9284 -2.7990 -2.7990 -2.7968 -2.7968 -2.6908 -2.6908 -2.6015 -2.6015 -2.1844 -2.1844 -2.1765 -2.1765 -2.0445 -2.0445 -2.0017 -2.0017 -1.9252 -1.9252 -1.8723 -1.8723 1.9732 1.9732 2.0083 2.0083 3.8971 3.8971 3.9240 3.9240 4.3579 4.3579 4.3632 4.3632 8.6722 8.6722 8.6969 8.6969 10.3579 10.3579 10.3632 10.3632 k = 0.2907 0.1678 0.3066 ( 2984 PWs) bands (ev): -6.9202 -6.9202 -6.9195 -6.9195 -2.7971 -2.7971 -2.7958 -2.7958 -2.6818 -2.6818 -2.5952 -2.5952 -2.1818 -2.1818 -2.1721 -2.1721 -2.0419 -2.0419 -1.9996 -1.9996 -1.9152 -1.9152 -1.8618 -1.8618 1.9057 1.9057 1.9396 1.9396 3.8894 3.8894 3.9154 3.9154 4.3261 4.3261 4.3311 4.3311 8.6483 8.6483 8.6714 8.6714 10.3581 10.3581 10.3650 10.3650 k = 0.3023 0.1745 0.3066 ( 2994 PWs) bands (ev): -6.9114 -6.9114 -6.9107 -6.9107 -2.7953 -2.7953 -2.7949 -2.7949 -2.6727 -2.6727 -2.5891 -2.5891 -2.1794 -2.1794 -2.1681 -2.1681 -2.0390 -2.0390 -1.9976 -1.9976 -1.9043 -1.9043 -1.8509 -1.8509 1.8377 1.8377 1.8704 1.8704 3.8845 3.8845 3.9095 3.9095 4.2954 4.2954 4.3002 4.3002 8.6216 8.6216 8.6430 8.6430 10.3559 10.3559 10.3641 10.3641 k = 0.3140 0.1813 0.3066 ( 2994 PWs) bands (ev): -6.9029 -6.9029 -6.9022 -6.9022 -2.7941 -2.7941 -2.7937 -2.7937 -2.6633 -2.6633 -2.5831 -2.5831 -2.1771 -2.1771 -2.1647 -2.1647 -2.0359 -2.0359 -1.9956 -1.9956 -1.8926 -1.8926 -1.8396 -1.8396 1.7698 1.7698 1.8012 1.8012 3.8821 3.8821 3.9060 3.9060 4.2661 4.2661 4.2705 4.2705 8.5930 8.5930 8.6128 8.6128 10.3513 10.3513 10.3603 10.3603 k = 0.3256 0.1880 0.3066 ( 3002 PWs) bands (ev): -6.8946 -6.8946 -6.8939 -6.8939 -2.7934 -2.7934 -2.7923 -2.7923 -2.6539 -2.6539 -2.5775 -2.5775 -2.1751 -2.1751 -2.1618 -2.1618 -2.0326 -2.0326 -1.9937 -1.9937 -1.8801 -1.8801 -1.8281 -1.8281 1.7028 1.7028 1.7326 1.7326 3.8815 3.8815 3.9043 3.9043 4.2382 4.2382 4.2423 4.2423 8.5634 8.5634 8.5816 8.5816 10.3443 10.3443 10.3537 10.3537 k = 0.3372 0.1947 0.3066 ( 3006 PWs) bands (ev): -6.8866 -6.8866 -6.8860 -6.8860 -2.7927 -2.7927 -2.7910 -2.7910 -2.6445 -2.6445 -2.5722 -2.5722 -2.1732 -2.1732 -2.1594 -2.1594 -2.0292 -2.0292 -1.9919 -1.9919 -1.8669 -1.8669 -1.8163 -1.8163 1.6370 1.6370 1.6652 1.6652 3.8824 3.8824 3.9041 3.9041 4.2121 4.2121 4.2157 4.2157 8.5335 8.5335 8.5502 8.5502 10.3351 10.3351 10.3447 10.3447 k = 0.3488 0.2014 0.3066 ( 2994 PWs) bands (ev): -6.8790 -6.8790 -6.8784 -6.8784 -2.7921 -2.7921 -2.7899 -2.7899 -2.6352 -2.6352 -2.5672 -2.5672 -2.1715 -2.1715 -2.1574 -2.1574 -2.0257 -2.0257 -1.9902 -1.9902 -1.8532 -1.8532 -1.8044 -1.8044 1.5731 1.5731 1.5997 1.5997 3.8844 3.8844 3.9048 3.9048 4.1878 4.1878 4.1909 4.1909 8.5039 8.5039 8.5191 8.5191 10.3242 10.3242 10.3335 10.3335 k = 0.3605 0.2081 0.3066 ( 3000 PWs) bands (ev): -6.8717 -6.8717 -6.8711 -6.8711 -2.7915 -2.7915 -2.7889 -2.7889 -2.6261 -2.6261 -2.5626 -2.5626 -2.1699 -2.1699 -2.1558 -2.1558 -2.0222 -2.0222 -1.9887 -1.9887 -1.8390 -1.8390 -1.7925 -1.7925 1.5116 1.5116 1.5364 1.5364 3.8870 3.8870 3.9062 3.9062 4.1654 4.1654 4.1681 4.1681 8.4750 8.4750 8.4888 8.4888 10.3118 10.3118 10.3209 10.3209 k = 0.3721 0.2148 0.3066 ( 3002 PWs) bands (ev): -6.8649 -6.8649 -6.8643 -6.8643 -2.7909 -2.7909 -2.7881 -2.7881 -2.6172 -2.6172 -2.5584 -2.5584 -2.1684 -2.1684 -2.1546 -2.1546 -2.0187 -2.0187 -1.9874 -1.9874 -1.8246 -1.8246 -1.7808 -1.7808 1.4529 1.4529 1.4759 1.4759 3.8898 3.8898 3.9078 3.9078 4.1453 4.1453 4.1475 4.1475 8.4472 8.4472 8.4597 8.4597 10.2986 10.2986 10.3071 10.3071 k = 0.3837 0.2215 0.3066 ( 3010 PWs) bands (ev): -6.8585 -6.8585 -6.8580 -6.8580 -2.7904 -2.7904 -2.7874 -2.7874 -2.6085 -2.6085 -2.5547 -2.5547 -2.1670 -2.1670 -2.1538 -2.1538 -2.0153 -2.0153 -1.9864 -1.9864 -1.8102 -1.8102 -1.7694 -1.7694 1.3976 1.3976 1.4187 1.4187 3.8926 3.8926 3.9093 3.9093 4.1274 4.1274 4.1292 4.1292 8.4210 8.4210 8.4322 8.4322 10.2849 10.2849 10.2928 10.2928 k = 0.3953 0.2283 0.3066 ( 3006 PWs) bands (ev): -6.8526 -6.8526 -6.8521 -6.8521 -2.7898 -2.7898 -2.7869 -2.7869 -2.6003 -2.6003 -2.5515 -2.5515 -2.1657 -2.1657 -2.1532 -2.1532 -2.0119 -2.0119 -1.9855 -1.9855 -1.7960 -1.7960 -1.7585 -1.7585 1.3461 1.3461 1.3652 1.3652 3.8951 3.8951 3.9103 3.9103 4.1119 4.1119 4.1133 4.1133 8.3966 8.3966 8.4065 8.4065 10.2712 10.2712 10.2785 10.2785 k = 0.4070 0.2350 0.3066 ( 3010 PWs) bands (ev): -6.8473 -6.8473 -6.8468 -6.8468 -2.7893 -2.7893 -2.7865 -2.7865 -2.5925 -2.5925 -2.5489 -2.5489 -2.1644 -2.1644 -2.1529 -2.1529 -2.0087 -2.0087 -1.9849 -1.9849 -1.7822 -1.7822 -1.7483 -1.7483 1.2988 1.2988 1.3159 1.3159 3.8970 3.8970 3.9107 3.9107 4.0989 4.0989 4.0999 4.0999 8.3742 8.3742 8.3829 8.3829 10.2579 10.2579 10.2644 10.2644 k = 0.4186 0.2417 0.3066 ( 2998 PWs) bands (ev): -6.8425 -6.8425 -6.8421 -6.8421 -2.7888 -2.7888 -2.7861 -2.7861 -2.5852 -2.5852 -2.5468 -2.5468 -2.1632 -2.1632 -2.1527 -2.1527 -2.0056 -2.0056 -1.9845 -1.9845 -1.7690 -1.7690 -1.7389 -1.7389 1.2561 1.2561 1.2712 1.2712 3.8982 3.8982 3.9104 3.9104 4.0882 4.0882 4.0890 4.0890 8.3541 8.3541 8.3616 8.3616 10.2454 10.2454 10.2511 10.2511 k = 0.4302 0.2484 0.3066 ( 2990 PWs) bands (ev): -6.8383 -6.8383 -6.8379 -6.8379 -2.7884 -2.7884 -2.7859 -2.7859 -2.5783 -2.5783 -2.5454 -2.5454 -2.1621 -2.1621 -2.1528 -2.1528 -2.0027 -2.0027 -1.9844 -1.9844 -1.7567 -1.7567 -1.7306 -1.7306 1.2185 1.2185 1.2315 1.2315 3.8989 3.8989 3.9094 3.9094 4.0798 4.0798 4.0805 4.0805 8.3364 8.3364 8.3428 8.3428 10.2340 10.2340 10.2389 10.2389 k = 0.4419 0.2551 0.3066 ( 2990 PWs) bands (ev): -6.8346 -6.8346 -6.8344 -6.8344 -2.7879 -2.7879 -2.7858 -2.7858 -2.5721 -2.5721 -2.5445 -2.5445 -2.1610 -2.1610 -2.1531 -2.1531 -1.9999 -1.9999 -1.9845 -1.9845 -1.7455 -1.7455 -1.7236 -1.7236 1.1861 1.1861 1.1970 1.1970 3.8989 3.8989 3.9077 3.9077 4.0735 4.0735 4.0740 4.0740 8.3212 8.3212 8.3265 8.3265 10.2239 10.2239 10.2280 10.2280 k = 0.4535 0.2618 0.3066 ( 2990 PWs) bands (ev): -6.8317 -6.8317 -6.8314 -6.8314 -2.7875 -2.7875 -2.7857 -2.7857 -2.5664 -2.5664 -2.5443 -2.5443 -2.1599 -2.1599 -2.1535 -2.1535 -1.9973 -1.9973 -1.9849 -1.9849 -1.7356 -1.7356 -1.7179 -1.7179 1.1594 1.1594 1.1682 1.1682 3.8987 3.8987 3.9057 3.9057 4.0689 4.0689 4.0693 4.0693 8.3088 8.3088 8.3130 8.3130 10.2154 10.2154 10.2187 10.2187 k = 0.4651 0.2685 0.3066 ( 2994 PWs) bands (ev): -6.8293 -6.8293 -6.8291 -6.8291 -2.7871 -2.7871 -2.7858 -2.7858 -2.5613 -2.5613 -2.5447 -2.5447 -2.1589 -2.1589 -2.1540 -2.1540 -1.9949 -1.9949 -1.9856 -1.9856 -1.7272 -1.7272 -1.7139 -1.7139 1.1386 1.1386 1.1452 1.1452 3.8984 3.8984 3.9036 3.9036 4.0658 4.0658 4.0661 4.0661 8.2991 8.2991 8.3023 8.3023 10.2087 10.2087 10.2111 10.2111 k = 0.4767 0.2752 0.3066 ( 2984 PWs) bands (ev): -6.8276 -6.8276 -6.8275 -6.8275 -2.7868 -2.7868 -2.7858 -2.7858 -2.5569 -2.5569 -2.5458 -2.5458 -2.1579 -2.1579 -2.1546 -2.1546 -1.9928 -1.9928 -1.9865 -1.9865 -1.7205 -1.7205 -1.7115 -1.7115 1.1239 1.1239 1.1283 1.1283 3.8982 3.8982 3.9017 3.9017 4.0638 4.0638 4.0641 4.0641 8.2923 8.2923 8.2944 8.2944 10.2039 10.2039 10.2055 10.2055 k = 0.4884 0.2820 0.3066 ( 2984 PWs) bands (ev): -6.8266 -6.8266 -6.8265 -6.8265 -2.7865 -2.7865 -2.7860 -2.7860 -2.5531 -2.5531 -2.5476 -2.5476 -2.1570 -2.1570 -2.1554 -2.1554 -1.9909 -1.9909 -1.9877 -1.9877 -1.7155 -1.7155 -1.7110 -1.7110 1.1154 1.1154 1.1176 1.1176 3.8983 3.8983 3.9001 3.9001 4.0628 4.0628 4.0629 4.0629 8.2884 8.2884 8.2895 8.2895 10.2012 10.2012 10.2020 10.2020 k = 0.5000 0.2887 0.3066 ( 2984 PWs) bands (ev): -6.8262 -6.8262 -6.8262 -6.8262 -2.7862 -2.7862 -2.7862 -2.7862 -2.5500 -2.5500 -2.5500 -2.5500 -2.1561 -2.1561 -2.1561 -2.1561 -1.9892 -1.9892 -1.9892 -1.9892 -1.7123 -1.7123 -1.7123 -1.7123 1.1133 1.1133 1.1133 1.1133 3.8990 3.8990 3.8990 3.8990 4.0625 4.0625 4.0625 4.0625 8.2875 8.2875 8.2875 8.2875 10.2005 10.2005 10.2005 10.2005 k = 0.5000 0.2887 0.3066 ( 2984 PWs) bands (ev): -6.8262 -6.8262 -6.8262 -6.8262 -2.7862 -2.7862 -2.7862 -2.7862 -2.5500 -2.5500 -2.5500 -2.5500 -2.1561 -2.1561 -2.1561 -2.1561 -1.9892 -1.9892 -1.9892 -1.9892 -1.7123 -1.7123 -1.7123 -1.7123 1.1133 1.1133 1.1133 1.1133 3.8990 3.8990 3.8990 3.8990 4.0625 4.0625 4.0625 4.0625 8.2875 8.2875 8.2875 8.2875 10.2005 10.2005 10.2005 10.2005 k = 0.4933 0.3002 0.3066 ( 2980 PWs) bands (ev): -6.8262 -6.8262 -6.8260 -6.8260 -2.7881 -2.7881 -2.7841 -2.7841 -2.5551 -2.5551 -2.5451 -2.5451 -2.1572 -2.1572 -2.1548 -2.1548 -1.9913 -1.9913 -1.9871 -1.9871 -1.7172 -1.7172 -1.7070 -1.7070 1.1118 1.1118 1.1158 1.1158 3.8795 3.8795 3.9075 3.9075 4.0492 4.0492 4.0786 4.0786 8.2890 8.2890 8.2958 8.2958 10.2009 10.2009 10.2056 10.2056 k = 0.4867 0.3118 0.3066 ( 2984 PWs) bands (ev): -6.8259 -6.8259 -6.8257 -6.8257 -2.7897 -2.7897 -2.7817 -2.7817 -2.5603 -2.5603 -2.5404 -2.5404 -2.1578 -2.1578 -2.1531 -2.1531 -1.9935 -1.9935 -1.9852 -1.9852 -1.7216 -1.7216 -1.7014 -1.7014 1.1112 1.1112 1.1193 1.1193 3.8519 3.8519 3.9012 3.9012 4.0427 4.0427 4.0948 4.0948 8.3001 8.3001 8.3138 8.3138 10.2066 10.2066 10.2160 10.2160 k = 0.4800 0.3233 0.3066 ( 2984 PWs) bands (ev): -6.8255 -6.8255 -6.8251 -6.8251 -2.7912 -2.7912 -2.7791 -2.7791 -2.5656 -2.5656 -2.5359 -2.5359 -2.1581 -2.1581 -2.1510 -2.1510 -1.9958 -1.9958 -1.9834 -1.9834 -1.7256 -1.7256 -1.6954 -1.6954 1.1115 1.1115 1.1236 1.1236 3.8179 3.8179 3.8795 3.8795 4.0440 4.0440 4.1096 4.1096 8.3206 8.3206 8.3408 8.3408 10.2179 10.2179 10.2320 10.2320 k = 0.4733 0.3349 0.3066 ( 2984 PWs) bands (ev): -6.8248 -6.8248 -6.8244 -6.8244 -2.7924 -2.7924 -2.7763 -2.7763 -2.5710 -2.5710 -2.5316 -2.5316 -2.1581 -2.1581 -2.1486 -2.1486 -1.9982 -1.9982 -1.9817 -1.9817 -1.7291 -1.7291 -1.6890 -1.6890 1.1126 1.1126 1.1289 1.1289 3.7782 3.7782 3.8455 3.8455 4.0506 4.0506 4.1228 4.1228 8.3496 8.3496 8.3763 8.3763 10.2346 10.2346 10.2535 10.2535 k = 0.4667 0.3464 0.3066 ( 2988 PWs) bands (ev): -6.8240 -6.8240 -6.8234 -6.8234 -2.7934 -2.7934 -2.7732 -2.7732 -2.5764 -2.5764 -2.5275 -2.5275 -2.1578 -2.1578 -2.1458 -2.1458 -2.0006 -2.0006 -1.9801 -1.9801 -1.7322 -1.7322 -1.6824 -1.6824 1.1146 1.1146 1.1350 1.1350 3.7334 3.7334 3.8028 3.8028 4.0596 4.0596 4.1343 4.1343 8.3863 8.3863 8.4190 8.4190 10.2571 10.2571 10.2808 10.2808 k = 0.4600 0.3580 0.3066 ( 2996 PWs) bands (ev): -6.8230 -6.8230 -6.8223 -6.8223 -2.7942 -2.7942 -2.7698 -2.7698 -2.5819 -2.5819 -2.5237 -2.5237 -2.1572 -2.1572 -2.1428 -2.1428 -2.0031 -2.0031 -1.9786 -1.9786 -1.7347 -1.7347 -1.6756 -1.6756 1.1172 1.1172 1.1419 1.1419 3.6841 3.6841 3.7537 3.7537 4.0694 4.0694 4.1446 4.1446 8.4294 8.4294 8.4678 8.4678 10.2853 10.2853 10.3140 10.3140 k = 0.4533 0.3695 0.3066 ( 3000 PWs) bands (ev): -6.8218 -6.8218 -6.8210 -6.8210 -2.7948 -2.7948 -2.7663 -2.7663 -2.5874 -2.5874 -2.5202 -2.5202 -2.1564 -2.1564 -2.1394 -2.1394 -2.0056 -2.0056 -1.9773 -1.9773 -1.7367 -1.7367 -1.6686 -1.6686 1.1206 1.1206 1.1496 1.1496 3.6307 3.6307 3.6999 3.6999 4.0793 4.0793 4.1538 4.1538 8.4777 8.4777 8.5215 8.5215 10.3195 10.3195 10.3531 10.3531 k = 0.4467 0.3811 0.3066 ( 3006 PWs) bands (ev): -6.8205 -6.8205 -6.8196 -6.8196 -2.7953 -2.7953 -2.7625 -2.7625 -2.5929 -2.5929 -2.5169 -2.5169 -2.1554 -2.1554 -2.1358 -2.1358 -2.0081 -2.0081 -1.9761 -1.9761 -1.7382 -1.7382 -1.6613 -1.6613 1.1245 1.1245 1.1580 1.1580 3.5741 3.5741 3.6426 3.6426 4.0889 4.0889 4.1622 4.1622 8.5297 8.5297 8.5784 8.5784 10.3597 10.3597 10.3983 10.3983 k = 0.4400 0.3926 0.3066 ( 2998 PWs) bands (ev): -6.8191 -6.8191 -6.8181 -6.8181 -2.7956 -2.7956 -2.7585 -2.7585 -2.5983 -2.5983 -2.5139 -2.5139 -2.1542 -2.1542 -2.1320 -2.1320 -2.0106 -2.0106 -1.9750 -1.9750 -1.7391 -1.7391 -1.6540 -1.6540 1.1290 1.1290 1.1669 1.1669 3.5149 3.5149 3.5829 3.5829 4.0983 4.0983 4.1700 4.1700 8.5842 8.5842 8.6373 8.6373 10.4059 10.4059 10.4495 10.4495 k = 0.4333 0.4041 0.3066 ( 2994 PWs) bands (ev): -6.8175 -6.8175 -6.8164 -6.8164 -2.7958 -2.7958 -2.7544 -2.7544 -2.6036 -2.6036 -2.5111 -2.5111 -2.1529 -2.1529 -2.1279 -2.1279 -2.0132 -2.0132 -1.9740 -1.9740 -1.7396 -1.7396 -1.6465 -1.6465 1.1337 1.1337 1.1762 1.1762 3.4538 3.4538 3.5216 3.5216 4.1074 4.1074 4.1774 4.1774 8.6396 8.6396 8.6967 8.6967 10.4580 10.4580 10.5066 10.5066 k = 0.4267 0.4157 0.3066 ( 2994 PWs) bands (ev): -6.8159 -6.8159 -6.8147 -6.8147 -2.7959 -2.7959 -2.7500 -2.7500 -2.6088 -2.6088 -2.5086 -2.5086 -2.1514 -2.1514 -2.1238 -2.1238 -2.0157 -2.0157 -1.9731 -1.9731 -1.7395 -1.7395 -1.6391 -1.6391 1.1387 1.1387 1.1859 1.1859 3.3918 3.3918 3.4597 3.4597 4.1161 4.1161 4.1845 4.1845 8.6947 8.6947 8.7552 8.7552 10.5155 10.5155 10.5690 10.5690 k = 0.4200 0.4272 0.3066 ( 3006 PWs) bands (ev): -6.8142 -6.8142 -6.8129 -6.8129 -2.7959 -2.7959 -2.7456 -2.7456 -2.6139 -2.6139 -2.5063 -2.5063 -2.1500 -2.1500 -2.1195 -2.1195 -2.0182 -2.0182 -1.9723 -1.9723 -1.7389 -1.7389 -1.6316 -1.6316 1.1438 1.1438 1.1958 1.1958 3.3296 3.3296 3.3981 3.3981 4.1246 4.1246 4.1914 4.1914 8.7484 8.7484 8.8116 8.8116 10.5778 10.5778 10.6361 10.6361 k = 0.4133 0.4388 0.3066 ( 3006 PWs) bands (ev): -6.8124 -6.8124 -6.8110 -6.8110 -2.7958 -2.7958 -2.7411 -2.7411 -2.6189 -2.6189 -2.5042 -2.5042 -2.1485 -2.1485 -2.1152 -2.1152 -2.0207 -2.0207 -1.9716 -1.9716 -1.7379 -1.7379 -1.6242 -1.6242 1.1489 1.1489 1.2056 1.2056 3.2681 3.2681 3.3376 3.3376 4.1326 4.1326 4.1980 4.1980 8.7995 8.7995 8.8651 8.8651 10.6441 10.6441 10.7070 10.7070 k = 0.4067 0.4503 0.3066 ( 3006 PWs) bands (ev): -6.8106 -6.8106 -6.8092 -6.8092 -2.7956 -2.7956 -2.7365 -2.7365 -2.6237 -2.6237 -2.5024 -2.5024 -2.1470 -2.1470 -2.1109 -2.1109 -2.0231 -2.0231 -1.9709 -1.9709 -1.7365 -1.7365 -1.6170 -1.6170 1.1537 1.1537 1.2152 1.2152 3.2082 3.2082 3.2789 3.2789 4.1404 4.1404 4.2044 4.2044 8.8474 8.8474 8.9147 8.9147 10.7128 10.7128 10.7801 10.7801 k = 0.4000 0.4619 0.3066 ( 3010 PWs) bands (ev): -6.8088 -6.8088 -6.8073 -6.8073 -2.7954 -2.7954 -2.7319 -2.7319 -2.6283 -2.6283 -2.5007 -2.5007 -2.1456 -2.1456 -2.1066 -2.1066 -2.0254 -2.0254 -1.9703 -1.9703 -1.7348 -1.7348 -1.6100 -1.6100 1.1582 1.1582 1.2245 1.2245 3.1505 3.1505 3.2230 3.2230 4.1477 4.1477 4.2106 4.2106 8.8913 8.8913 8.9598 8.9598 10.7824 10.7824 10.8536 10.8536 k = 0.3933 0.4734 0.3066 ( 3014 PWs) bands (ev): -6.8071 -6.8071 -6.8055 -6.8055 -2.7952 -2.7952 -2.7274 -2.7274 -2.6327 -2.6327 -2.4993 -2.4993 -2.1442 -2.1442 -2.1025 -2.1025 -2.0277 -2.0277 -1.9698 -1.9698 -1.7327 -1.7327 -1.6032 -1.6032 1.1623 1.1623 1.2332 1.2332 3.0959 3.0959 3.1704 3.1704 4.1547 4.1547 4.2165 4.2165 8.9307 8.9307 9.0001 9.0001 10.8506 10.8506 10.9251 10.9251 k = 0.3867 0.4850 0.3066 ( 3012 PWs) bands (ev): -6.8054 -6.8054 -6.8038 -6.8038 -2.7949 -2.7949 -2.7229 -2.7229 -2.6368 -2.6368 -2.4980 -2.4980 -2.1430 -2.1430 -2.0986 -2.0986 -2.0298 -2.0298 -1.9693 -1.9693 -1.7305 -1.7305 -1.5968 -1.5968 1.1657 1.1657 1.2411 1.2411 3.0450 3.0450 3.1217 3.1217 4.1611 4.1611 4.2221 4.2221 8.9655 8.9655 9.0354 9.0354 10.9148 10.9148 10.9921 10.9921 k = 0.3800 0.4965 0.3066 ( 3020 PWs) bands (ev): -6.8038 -6.8038 -6.8021 -6.8021 -2.7946 -2.7946 -2.7187 -2.7187 -2.6406 -2.6406 -2.4969 -2.4969 -2.1418 -2.1418 -2.0950 -2.0950 -2.0317 -2.0317 -1.9689 -1.9689 -1.7281 -1.7281 -1.5908 -1.5908 1.1684 1.1684 1.2481 1.2481 2.9987 2.9987 3.0777 3.0777 4.1671 4.1671 4.2274 4.2274 8.9954 8.9954 9.0655 9.0655 10.9722 10.9722 11.0519 11.0519 k = 0.3733 0.5081 0.3066 ( 3024 PWs) bands (ev): -6.8024 -6.8024 -6.8006 -6.8006 -2.7944 -2.7944 -2.7147 -2.7147 -2.6441 -2.6441 -2.4960 -2.4960 -2.1408 -2.1408 -2.0917 -2.0917 -2.0335 -2.0335 -1.9684 -1.9684 -1.7257 -1.7257 -1.5853 -1.5853 1.1704 1.1704 1.2540 1.2540 2.9575 2.9575 3.0387 3.0387 4.1725 4.1725 4.2321 4.2321 9.0204 9.0204 9.0906 9.0906 11.0199 11.0199 11.1027 11.1027 k = 0.3667 0.5196 0.3066 ( 3024 PWs) bands (ev): -6.8010 -6.8010 -6.7992 -6.7992 -2.7942 -2.7942 -2.7111 -2.7111 -2.6472 -2.6472 -2.4952 -2.4952 -2.1400 -2.1400 -2.0889 -2.0889 -2.0350 -2.0350 -1.9681 -1.9681 -1.7233 -1.7233 -1.5804 -1.5804 1.1717 1.1717 1.2587 1.2587 2.9218 2.9218 3.0052 3.0052 4.1772 4.1772 4.2364 4.2364 9.0407 9.0407 9.1108 9.1108 11.0561 11.0561 11.1435 11.1435 k = 0.3600 0.5312 0.3066 ( 3016 PWs) bands (ev): -6.7999 -6.7999 -6.7981 -6.7981 -2.7940 -2.7940 -2.7080 -2.7080 -2.6498 -2.6498 -2.4945 -2.4945 -2.1393 -2.1393 -2.0864 -2.0864 -2.0363 -2.0363 -1.9678 -1.9678 -1.7211 -1.7211 -1.5762 -1.5762 1.1722 1.1722 1.2622 1.2622 2.8923 2.8923 2.9775 2.9775 4.1812 4.1812 4.2400 4.2400 9.0565 9.0565 9.1265 9.1265 11.0806 11.0806 11.1744 11.1744 k = 0.3533 0.5427 0.3066 ( 3012 PWs) bands (ev): -6.7990 -6.7990 -6.7971 -6.7971 -2.7938 -2.7938 -2.7054 -2.7054 -2.6518 -2.6518 -2.4940 -2.4940 -2.1387 -2.1387 -2.0845 -2.0845 -2.0372 -2.0372 -1.9675 -1.9675 -1.7192 -1.7192 -1.5728 -1.5728 1.1723 1.1723 1.2646 1.2646 2.8691 2.8691 2.9559 2.9559 4.1844 4.1844 4.2429 4.2429 9.0680 9.0680 9.1379 9.1379 11.0952 11.0952 11.1963 11.1963 k = 0.3467 0.5543 0.3066 ( 3014 PWs) bands (ev): -6.7983 -6.7983 -6.7964 -6.7964 -2.7936 -2.7936 -2.7036 -2.7036 -2.6533 -2.6533 -2.4936 -2.4936 -2.1383 -2.1383 -2.0832 -2.0832 -2.0379 -2.0379 -1.9673 -1.9673 -1.7177 -1.7177 -1.5703 -1.5703 1.1719 1.1719 1.2660 1.2660 2.8525 2.8525 2.9404 2.9404 4.1867 4.1867 4.2451 4.2451 9.0757 9.0757 9.1454 9.1454 11.1029 11.1029 11.2104 11.2104 k = 0.3400 0.5658 0.3066 ( 3002 PWs) bands (ev): -6.7978 -6.7978 -6.7959 -6.7959 -2.7936 -2.7936 -2.7025 -2.7025 -2.6541 -2.6541 -2.4934 -2.4934 -2.1381 -2.1381 -2.0824 -2.0824 -2.0383 -2.0383 -1.9671 -1.9671 -1.7167 -1.7167 -1.5687 -1.5687 1.1715 1.1715 1.2666 1.2666 2.8426 2.8426 2.9312 2.9312 4.1882 4.1882 4.2465 4.2465 9.0799 9.0799 9.1496 9.1496 11.1063 11.1063 11.2179 11.2179 k = 0.3333 0.5774 0.3066 ( 2994 PWs) bands (ev): -6.7977 -6.7977 -6.7958 -6.7958 -2.7935 -2.7935 -2.7021 -2.7021 -2.6544 -2.6544 -2.4933 -2.4933 -2.1380 -2.1380 -2.0822 -2.0822 -2.0384 -2.0384 -1.9671 -1.9671 -1.7163 -1.7163 -1.5681 -1.5681 1.1712 1.1712 1.2667 1.2667 2.8393 2.8393 2.9282 2.9282 4.1887 4.1887 4.2469 4.2469 9.0812 9.0812 9.1508 9.1508 11.1073 11.1073 11.2203 11.2203 k = 0.3333 0.5774 0.3066 ( 2994 PWs) bands (ev): -6.7977 -6.7977 -6.7958 -6.7958 -2.7935 -2.7935 -2.7021 -2.7021 -2.6544 -2.6544 -2.4933 -2.4933 -2.1380 -2.1380 -2.0822 -2.0822 -2.0384 -2.0384 -1.9671 -1.9671 -1.7163 -1.7163 -1.5681 -1.5681 1.1712 1.1712 1.2667 1.2667 2.8393 2.8393 2.9282 2.9282 4.1887 4.1887 4.2469 4.2469 9.0812 9.0812 9.1508 9.1508 11.1073 11.1073 11.2203 11.2203 k = 0.3265 0.5656 0.3066 ( 2998 PWs) bands (ev): -6.7978 -6.7978 -6.7959 -6.7959 -2.7936 -2.7936 -2.7025 -2.7025 -2.6542 -2.6542 -2.4934 -2.4934 -2.1381 -2.1381 -2.0824 -2.0824 -2.0383 -2.0383 -1.9672 -1.9672 -1.7167 -1.7167 -1.5687 -1.5687 1.1716 1.1716 1.2667 1.2667 2.8426 2.8426 2.9313 2.9313 4.1882 4.1882 4.2464 4.2464 9.0801 9.0801 9.1497 9.1497 11.1064 11.1064 11.2180 11.2180 k = 0.3197 0.5538 0.3066 ( 3006 PWs) bands (ev): -6.7983 -6.7983 -6.7965 -6.7965 -2.7937 -2.7937 -2.7034 -2.7034 -2.6536 -2.6536 -2.4937 -2.4937 -2.1383 -2.1383 -2.0831 -2.0831 -2.0381 -2.0381 -1.9673 -1.9673 -1.7180 -1.7180 -1.5706 -1.5706 1.1730 1.1730 1.2671 1.2671 2.8525 2.8525 2.9405 2.9405 4.1865 4.1865 4.2449 4.2449 9.0769 9.0769 9.1466 9.1466 11.1039 11.1039 11.2113 11.2113 k = 0.3129 0.5420 0.3066 ( 3006 PWs) bands (ev): -6.7992 -6.7992 -6.7974 -6.7974 -2.7938 -2.7938 -2.7049 -2.7049 -2.6528 -2.6528 -2.4941 -2.4941 -2.1387 -2.1387 -2.0842 -2.0842 -2.0378 -2.0378 -1.9676 -1.9676 -1.7202 -1.7202 -1.5737 -1.5737 1.1759 1.1759 1.2685 1.2685 2.8685 2.8685 2.9554 2.9554 4.1838 4.1838 4.2423 4.2423 9.0723 9.0723 9.1422 9.1422 11.0990 11.0990 11.2001 11.2001 k = 0.3061 0.5302 0.3066 ( 3010 PWs) bands (ev): -6.8005 -6.8005 -6.7987 -6.7987 -2.7940 -2.7940 -2.7067 -2.7067 -2.6521 -2.6521 -2.4948 -2.4948 -2.1392 -2.1392 -2.0856 -2.0856 -2.0375 -2.0375 -1.9680 -1.9680 -1.7235 -1.7235 -1.5782 -1.5782 1.1807 1.1807 1.2712 1.2712 2.8904 2.8904 2.9759 2.9759 4.1799 4.1799 4.2386 4.2386 9.0668 9.0668 9.1368 9.1368 11.0907 11.0907 11.1843 11.1843 k = 0.2993 0.5184 0.3066 ( 3014 PWs) bands (ev): -6.8022 -6.8022 -6.8004 -6.8004 -2.7943 -2.7943 -2.7088 -2.7088 -2.6514 -2.6514 -2.4958 -2.4958 -2.1399 -2.1399 -2.0872 -2.0872 -2.0372 -2.0372 -1.9685 -1.9685 -1.7278 -1.7278 -1.5840 -1.5840 1.1878 1.1878 1.2759 1.2759 2.9176 2.9176 3.0015 3.0015 4.1749 4.1749 4.2339 4.2339 9.0608 9.0608 9.1310 9.1310 11.0781 11.0781 11.1643 11.1643 k = 0.2925 0.5067 0.3066 ( 3018 PWs) bands (ev): -6.8044 -6.8044 -6.8026 -6.8026 -2.7946 -2.7946 -2.7111 -2.7111 -2.6510 -2.6510 -2.4970 -2.4970 -2.1407 -2.1407 -2.0891 -2.0891 -2.0371 -2.0371 -1.9692 -1.9692 -1.7332 -1.7332 -1.5912 -1.5912 1.1975 1.1975 1.2829 1.2829 2.9498 2.9498 3.0318 3.0318 4.1687 4.1687 4.2281 4.2281 9.0548 9.0548 9.1253 9.1253 11.0602 11.0602 11.1403 11.1403 k = 0.2857 0.4949 0.3066 ( 3018 PWs) bands (ev): -6.8069 -6.8069 -6.8052 -6.8052 -2.7950 -2.7950 -2.7135 -2.7135 -2.6508 -2.6508 -2.4985 -2.4985 -2.1416 -2.1416 -2.0912 -2.0912 -2.0371 -2.0371 -1.9700 -1.9700 -1.7397 -1.7397 -1.5998 -1.5998 1.2104 1.2104 1.2927 1.2927 2.9866 2.9866 3.0666 3.0666 4.1615 4.1615 4.2213 4.2213 9.0491 9.0491 9.1199 9.1199 11.0367 11.0367 11.1129 11.1129 k = 0.2789 0.4831 0.3066 ( 3016 PWs) bands (ev): -6.8100 -6.8100 -6.8083 -6.8083 -2.7954 -2.7954 -2.7160 -2.7160 -2.6510 -2.6510 -2.5003 -2.5003 -2.1427 -2.1427 -2.0935 -2.0935 -2.0374 -2.0374 -1.9709 -1.9709 -1.7473 -1.7473 -1.6096 -1.6096 1.2265 1.2265 1.3057 1.3057 3.0274 3.0274 3.1054 3.1054 4.1532 4.1532 4.2136 4.2136 9.0440 9.0440 9.1151 9.1151 11.0079 11.0079 11.0825 11.0825 k = 0.2721 0.4713 0.3066 ( 3020 PWs) bands (ev): -6.8135 -6.8135 -6.8118 -6.8118 -2.7959 -2.7959 -2.7187 -2.7187 -2.6515 -2.6515 -2.5026 -2.5026 -2.1438 -2.1438 -2.0959 -2.0959 -2.0377 -2.0377 -1.9719 -1.9719 -1.7558 -1.7558 -1.6207 -1.6207 1.2461 1.2461 1.3220 1.3220 3.0719 3.0719 3.1480 3.1480 4.1440 4.1440 4.2050 4.2050 9.0398 9.0398 9.1112 9.1112 10.9745 10.9745 11.0491 11.0491 k = 0.2653 0.4595 0.3066 ( 3020 PWs) bands (ev): -6.8174 -6.8174 -6.8158 -6.8158 -2.7964 -2.7964 -2.7214 -2.7214 -2.6525 -2.6525 -2.5052 -2.5052 -2.1451 -2.1451 -2.0985 -2.0985 -2.0383 -2.0383 -1.9731 -1.9731 -1.7652 -1.7652 -1.6329 -1.6329 1.2694 1.2694 1.3420 1.3420 3.1197 3.1197 3.1939 3.1939 4.1338 4.1338 4.1956 4.1956 9.0366 9.0366 9.1084 9.1084 10.9375 10.9375 11.0130 11.0130 k = 0.2585 0.4477 0.3066 ( 3006 PWs) bands (ev): -6.8219 -6.8219 -6.8203 -6.8203 -2.7969 -2.7969 -2.7242 -2.7242 -2.6539 -2.6539 -2.5082 -2.5082 -2.1466 -2.1466 -2.1013 -2.1013 -2.0391 -2.0391 -1.9743 -1.9743 -1.7754 -1.7754 -1.6462 -1.6462 1.2965 1.2965 1.3658 1.3658 3.1703 3.1703 3.2429 3.2429 4.1230 4.1230 4.1857 4.1857 9.0346 9.0346 9.1068 9.1068 10.8977 10.8977 10.9745 10.9745 k = 0.2517 0.4360 0.3066 ( 3004 PWs) bands (ev): -6.8268 -6.8268 -6.8253 -6.8253 -2.7975 -2.7975 -2.7271 -2.7271 -2.6557 -2.6557 -2.5117 -2.5117 -2.1481 -2.1481 -2.1043 -2.1043 -2.0400 -2.0400 -1.9757 -1.9757 -1.7863 -1.7863 -1.6604 -1.6604 1.3274 1.3274 1.3934 1.3934 3.2235 3.2235 3.2945 3.2945 4.1115 4.1115 4.1753 4.1753 9.0337 9.0337 9.1063 9.1063 10.8558 10.8558 10.9339 10.9339 k = 0.2449 0.4242 0.3066 ( 3004 PWs) bands (ev): -6.8321 -6.8321 -6.8307 -6.8307 -2.7981 -2.7981 -2.7300 -2.7300 -2.6579 -2.6579 -2.5156 -2.5156 -2.1498 -2.1498 -2.1074 -2.1074 -2.0410 -2.0410 -1.9771 -1.9771 -1.7977 -1.7977 -1.6753 -1.6753 1.3621 1.3621 1.4249 1.4249 3.2787 3.2787 3.3486 3.3486 4.0995 4.0995 4.1647 4.1647 9.0339 9.0339 9.1071 9.1071 10.8124 10.8124 10.8915 10.8915 k = 0.2381 0.4124 0.3066 ( 3008 PWs) bands (ev): -6.8379 -6.8379 -6.8366 -6.8365 -2.7987 -2.7987 -2.7330 -2.7330 -2.6606 -2.6606 -2.5200 -2.5200 -2.1516 -2.1516 -2.1108 -2.1108 -2.0422 -2.0422 -1.9786 -1.9786 -1.8095 -1.8095 -1.6908 -1.6908 1.4004 1.4004 1.4601 1.4601 3.3357 3.3357 3.4047 3.4047 4.0872 4.0872 4.1542 4.1542 9.0352 9.0352 9.1090 9.1090 10.7678 10.7678 10.8476 10.8476 k = 0.2313 0.4006 0.3066 ( 3000 PWs) bands (ev): -6.8442 -6.8442 -6.8428 -6.8428 -2.7994 -2.7994 -2.7361 -2.7361 -2.6636 -2.6636 -2.5248 -2.5248 -2.1535 -2.1535 -2.1144 -2.1144 -2.0434 -2.0434 -1.9802 -1.9802 -1.8216 -1.8216 -1.7067 -1.7067 1.4423 1.4423 1.4991 1.4991 3.3940 3.3940 3.4627 3.4627 4.0749 4.0749 4.1440 4.1440 9.0374 9.0374 9.1119 9.1119 10.7222 10.7222 10.8025 10.8025 k = 0.2245 0.3888 0.3066 ( 2996 PWs) bands (ev): -6.8508 -6.8508 -6.8496 -6.8496 -2.8001 -2.8001 -2.7392 -2.7392 -2.6671 -2.6671 -2.5301 -2.5301 -2.1556 -2.1556 -2.1183 -2.1183 -2.0448 -2.0448 -1.9819 -1.9819 -1.8338 -1.8338 -1.7230 -1.7230 1.4876 1.4876 1.5416 1.5416 3.4531 3.4531 3.5221 3.5221 4.0627 4.0627 4.1345 4.1345 9.0404 9.0404 9.1156 9.1156 10.6760 10.6760 10.7566 10.7566 k = 0.2177 0.3770 0.3066 ( 2992 PWs) bands (ev): -6.8579 -6.8579 -6.8567 -6.8567 -2.8007 -2.8007 -2.7425 -2.7425 -2.6709 -2.6709 -2.5359 -2.5359 -2.1578 -2.1578 -2.1224 -2.1224 -2.0461 -2.0461 -1.9837 -1.9837 -1.8461 -1.8461 -1.7393 -1.7393 1.5360 1.5360 1.5875 1.5875 3.5125 3.5125 3.5826 3.5826 4.0511 4.0511 4.1262 4.1262 9.0438 9.0438 9.1198 9.1198 10.6292 10.6292 10.7102 10.7102 k = 0.2109 0.3653 0.3066 ( 2992 PWs) bands (ev): -6.8653 -6.8653 -6.8642 -6.8642 -2.8014 -2.8014 -2.7458 -2.7458 -2.6750 -2.6750 -2.5420 -2.5420 -2.1602 -2.1602 -2.1268 -2.1268 -2.0474 -2.0474 -1.9855 -1.9855 -1.8582 -1.8582 -1.7556 -1.7556 1.5874 1.5874 1.6365 1.6365 3.5717 3.5717 3.6440 3.6440 4.0402 4.0402 4.1197 4.1197 9.0473 9.0473 9.1242 9.1242 10.5822 10.5822 10.6636 10.6636 k = 0.2041 0.3535 0.3066 ( 2996 PWs) bands (ev): -6.8731 -6.8731 -6.8720 -6.8720 -2.8022 -2.8022 -2.7493 -2.7493 -2.6795 -2.6795 -2.5486 -2.5486 -2.1627 -2.1627 -2.1315 -2.1315 -2.0487 -2.0487 -1.9874 -1.9874 -1.8701 -1.8701 -1.7716 -1.7716 1.6413 1.6413 1.6883 1.6883 3.6299 3.6299 3.7057 3.7057 4.0306 4.0306 4.1156 4.1156 9.0507 9.0507 9.1285 9.1285 10.5352 10.5352 10.6171 10.6171 k = 0.1973 0.3417 0.3066 ( 3004 PWs) bands (ev): -6.8813 -6.8813 -6.8802 -6.8802 -2.8029 -2.8029 -2.7529 -2.7529 -2.6842 -2.6842 -2.5554 -2.5554 -2.1653 -2.1653 -2.1365 -2.1365 -2.0500 -2.0500 -1.9893 -1.9893 -1.8817 -1.8817 -1.7874 -1.7874 1.6975 1.6975 1.7426 1.7426 3.6861 3.6861 3.7672 3.7672 4.0230 4.0230 4.1150 4.1150 9.0532 9.0532 9.1320 9.1320 10.4886 10.4886 10.5714 10.5714 k = 0.1905 0.3299 0.3066 ( 2996 PWs) bands (ev): -6.8897 -6.8897 -6.8886 -6.8886 -2.8037 -2.8037 -2.7566 -2.7566 -2.6892 -2.6892 -2.5626 -2.5626 -2.1681 -2.1681 -2.1418 -2.1418 -2.0511 -2.0511 -1.9913 -1.9913 -1.8928 -1.8928 -1.8027 -1.8027 1.7555 1.7555 1.7991 1.7991 3.7391 3.7391 3.8276 3.8276 4.0185 4.0185 4.1190 4.1190 9.0545 9.0545 9.1341 9.1341 10.4430 10.4430 10.5269 10.5269 k = 0.1837 0.3181 0.3066 ( 2996 PWs) bands (ev): -6.8983 -6.8983 -6.8973 -6.8973 -2.8045 -2.8045 -2.7604 -2.7604 -2.6943 -2.6943 -2.5700 -2.5700 -2.1711 -2.1711 -2.1474 -2.1474 -2.0522 -2.0522 -1.9933 -1.9933 -1.9035 -1.9035 -1.8175 -1.8175 1.8151 1.8151 1.8574 1.8574 3.7876 3.7876 3.8844 3.8844 4.0194 4.0194 4.1292 4.1292 9.0539 9.0539 9.1342 9.1342 10.3991 10.3991 10.4843 10.4843 k = 0.1769 0.3063 0.3066 ( 2996 PWs) bands (ev): -6.9072 -6.9072 -6.9063 -6.9063 -2.8054 -2.8054 -2.7643 -2.7643 -2.6996 -2.6996 -2.5775 -2.5775 -2.1742 -2.1742 -2.1532 -2.1532 -2.0531 -2.0531 -1.9954 -1.9954 -1.9136 -1.9136 -1.8317 -1.8317 1.8756 1.8756 1.9169 1.9169 3.8302 3.8302 3.9319 3.9319 4.0319 4.0319 4.1469 4.1469 9.0506 9.0506 9.1313 9.1313 10.3579 10.3579 10.4444 10.4444 k = 0.1701 0.2946 0.3066 ( 2992 PWs) bands (ev): -6.9162 -6.9162 -6.9153 -6.9153 -2.8064 -2.8064 -2.7683 -2.7683 -2.7049 -2.7049 -2.5851 -2.5851 -2.1775 -2.1775 -2.1592 -2.1592 -2.0539 -2.0539 -1.9974 -1.9974 -1.9231 -1.9231 -1.8452 -1.8452 1.9368 1.9368 1.9772 1.9772 3.8662 3.8662 3.9611 3.9611 4.0650 4.0650 4.1730 4.1730 9.0438 9.0438 9.1244 9.1244 10.3205 10.3205 10.4082 10.4082 k = 0.1633 0.2828 0.3066 ( 2996 PWs) bands (ev): -6.9254 -6.9254 -6.9246 -6.9246 -2.8074 -2.8074 -2.7724 -2.7724 -2.7103 -2.7103 -2.5928 -2.5928 -2.1810 -2.1810 -2.1655 -2.1655 -2.0546 -2.0546 -1.9995 -1.9995 -1.9319 -1.9319 -1.8579 -1.8579 1.9979 1.9979 2.0378 2.0378 3.8960 3.8960 3.9762 3.9762 4.1149 4.1149 4.2071 4.2071 9.0326 9.0326 9.1125 9.1125 10.2881 10.2881 10.3764 10.3764 k = 0.1565 0.2710 0.3066 ( 2994 PWs) bands (ev): -6.9347 -6.9347 -6.9339 -6.9339 -2.8085 -2.8085 -2.7767 -2.7767 -2.7156 -2.7156 -2.6004 -2.6004 -2.1848 -2.1848 -2.1719 -2.1719 -2.0550 -2.0550 -2.0015 -2.0015 -1.9401 -1.9401 -1.8700 -1.8700 2.0586 2.0586 2.0980 2.0980 3.9214 3.9214 3.9876 3.9876 4.1712 4.1712 4.2480 4.2480 9.0162 9.0162 9.0945 9.0945 10.2619 10.2619 10.3502 10.3502 k = 0.1497 0.2592 0.3066 ( 2990 PWs) bands (ev): -6.9440 -6.9440 -6.9433 -6.9433 -2.8098 -2.8098 -2.7810 -2.7810 -2.7207 -2.7207 -2.6080 -2.6080 -2.1888 -2.1888 -2.1783 -2.1783 -2.0554 -2.0554 -2.0035 -2.0035 -1.9477 -1.9477 -1.8814 -1.8814 2.1183 2.1183 2.1572 2.1572 3.9445 3.9445 4.0002 4.0002 4.2293 4.2293 4.2935 4.2935 8.9937 8.9937 9.0695 9.0695 10.2431 10.2431 10.3305 10.3305 k = 0.1429 0.2474 0.3066 ( 2992 PWs) bands (ev): -6.9534 -6.9534 -6.9526 -6.9526 -2.8112 -2.8112 -2.7855 -2.7855 -2.7257 -2.7257 -2.6155 -2.6155 -2.1931 -2.1931 -2.1846 -2.1846 -2.0555 -2.0555 -2.0055 -2.0055 -1.9545 -1.9545 -1.8920 -1.8920 2.1763 2.1763 2.2149 2.2149 3.9675 3.9675 4.0159 4.0159 4.2875 4.2875 4.3419 4.3419 8.9645 8.9645 9.0368 9.0368 10.2326 10.2326 10.3179 10.3179 k = 0.1361 0.2357 0.3066 ( 2996 PWs) bands (ev): -6.9626 -6.9626 -6.9619 -6.9619 -2.8127 -2.8127 -2.7900 -2.7900 -2.7303 -2.7303 -2.6229 -2.6229 -2.1979 -2.1979 -2.1906 -2.1906 -2.0555 -2.0555 -2.0074 -2.0074 -1.9607 -1.9607 -1.9020 -1.9020 2.2323 2.2323 2.2703 2.2703 3.9922 3.9922 4.0356 4.0356 4.3448 4.3448 4.3917 4.3917 8.9282 8.9282 8.9961 8.9961 10.2310 10.2310 10.3133 10.3133 k = 0.1293 0.2239 0.3066 ( 2992 PWs) bands (ev): -6.9718 -6.9718 -6.9712 -6.9712 -2.8145 -2.8145 -2.7946 -2.7946 -2.7346 -2.7346 -2.6301 -2.6301 -2.2032 -2.2032 -2.1961 -2.1961 -2.0553 -2.0553 -2.0091 -2.0091 -1.9663 -1.9663 -1.9113 -1.9113 2.2855 2.2855 2.3229 2.3229 4.0199 4.0199 4.0599 4.0599 4.4009 4.4009 4.4418 4.4418 8.8846 8.8846 8.9473 8.9473 10.2384 10.2384 10.3168 10.3168 k = 0.1224 0.2121 0.3066 ( 2992 PWs) bands (ev): -6.9809 -6.9809 -6.9803 -6.9803 -2.8165 -2.8165 -2.7992 -2.7992 -2.7384 -2.7384 -2.6371 -2.6371 -2.2090 -2.2090 -2.2013 -2.2013 -2.0550 -2.0550 -2.0108 -2.0108 -1.9714 -1.9714 -1.9201 -1.9201 2.3356 2.3356 2.3722 2.3722 4.0517 4.0517 4.0890 4.0890 4.4554 4.4554 4.4914 4.4914 8.8338 8.8338 8.8910 8.8910 10.2547 10.2547 10.3286 10.3286 k = 0.1156 0.2003 0.3066 ( 2992 PWs) bands (ev): -6.9898 -6.9898 -6.9892 -6.9892 -2.8186 -2.8186 -2.8039 -2.8039 -2.7417 -2.7417 -2.6439 -2.6439 -2.2150 -2.2150 -2.2061 -2.2061 -2.0544 -2.0544 -2.0123 -2.0123 -1.9759 -1.9759 -1.9283 -1.9283 2.3821 2.3821 2.4177 2.4177 4.0881 4.0881 4.1232 4.1232 4.5081 4.5081 4.5400 4.5400 8.7762 8.7762 8.8278 8.8278 10.2794 10.2794 10.3485 10.3485 k = 0.1088 0.1885 0.3066 ( 2988 PWs) bands (ev): -6.9984 -6.9984 -6.9978 -6.9978 -2.8210 -2.8210 -2.8085 -2.8085 -2.7444 -2.7444 -2.6505 -2.6505 -2.2210 -2.2210 -2.2108 -2.2108 -2.0536 -2.0536 -2.0136 -2.0136 -1.9799 -1.9799 -1.9359 -1.9359 2.4248 2.4248 2.4592 2.4592 4.1294 4.1294 4.1626 4.1626 4.5587 4.5587 4.5871 4.5871 8.7125 8.7125 8.7585 8.7585 10.3120 10.3120 10.3760 10.3760 k = 0.1020 0.1767 0.3066 ( 2988 PWs) bands (ev): -7.0068 -7.0068 -7.0062 -7.0062 -2.8235 -2.8235 -2.8131 -2.8131 -2.7466 -2.7466 -2.6569 -2.6569 -2.2268 -2.2268 -2.2154 -2.2154 -2.0527 -2.0527 -2.0148 -2.0148 -1.9835 -1.9835 -1.9431 -1.9431 2.4635 2.4635 2.4963 2.4963 4.1755 4.1755 4.2068 4.2068 4.6073 4.6073 4.6325 4.6325 8.6435 8.6435 8.6840 8.6840 10.3518 10.3518 10.4107 10.4107 k = 0.0952 0.1650 0.3066 ( 2984 PWs) bands (ev): -7.0148 -7.0148 -7.0143 -7.0143 -2.8261 -2.8261 -2.8176 -2.8176 -2.7483 -2.7483 -2.6631 -2.6631 -2.2324 -2.2324 -2.2199 -2.2199 -2.0516 -2.0516 -2.0158 -2.0158 -1.9867 -1.9867 -1.9499 -1.9499 2.4981 2.4981 2.5292 2.5292 4.2262 4.2262 4.2556 4.2556 4.6536 4.6536 4.6760 4.6760 8.5699 8.5699 8.6054 8.6054 10.3980 10.3980 10.4520 10.4520 k = 0.0884 0.1532 0.3066 ( 2986 PWs) bands (ev): -7.0225 -7.0225 -7.0221 -7.0221 -2.8289 -2.8289 -2.8220 -2.8220 -2.7494 -2.7494 -2.6690 -2.6690 -2.2376 -2.2376 -2.2244 -2.2244 -2.0503 -2.0503 -2.0166 -2.0166 -1.9897 -1.9897 -1.9563 -1.9563 2.5286 2.5286 2.5578 2.5578 4.2809 4.2809 4.3084 4.3084 4.6977 4.6977 4.7175 4.7175 8.4928 8.4928 8.5236 8.5236 10.4498 10.4498 10.4991 10.4991 k = 0.0816 0.1414 0.3066 ( 2980 PWs) bands (ev): -7.0298 -7.0298 -7.0294 -7.0294 -2.8317 -2.8317 -2.8262 -2.8262 -2.7500 -2.7500 -2.6748 -2.6748 -2.2425 -2.2425 -2.2288 -2.2288 -2.0488 -2.0488 -2.0173 -2.0173 -1.9923 -1.9923 -1.9624 -1.9624 2.5553 2.5553 2.5823 2.5823 4.3389 4.3389 4.3644 4.3644 4.7395 4.7395 4.7569 4.7569 8.4131 8.4131 8.4398 8.4398 10.5067 10.5067 10.5513 10.5513 k = 0.0748 0.1296 0.3066 ( 2980 PWs) bands (ev): -7.0367 -7.0367 -7.0363 -7.0363 -2.8344 -2.8344 -2.8302 -2.8302 -2.7501 -2.7501 -2.6804 -2.6804 -2.2469 -2.2469 -2.2331 -2.2331 -2.0471 -2.0471 -2.0177 -2.0177 -1.9947 -1.9947 -1.9681 -1.9681 2.5783 2.5783 2.6031 2.6031 4.3990 4.3990 4.4226 4.4226 4.7792 4.7792 4.7942 4.7942 8.3320 8.3320 8.3550 8.3550 10.5678 10.5678 10.6079 10.6079 k = 0.0680 0.1178 0.3066 ( 2976 PWs) bands (ev): -7.0431 -7.0431 -7.0427 -7.0427 -2.8372 -2.8372 -2.8339 -2.8339 -2.7498 -2.7498 -2.6857 -2.6857 -2.2509 -2.2509 -2.2372 -2.2372 -2.0453 -2.0453 -2.0180 -2.0180 -1.9969 -1.9969 -1.9736 -1.9736 2.5980 2.5980 2.6205 2.6205 4.4602 4.4602 4.4818 4.4818 4.8168 4.8168 4.8296 4.8296 8.2507 8.2507 8.2703 8.2703 10.6323 10.6323 10.6682 10.6682 k = 0.0612 0.1060 0.3066 ( 2972 PWs) bands (ev): -7.0490 -7.0490 -7.0486 -7.0486 -2.8398 -2.8398 -2.8374 -2.8374 -2.7491 -2.7491 -2.6909 -2.6909 -2.2545 -2.2545 -2.2412 -2.2412 -2.0433 -2.0433 -2.0181 -2.0181 -1.9989 -1.9989 -1.9787 -1.9787 2.6147 2.6147 2.6349 2.6349 4.5210 4.5210 4.5406 4.5406 4.8525 4.8525 4.8631 4.8631 8.1703 8.1703 8.1870 8.1870 10.6996 10.6996 10.7312 10.7312 k = 0.0544 0.0943 0.3066 ( 2968 PWs) bands (ev): -7.0543 -7.0543 -7.0540 -7.0540 -2.8422 -2.8422 -2.8405 -2.8405 -2.7481 -2.7481 -2.6959 -2.6959 -2.2575 -2.2575 -2.2450 -2.2450 -2.0411 -2.0411 -2.0180 -2.0180 -2.0007 -2.0007 -1.9837 -1.9837 2.6286 2.6286 2.6465 2.6465 4.5798 4.5798 4.5974 4.5974 4.8866 4.8866 4.8951 4.8951 8.0922 8.0922 8.1063 8.1063 10.7687 10.7687 10.7962 10.7962 k = 0.0476 0.0825 0.3066 ( 2968 PWs) bands (ev): -7.0591 -7.0591 -7.0589 -7.0589 -2.8445 -2.8445 -2.8434 -2.8434 -2.7467 -2.7467 -2.7007 -2.7007 -2.2601 -2.2601 -2.2485 -2.2485 -2.0387 -2.0387 -2.0179 -2.0179 -2.0024 -2.0024 -1.9884 -1.9884 2.6403 2.6403 2.6558 2.6558 4.6350 4.6350 4.6504 4.6504 4.9193 4.9193 4.9258 4.9258 8.0178 8.0178 8.0296 8.0296 10.8386 10.8386 10.8621 10.8621 k = 0.0408 0.0707 0.3066 ( 2970 PWs) bands (ev): -7.0633 -7.0633 -7.0631 -7.0631 -2.8465 -2.8465 -2.8458 -2.8458 -2.7449 -2.7449 -2.7053 -2.7053 -2.2622 -2.2622 -2.2518 -2.2518 -2.0362 -2.0362 -2.0176 -2.0176 -2.0040 -2.0040 -1.9928 -1.9928 2.6498 2.6498 2.6630 2.6630 4.6848 4.6848 4.6981 4.6981 4.9507 4.9507 4.9552 4.9552 7.9486 7.9486 7.9584 7.9584 10.9083 10.9083 10.9278 10.9278 k = 0.0340 0.0589 0.3066 ( 2966 PWs) bands (ev): -7.0669 -7.0669 -7.0667 -7.0667 -2.8483 -2.8483 -2.8479 -2.8479 -2.7429 -2.7429 -2.7097 -2.7097 -2.2638 -2.2638 -2.2548 -2.2548 -2.0336 -2.0336 -2.0172 -2.0172 -2.0055 -2.0055 -1.9971 -1.9971 2.6576 2.6576 2.6685 2.6685 4.7278 4.7278 4.7389 4.7389 4.9804 4.9804 4.9833 4.9833 7.8864 7.8864 7.8943 7.8943 10.9764 10.9764 10.9920 10.9920 k = 0.0272 0.0471 0.3066 ( 2966 PWs) bands (ev): -7.0699 -7.0699 -7.0697 -7.0697 -2.8498 -2.8498 -2.8496 -2.8496 -2.7406 -2.7406 -2.7139 -2.7139 -2.2649 -2.2649 -2.2575 -2.2575 -2.0309 -2.0309 -2.0168 -2.0168 -2.0068 -2.0068 -2.0010 -2.0010 2.6638 2.6638 2.6725 2.6725 4.7632 4.7632 4.7721 4.7721 5.0078 5.0078 5.0094 5.0094 7.8326 7.8326 7.8387 7.8387 11.0410 11.0410 11.0530 11.0530 k = 0.0204 0.0353 0.3066 ( 2970 PWs) bands (ev): -7.0722 -7.0722 -7.0721 -7.0721 -2.8510 -2.8510 -2.8509 -2.8509 -2.7381 -2.7381 -2.7180 -2.7180 -2.2655 -2.2655 -2.2598 -2.2598 -2.0280 -2.0280 -2.0165 -2.0165 -2.0080 -2.0080 -2.0046 -2.0046 2.6687 2.6687 2.6752 2.6752 4.7906 4.7906 4.7971 4.7971 5.0315 5.0315 5.0322 5.0322 7.7888 7.7888 7.7934 7.7934 11.0995 11.0995 11.1083 11.1083 k = 0.0136 0.0236 0.3066 ( 2970 PWs) bands (ev): -7.0738 -7.0738 -7.0737 -7.0737 -2.8519 -2.8519 -2.8519 -2.8519 -2.7353 -2.7353 -2.7219 -2.7219 -2.2657 -2.2657 -2.2618 -2.2618 -2.0251 -2.0251 -2.0166 -2.0166 -2.0090 -2.0090 -2.0077 -2.0077 2.6724 2.6724 2.6767 2.6767 4.8100 4.8100 4.8143 4.8143 5.0500 5.0500 5.0502 5.0502 7.7566 7.7566 7.7596 7.7596 11.1483 11.1483 11.1544 11.1544 k = 0.0068 0.0118 0.3066 ( 2970 PWs) bands (ev): -7.0748 -7.0748 -7.0748 -7.0748 -2.8525 -2.8525 -2.8525 -2.8525 -2.7322 -2.7322 -2.7255 -2.7255 -2.2653 -2.2653 -2.2634 -2.2634 -2.0221 -2.0221 -2.0174 -2.0174 -2.0098 -2.0098 -2.0096 -2.0096 2.6749 2.6749 2.6771 2.6771 4.8219 4.8219 4.8240 4.8240 5.0617 5.0617 5.0618 5.0618 7.7371 7.7371 7.7386 7.7386 11.1824 11.1824 11.1857 11.1857 k = 0.0000 0.0000 0.3066 ( 2978 PWs) bands (ev): -7.0751 -7.0751 -7.0751 -7.0751 -2.8526 -2.8526 -2.8526 -2.8526 -2.7290 -2.7290 -2.7290 -2.7290 -2.2646 -2.2646 -2.2646 -2.2646 -2.0194 -2.0194 -2.0194 -2.0194 -2.0102 -2.0102 -2.0102 -2.0102 2.6765 2.6765 2.6765 2.6765 4.8265 4.8265 4.8265 4.8265 5.0657 5.0657 5.0657 5.0657 7.7310 7.7310 7.7310 7.7310 11.1960 11.1960 11.1960 11.1960 k = 0.5000 0.2887 0.3066 ( 2984 PWs) bands (ev): -6.8262 -6.8262 -6.8262 -6.8262 -2.7862 -2.7862 -2.7862 -2.7862 -2.5500 -2.5500 -2.5500 -2.5500 -2.1561 -2.1561 -2.1561 -2.1561 -1.9892 -1.9892 -1.9892 -1.9892 -1.7123 -1.7123 -1.7123 -1.7123 1.1133 1.1133 1.1133 1.1133 3.8990 3.8990 3.8990 3.8990 4.0625 4.0625 4.0625 4.0625 8.2875 8.2875 8.2875 8.2875 10.2005 10.2005 10.2005 10.2005 k = 0.5000 0.2887 0.2933 ( 2984 PWs) bands (ev): -6.8304 -6.8304 -6.8221 -6.8221 -2.7901 -2.7901 -2.7823 -2.7823 -2.5562 -2.5562 -2.5437 -2.5437 -2.1602 -2.1602 -2.1520 -2.1520 -1.9924 -1.9924 -1.9860 -1.9860 -1.7172 -1.7172 -1.7073 -1.7073 1.0942 1.0942 1.1346 1.1346 3.8534 3.8534 3.9348 3.9348 4.0218 4.0218 4.1080 4.1080 8.2360 8.2360 8.3421 8.3421 10.1727 10.1727 10.2348 10.2348 k = 0.5000 0.2887 0.2800 ( 2984 PWs) bands (ev): -6.8346 -6.8346 -6.8181 -6.8181 -2.7938 -2.7938 -2.7783 -2.7783 -2.5622 -2.5622 -2.5373 -2.5373 -2.1643 -2.1643 -2.1477 -2.1477 -1.9956 -1.9956 -1.9829 -1.9829 -1.7220 -1.7220 -1.7022 -1.7022 1.0773 1.0773 1.1578 1.1578 3.8018 3.8018 3.9378 3.9378 4.0114 4.0114 4.1527 4.1527 8.1893 8.1893 8.3982 8.3982 10.1530 10.1530 10.2739 10.2739 k = 0.5000 0.2887 0.2666 ( 2988 PWs) bands (ev): -6.8389 -6.8389 -6.8141 -6.8141 -2.7974 -2.7974 -2.7742 -2.7742 -2.5681 -2.5681 -2.5308 -2.5308 -2.1682 -2.1682 -2.1435 -2.1435 -1.9989 -1.9989 -1.9800 -1.9800 -1.7266 -1.7266 -1.6970 -1.6970 1.0627 1.0627 1.1829 1.1829 3.7444 3.7444 3.9036 3.9036 4.0373 4.0373 4.1946 4.1946 8.1487 8.1487 8.4536 8.4536 10.1430 10.1430 10.3162 10.3162 k = 0.5000 0.2887 0.2533 ( 2988 PWs) bands (ev): -6.8431 -6.8431 -6.8103 -6.8103 -2.8008 -2.8008 -2.7700 -2.7700 -2.5738 -2.5738 -2.5243 -2.5243 -2.1719 -2.1719 -2.1391 -2.1391 -2.0021 -2.0021 -1.9772 -1.9772 -1.7311 -1.7311 -1.6919 -1.6919 1.0505 1.0505 1.2098 1.2098 3.6818 3.6818 3.8636 3.8636 4.0688 4.0688 4.2328 4.2328 8.1154 8.1154 8.5067 8.5067 10.1443 10.1443 10.3599 10.3599 k = 0.5000 0.2887 0.2400 ( 2988 PWs) bands (ev): -6.8474 -6.8474 -6.8067 -6.8067 -2.8041 -2.8041 -2.7658 -2.7658 -2.5793 -2.5793 -2.5177 -2.5177 -2.1756 -2.1756 -2.1348 -2.1348 -2.0053 -2.0053 -1.9746 -1.9746 -1.7354 -1.7354 -1.6867 -1.6867 1.0406 1.0406 1.2382 1.2382 3.6148 3.6148 3.8247 3.8247 4.0987 4.0987 4.2671 4.2671 8.0902 8.0902 8.5553 8.5553 10.1582 10.1582 10.4032 10.4032 k = 0.5000 0.2887 0.2267 ( 2996 PWs) bands (ev): -6.8515 -6.8515 -6.8032 -6.8032 -2.8073 -2.8073 -2.7616 -2.7616 -2.5847 -2.5847 -2.5112 -2.5112 -2.1791 -2.1791 -2.1305 -2.1305 -2.0085 -2.0085 -1.9721 -1.9721 -1.7395 -1.7395 -1.6816 -1.6816 1.0330 1.0330 1.2680 1.2680 3.5446 3.5446 3.7877 3.7877 4.1250 4.1250 4.2976 4.2976 8.0738 8.0738 8.5982 8.5982 10.1856 10.1856 10.4440 10.4440 k = 0.5000 0.2887 0.2133 ( 3002 PWs) bands (ev): -6.8557 -6.8557 -6.7998 -6.7998 -2.8103 -2.8103 -2.7574 -2.7574 -2.5898 -2.5898 -2.5047 -2.5047 -2.1824 -2.1824 -2.1262 -2.1262 -2.0115 -2.0115 -1.9699 -1.9699 -1.7433 -1.7433 -1.6765 -1.6765 1.0279 1.0279 1.2990 1.2990 3.4721 3.4721 3.7529 3.7529 4.1466 4.1466 4.3253 4.3253 8.0665 8.0665 8.6341 8.6341 10.2269 10.2269 10.4804 10.4804 k = 0.5000 0.2887 0.2000 ( 3002 PWs) bands (ev): -6.8597 -6.8597 -6.7966 -6.7966 -2.8131 -2.8131 -2.7531 -2.7531 -2.5947 -2.5947 -2.4983 -2.4983 -2.1856 -2.1856 -2.1220 -2.1220 -2.0144 -2.0144 -1.9680 -1.9680 -1.7469 -1.7469 -1.6716 -1.6716 1.0250 1.0250 1.3310 1.3310 3.3985 3.3985 3.7202 3.7202 4.1623 4.1623 4.3511 4.3511 8.0684 8.0684 8.6627 8.6627 10.2818 10.2818 10.5102 10.5102 k = 0.5000 0.2887 0.1867 ( 3000 PWs) bands (ev): -6.8636 -6.8636 -6.7936 -6.7936 -2.8158 -2.8158 -2.7490 -2.7490 -2.5994 -2.5994 -2.4920 -2.4920 -2.1886 -2.1886 -2.1178 -2.1178 -2.0173 -2.0173 -1.9662 -1.9662 -1.7503 -1.7503 -1.6668 -1.6668 1.0244 1.0244 1.3636 1.3636 3.3245 3.3245 3.6894 3.6894 4.1712 4.1712 4.3760 4.3760 8.0792 8.0792 8.6840 8.6840 10.3489 10.3489 10.5318 10.5318 k = 0.5000 0.2887 0.1733 ( 2996 PWs) bands (ev): -6.8673 -6.8673 -6.7908 -6.7908 -2.8183 -2.8183 -2.7449 -2.7449 -2.6039 -2.6039 -2.4859 -2.4859 -2.1914 -2.1914 -2.1137 -2.1137 -2.0199 -2.0199 -1.9648 -1.9648 -1.7535 -1.7535 -1.6621 -1.6621 1.0260 1.0260 1.3967 1.3967 3.2512 3.2512 3.6605 3.6605 4.1731 4.1731 4.4006 4.4006 8.0984 8.0984 8.6987 8.6987 10.4249 10.4249 10.5456 10.5456 k = 0.5000 0.2887 0.1600 ( 2996 PWs) bands (ev): -6.8709 -6.8709 -6.7882 -6.7882 -2.8206 -2.8206 -2.7409 -2.7409 -2.6082 -2.6082 -2.4800 -2.4800 -2.1940 -2.1940 -2.1097 -2.1097 -2.0225 -2.0225 -1.9636 -1.9636 -1.7563 -1.7563 -1.6577 -1.6577 1.0295 1.0295 1.4298 1.4298 3.1790 3.1790 3.6336 3.6336 4.1683 4.1683 4.4250 4.4250 8.1255 8.1255 8.7077 8.7077 10.4934 10.4934 10.5650 10.5650 k = 0.5000 0.2887 0.1467 ( 2992 PWs) bands (ev): -6.8743 -6.8743 -6.7857 -6.7857 -2.8227 -2.8227 -2.7369 -2.7369 -2.6123 -2.6123 -2.4744 -2.4744 -2.1964 -2.1964 -2.1059 -2.1059 -2.0249 -2.0249 -1.9627 -1.9627 -1.7589 -1.7589 -1.6535 -1.6535 1.0349 1.0349 1.4627 1.4627 3.1089 3.1089 3.6086 3.6086 4.1577 4.1577 4.4491 4.4491 8.1595 8.1595 8.7120 8.7120 10.5061 10.5061 10.6361 10.6361 k = 0.5000 0.2887 0.1333 ( 2992 PWs) bands (ev): -6.8775 -6.8775 -6.7835 -6.7835 -2.8247 -2.8247 -2.7332 -2.7332 -2.6161 -2.6161 -2.4691 -2.4691 -2.1986 -2.1986 -2.1022 -2.1022 -2.0271 -2.0271 -1.9620 -1.9620 -1.7613 -1.7613 -1.6495 -1.6495 1.0418 1.0418 1.4949 1.4949 3.0415 3.0415 3.5857 3.5857 4.1425 4.1425 4.4726 4.4726 8.1993 8.1993 8.7128 8.7128 10.4855 10.4855 10.7348 10.7348 k = 0.5000 0.2887 0.1200 ( 3008 PWs) bands (ev): -6.8805 -6.8805 -6.7815 -6.7815 -2.8265 -2.8265 -2.7296 -2.7296 -2.6197 -2.6197 -2.4641 -2.4641 -2.2006 -2.2006 -2.0986 -2.0986 -2.0291 -2.0291 -1.9615 -1.9615 -1.7633 -1.7633 -1.6459 -1.6459 1.0500 1.0500 1.5262 1.5262 2.9775 2.9775 3.5647 3.5647 4.1239 4.1239 4.4950 4.4950 8.2436 8.2436 8.7111 8.7111 10.4516 10.4516 10.8405 10.8405 k = 0.5000 0.2887 0.1067 ( 3004 PWs) bands (ev): -6.8832 -6.8832 -6.7797 -6.7797 -2.8280 -2.8280 -2.7262 -2.7262 -2.6230 -2.6230 -2.4595 -2.4595 -2.2023 -2.2023 -2.0953 -2.0953 -2.0310 -2.0310 -1.9613 -1.9613 -1.7651 -1.7651 -1.6425 -1.6425 1.0591 1.0591 1.5559 1.5559 2.9176 2.9176 3.5458 3.5458 4.1032 4.1032 4.5160 4.5160 8.2912 8.2912 8.7078 8.7078 10.4091 10.4091 10.9485 10.9485 k = 0.5000 0.2887 0.0933 ( 3012 PWs) bands (ev): -6.8856 -6.8856 -6.7781 -6.7781 -2.8294 -2.8294 -2.7230 -2.7230 -2.6260 -2.6260 -2.4554 -2.4554 -2.2039 -2.2039 -2.0922 -2.0922 -2.0327 -2.0327 -1.9612 -1.9612 -1.7667 -1.7667 -1.6395 -1.6395 1.0687 1.0687 1.5837 1.5837 2.8625 2.8625 3.5290 3.5290 4.0815 4.0815 4.5353 4.5353 8.3403 8.3403 8.7037 8.7037 10.3612 10.3612 11.0555 11.0555 k = 0.5000 0.2887 0.0800 ( 3016 PWs) bands (ev): -6.8877 -6.8877 -6.7767 -6.7767 -2.8307 -2.8307 -2.7202 -2.7202 -2.6288 -2.6288 -2.4517 -2.4517 -2.2053 -2.2053 -2.0894 -2.0894 -2.0343 -2.0343 -1.9612 -1.9612 -1.7680 -1.7680 -1.6369 -1.6369 1.0784 1.0784 1.6090 1.6090 2.8128 2.8128 3.5144 3.5144 4.0601 4.0601 4.5525 4.5525 8.3891 8.3891 8.6993 8.6993 10.3109 10.3109 11.1588 11.1588 k = 0.5000 0.2887 0.0667 ( 3010 PWs) bands (ev): -6.8896 -6.8896 -6.7756 -6.7756 -2.8317 -2.8317 -2.7176 -2.7176 -2.6312 -2.6312 -2.4486 -2.4486 -2.2064 -2.2064 -2.0869 -2.0869 -2.0356 -2.0356 -1.9614 -1.9614 -1.7691 -1.7691 -1.6346 -1.6346 1.0878 1.0878 1.6315 1.6315 2.7692 2.7692 3.5019 3.5019 4.0399 4.0399 4.5674 4.5674 8.4357 8.4357 8.6953 8.6953 10.2611 10.2611 11.2553 11.2553 k = 0.5000 0.2887 0.0533 ( 3010 PWs) bands (ev): -6.8911 -6.8911 -6.7746 -6.7746 -2.8325 -2.8325 -2.7154 -2.7154 -2.6332 -2.6332 -2.4460 -2.4460 -2.2074 -2.2074 -2.0847 -2.0847 -2.0367 -2.0367 -1.9615 -1.9615 -1.7700 -1.7700 -1.6328 -1.6328 1.0963 1.0963 1.6506 1.6506 2.7325 2.7325 3.4917 3.4917 4.0220 4.0220 4.5798 4.5798 8.4778 8.4778 8.6921 8.6921 10.2147 10.2147 11.3416 11.3416 k = 0.5000 0.2887 0.0400 ( 3010 PWs) bands (ev): -6.8923 -6.8923 -6.7739 -6.7739 -2.8332 -2.8332 -2.7137 -2.7137 -2.6348 -2.6348 -2.4439 -2.4439 -2.2081 -2.2081 -2.0830 -2.0830 -2.0376 -2.0376 -1.9617 -1.9617 -1.7707 -1.7707 -1.6313 -1.6313 1.1036 1.1036 1.6660 1.6660 2.7032 2.7032 3.4837 3.4837 4.0072 4.0072 4.5897 4.5897 8.5132 8.5132 8.6900 8.6900 10.1748 10.1748 11.4143 11.4143 k = 0.5000 0.2887 0.0267 ( 3002 PWs) bands (ev): -6.8931 -6.8931 -6.7733 -6.7733 -2.8337 -2.8337 -2.7124 -2.7124 -2.6360 -2.6360 -2.4424 -2.4424 -2.2086 -2.2086 -2.0817 -2.0817 -2.0383 -2.0383 -1.9619 -1.9619 -1.7712 -1.7712 -1.6302 -1.6302 1.1091 1.1091 1.6773 1.6773 2.6818 2.6818 3.4780 3.4780 3.9961 3.9961 4.5968 4.5968 8.5398 8.5398 8.6891 8.6891 10.1439 10.1439 11.4696 11.4696 k = 0.5000 0.2887 0.0133 ( 3002 PWs) bands (ev): -6.8936 -6.8936 -6.7730 -6.7730 -2.8339 -2.8339 -2.7116 -2.7116 -2.6368 -2.6368 -2.4415 -2.4415 -2.2089 -2.2089 -2.0810 -2.0810 -2.0387 -2.0387 -1.9620 -1.9620 -1.7714 -1.7714 -1.6296 -1.6296 1.1125 1.1125 1.6842 1.6842 2.6689 2.6689 3.4745 3.4745 3.9893 3.9893 4.6011 4.6011 8.5562 8.5562 8.6890 8.6890 10.1243 10.1243 11.5044 11.5044 k = 0.5000 0.2887-0.0000 ( 3002 PWs) bands (ev): -6.8938 -6.8938 -6.7729 -6.7729 -2.8340 -2.8340 -2.7113 -2.7113 -2.6370 -2.6370 -2.4412 -2.4412 -2.2090 -2.2090 -2.0807 -2.0807 -2.0388 -2.0388 -1.9621 -1.9621 -1.7715 -1.7715 -1.6294 -1.6294 1.1137 1.1137 1.6865 1.6865 2.6645 2.6645 3.4734 3.4734 3.9869 3.9869 4.6025 4.6025 8.5617 8.5617 8.6891 8.6891 10.1176 10.1176 11.5162 11.5162 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -6.8054 -6.8054 -6.8049 -6.8020 -2.8142 -2.8142 -2.6978 -2.6922 -2.6922 -2.5851 -2.4403 -2.4403 -2.1836 -2.1836 -2.0827 -2.0320 -2.0208 -2.0208 -1.9624 -1.9624 -1.7021 -1.7021 -1.6553 -1.5243 1.4186 1.5273 1.5803 1.5803 2.2637 2.2637 3.4148 3.4326 3.4326 3.4582 3.6913 3.6913 9.5643 9.5643 9.9887 10.1760 10.2205 10.2205 12.3553 12.3553 k = 0.3333 0.5774 0.0133 ( 3006 PWs) bands (ev): -6.8054 -6.8054 -6.8049 -6.8020 -2.8141 -2.8141 -2.6978 -2.6922 -2.6922 -2.5853 -2.4406 -2.4406 -2.1834 -2.1834 -2.0827 -2.0322 -2.0209 -2.0209 -1.9625 -1.9625 -1.7022 -1.7022 -1.6550 -1.5244 1.4171 1.5252 1.5784 1.5784 2.2650 2.2650 3.4186 3.4355 3.4355 3.4616 3.6901 3.6901 9.5681 9.5681 9.9850 10.1716 10.2161 10.2161 12.3521 12.3607 k = 0.3333 0.5774 0.0267 ( 3000 PWs) bands (ev): -6.8052 -6.8052 -6.8048 -6.8019 -2.8138 -2.8138 -2.6976 -2.6923 -2.6923 -2.5858 -2.4414 -2.4414 -2.1827 -2.1827 -2.0828 -2.0329 -2.0211 -2.0211 -1.9625 -1.9625 -1.7024 -1.7024 -1.6541 -1.5246 1.4124 1.5192 1.5727 1.5727 2.2691 2.2691 3.4298 3.4439 3.4439 3.4719 3.6865 3.6865 9.5796 9.5796 9.9739 10.1585 10.2028 10.2028 12.3095 12.3410 k = 0.3333 0.5774 0.0400 ( 3003 PWs) bands (ev): -6.8051 -6.8051 -6.8046 -6.8017 -2.8134 -2.8134 -2.6972 -2.6925 -2.6925 -2.5867 -2.4428 -2.4428 -2.1816 -2.1816 -2.0830 -2.0340 -2.0214 -2.0214 -1.9627 -1.9627 -1.7028 -1.7028 -1.6527 -1.5249 1.4049 1.5094 1.5636 1.5636 2.2758 2.2758 3.4483 3.4570 3.4570 3.4888 3.6814 3.6814 9.5986 9.5986 9.9554 10.1366 10.1807 10.1807 12.2247 12.3160 k = 0.3333 0.5774 0.0533 ( 3000 PWs) bands (ev): -6.8048 -6.8048 -6.8043 -6.8015 -2.8128 -2.8128 -2.6968 -2.6927 -2.6927 -2.5880 -2.4447 -2.4447 -2.1801 -2.1801 -2.0832 -2.0355 -2.0218 -2.0218 -1.9628 -1.9628 -1.7032 -1.7032 -1.6507 -1.5254 1.3947 1.4962 1.5513 1.5513 2.2851 2.2851 3.4729 3.4729 3.4734 3.5119 3.6762 3.6762 9.6251 9.6251 9.9298 10.1061 10.1501 10.1501 12.1374 12.2742 k = 0.3333 0.5774 0.0667 ( 2988 PWs) bands (ev): -6.8045 -6.8045 -6.8040 -6.8012 -2.8121 -2.8121 -2.6961 -2.6930 -2.6930 -2.5896 -2.4470 -2.4470 -2.1782 -2.1782 -2.0835 -2.0374 -2.0224 -2.0224 -1.9630 -1.9630 -1.7038 -1.7038 -1.6482 -1.5260 1.3822 1.4800 1.5362 1.5362 2.2971 2.2971 3.4884 3.4884 3.5046 3.5407 3.6737 3.6737 9.6588 9.6588 9.8972 10.0672 10.1112 10.1112 12.0532 12.2050 k = 0.3333 0.5774 0.0800 ( 2991 PWs) bands (ev): -6.8042 -6.8042 -6.8036 -6.8009 -2.8113 -2.8113 -2.6954 -2.6934 -2.6934 -2.5915 -2.4496 -2.4496 -2.1760 -2.1760 -2.0838 -2.0396 -2.0230 -2.0230 -1.9632 -1.9632 -1.7045 -1.7045 -1.6453 -1.5268 1.3677 1.4613 1.5189 1.5189 2.3117 2.3117 3.4986 3.4986 3.5413 3.5746 3.6782 3.6782 9.6994 9.6994 9.8579 10.0203 10.0646 10.0646 11.9747 12.1305 k = 0.3333 0.5774 0.0933 ( 2997 PWs) bands (ev): -6.8038 -6.8038 -6.8031 -6.8006 -2.8103 -2.8103 -2.6945 -2.6938 -2.6938 -2.5938 -2.4527 -2.4527 -2.1735 -2.1735 -2.0841 -2.0420 -2.0238 -2.0238 -1.9635 -1.9635 -1.7052 -1.7052 -1.6419 -1.5277 1.3518 1.4407 1.4997 1.4997 2.3288 2.3288 3.4987 3.4987 3.5827 3.6131 3.6940 3.6940 9.7465 9.7465 9.8125 9.9659 10.0112 10.0112 11.9033 12.0591 k = 0.3333 0.5774 0.1067 ( 3015 PWs) bands (ev): -6.8033 -6.8033 -6.8026 -6.8002 -2.8092 -2.8092 -2.6943 -2.6943 -2.6934 -2.5963 -2.4559 -2.4559 -2.1708 -2.1708 -2.0845 -2.0447 -2.0247 -2.0247 -1.9638 -1.9638 -1.7061 -1.7061 -1.6382 -1.5288 1.3347 1.4186 1.4793 1.4793 2.3484 2.3484 3.4875 3.4875 3.6278 3.6553 3.7217 3.7217 9.7616 9.7988 9.7988 9.9050 9.9529 9.9529 11.8397 11.9921 k = 0.3333 0.5774 0.1200 ( 3012 PWs) bands (ev): -6.8028 -6.8028 -6.8021 -6.7997 -2.8080 -2.8080 -2.6948 -2.6948 -2.6921 -2.5992 -2.4594 -2.4594 -2.1679 -2.1679 -2.0848 -2.0476 -2.0256 -2.0256 -1.9641 -1.9641 -1.7070 -1.7070 -1.6341 -1.5301 1.3170 1.3957 1.4581 1.4581 2.3704 2.3704 3.4672 3.4672 3.6760 3.7005 3.7588 3.7588 9.7059 9.8385 9.8443 9.8443 9.9024 9.9024 11.7839 11.9306 k = 0.3333 0.5774 0.1333 ( 3015 PWs) bands (ev): -6.8023 -6.8023 -6.8015 -6.7993 -2.8067 -2.8067 -2.6954 -2.6954 -2.6907 -2.6023 -2.4629 -2.4629 -2.1649 -2.1649 -2.0852 -2.0506 -2.0267 -2.0267 -1.9644 -1.9644 -1.7079 -1.7079 -1.6297 -1.5315 1.2991 1.3723 1.4366 1.4366 2.3947 2.3947 3.4402 3.4402 3.7263 3.7479 3.8018 3.8018 9.6465 9.7678 9.8059 9.8059 9.9378 9.9378 11.7358 11.8747 k = 0.3333 0.5774 0.1467 ( 3015 PWs) bands (ev): -6.8018 -6.8018 -6.8010 -6.7988 -2.8053 -2.8053 -2.6960 -2.6960 -2.6891 -2.6056 -2.4665 -2.4665 -2.1619 -2.1619 -2.0855 -2.0536 -2.0278 -2.0278 -1.9647 -1.9647 -1.7089 -1.7089 -1.6252 -1.5332 1.2813 1.3489 1.4152 1.4152 2.4213 2.4213 3.4084 3.4084 3.7778 3.7967 3.8486 3.8486 9.5844 9.6941 9.7366 9.7366 10.0071 10.0071 11.6948 11.8246 k = 0.3333 0.5774 0.1600 ( 3012 PWs) bands (ev): -6.8013 -6.8013 -6.8004 -6.7984 -2.8039 -2.8039 -2.6967 -2.6967 -2.6873 -2.6092 -2.4701 -2.4701 -2.1588 -2.1588 -2.0858 -2.0567 -2.0290 -2.0290 -1.9650 -1.9650 -1.7099 -1.7099 -1.6204 -1.5350 1.2640 1.3259 1.3943 1.3943 2.4501 2.4501 3.3730 3.3730 3.8297 3.8460 3.8971 3.8971 9.5209 9.6191 9.6638 9.6638 10.0838 10.0838 11.6604 11.7802 k = 0.3333 0.5774 0.1733 ( 3018 PWs) bands (ev): -6.8007 -6.8007 -6.7998 -6.7979 -2.8025 -2.8025 -2.6974 -2.6974 -2.6853 -2.6130 -2.4736 -2.4736 -2.1558 -2.1558 -2.0861 -2.0597 -2.0302 -2.0302 -1.9653 -1.9653 -1.7108 -1.7108 -1.6156 -1.5369 1.2474 1.3037 1.3743 1.3743 2.4809 2.4809 3.3349 3.3349 3.8811 3.8950 3.9462 3.9462 9.4572 9.5442 9.5907 9.5907 10.1659 10.1659 11.6319 11.7410 k = 0.3333 0.5774 0.1867 ( 3018 PWs) bands (ev): -6.8002 -6.8002 -6.7992 -6.7975 -2.8011 -2.8011 -2.6980 -2.6980 -2.6831 -2.6169 -2.4770 -2.4770 -2.1529 -2.1529 -2.0863 -2.0627 -2.0314 -2.0314 -1.9656 -1.9656 -1.7117 -1.7117 -1.6106 -1.5391 1.2319 1.2825 1.3553 1.3553 2.5138 2.5138 3.2945 3.2945 3.9311 3.9428 3.9944 3.9944 9.3947 9.4708 9.5191 9.5191 10.2527 10.2527 11.6087 11.7068 k = 0.3333 0.5774 0.2000 ( 3024 PWs) bands (ev): -6.7998 -6.7998 -6.7986 -6.7971 -2.7998 -2.7998 -2.6987 -2.6987 -2.6806 -2.6209 -2.4801 -2.4801 -2.1501 -2.1501 -2.0864 -2.0655 -2.0326 -2.0326 -1.9659 -1.9659 -1.7126 -1.7126 -1.6056 -1.5415 1.2178 1.2627 1.3377 1.3377 2.5484 2.5484 3.2524 3.2524 3.9788 3.9885 4.0409 4.0409 9.3347 9.4004 9.4505 9.4505 10.3436 10.3436 11.5901 11.6770 k = 0.3333 0.5774 0.2133 ( 3021 PWs) bands (ev): -6.7993 -6.7993 -6.7981 -6.7967 -2.7985 -2.7985 -2.6994 -2.6994 -2.6780 -2.6251 -2.4830 -2.4830 -2.1475 -2.1475 -2.0864 -2.0683 -2.0338 -2.0338 -1.9662 -1.9662 -1.7134 -1.7134 -1.6007 -1.5441 1.2051 1.2443 1.3218 1.3218 2.5847 2.5847 3.2090 3.2090 4.0234 4.0314 4.0847 4.0847 9.2784 9.3343 9.3863 9.3863 10.4383 10.4383 11.5756 11.6514 k = 0.3333 0.5774 0.2267 ( 3015 PWs) bands (ev): -6.7989 -6.7989 -6.7976 -6.7964 -2.7973 -2.7973 -2.7000 -2.7000 -2.6752 -2.6293 -2.4856 -2.4856 -2.1452 -2.1452 -2.0862 -2.0708 -2.0349 -2.0349 -1.9664 -1.9664 -1.7141 -1.7141 -1.5957 -1.5469 1.1942 1.2277 1.3076 1.3076 2.6226 2.6226 3.1646 3.1646 4.0642 4.0706 4.1247 4.1247 9.2272 9.2739 9.3278 9.3278 10.5360 10.5360 11.5647 11.6293 k = 0.3333 0.5774 0.2400 ( 3009 PWs) bands (ev): -6.7985 -6.7985 -6.7971 -6.7961 -2.7962 -2.7962 -2.7006 -2.7006 -2.6722 -2.6336 -2.4879 -2.4879 -2.1431 -2.1431 -2.0860 -2.0732 -2.0359 -2.0359 -1.9666 -1.9666 -1.7148 -1.7148 -1.5908 -1.5499 1.1851 1.2130 1.2953 1.2953 2.6619 2.6619 3.1196 3.1196 4.1002 4.1052 4.1602 4.1602 9.1822 9.2201 9.2761 9.2761 10.6363 10.6363 11.5569 11.6105 k = 0.3333 0.5774 0.2533 ( 3009 PWs) bands (ev): -6.7982 -6.7982 -6.7967 -6.7959 -2.7953 -2.7953 -2.7011 -2.7011 -2.6690 -2.6378 -2.4898 -2.4898 -2.1413 -2.1413 -2.0856 -2.0754 -2.0367 -2.0367 -1.9668 -1.9668 -1.7153 -1.7153 -1.5860 -1.5532 1.1780 1.2003 1.2851 1.2851 2.7021 2.7021 3.0744 3.0744 4.1308 4.1346 4.1905 4.1905 9.1443 9.1741 9.2323 9.2323 10.7385 10.7385 11.5520 11.5662 k = 0.3333 0.5774 0.2666 ( 2997 PWs) bands (ev): -6.7980 -6.7980 -6.7964 -6.7958 -2.7945 -2.7945 -2.7015 -2.7015 -2.6656 -2.6421 -2.4913 -2.4913 -2.1399 -2.1399 -2.0850 -2.0774 -2.0374 -2.0374 -1.9669 -1.9669 -1.7157 -1.7157 -1.5813 -1.5566 1.1730 1.1897 1.2771 1.2771 2.7430 2.7430 3.0296 3.0296 4.1554 4.1582 4.2147 4.2147 9.1147 9.1366 9.1972 9.1972 10.8418 10.8418 11.4741 11.4741 k = 0.3333 0.5774 0.2800 ( 2997 PWs) bands (ev): -6.7978 -6.7978 -6.7961 -6.7957 -2.7940 -2.7940 -2.7019 -2.7019 -2.6620 -2.6463 -2.4924 -2.4924 -2.1389 -2.1389 -2.0842 -2.0792 -2.0380 -2.0380 -1.9670 -1.9670 -1.7161 -1.7161 -1.5768 -1.5603 1.1702 1.1813 1.2713 1.2713 2.7835 2.7835 2.9863 2.9863 4.1735 4.1753 4.2325 4.2325 9.0939 9.1084 9.1716 9.1716 10.9449 10.9449 11.3777 11.3777 k = 0.3333 0.5774 0.2933 ( 3000 PWs) bands (ev): -6.7977 -6.7977 -6.7959 -6.7957 -2.7937 -2.7937 -2.7020 -2.7020 -2.6583 -2.6504 -2.4931 -2.4931 -2.1382 -2.1382 -2.0833 -2.0808 -2.0383 -2.0383 -1.9671 -1.9671 -1.7162 -1.7162 -1.5724 -1.5641 1.1696 1.1752 1.2678 1.2678 2.8203 2.8203 2.9477 2.9477 4.1847 4.1855 4.2433 4.2433 9.0826 9.0898 9.1561 9.1561 11.0440 11.0440 11.2823 11.2823 k = 0.3333 0.5774 0.3066 ( 2994 PWs) bands (ev): -6.7977 -6.7977 -6.7958 -6.7958 -2.7935 -2.7935 -2.7021 -2.7021 -2.6544 -2.6544 -2.4933 -2.4933 -2.1380 -2.1380 -2.0822 -2.0822 -2.0384 -2.0384 -1.9671 -1.9671 -1.7163 -1.7163 -1.5681 -1.5681 1.1712 1.1712 1.2667 1.2667 2.8393 2.8393 2.9282 2.9282 4.1887 4.1887 4.2469 4.2469 9.0812 9.0812 9.1508 9.1508 11.1073 11.1073 11.2203 11.2203 Writing output data file CdSe.save init_run : 4.98s CPU 13.17s WALL ( 1 calls) electrons : 498.12s CPU 504.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.69s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 498.00s CPU 504.74s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.88s WALL ( 1 calls) v_h : 0.05s CPU 0.11s WALL ( 1 calls) v_xc : 0.10s CPU 0.60s WALL ( 1 calls) newd : 0.34s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 312 calls) cegterg : 448.86s CPU 452.41s WALL ( 827 calls) Called by sum_band: Called by *egterg: h_psi : 188.27s CPU 196.09s WALL ( 14852 calls) s_psi : 14.48s CPU 15.26s WALL ( 14852 calls) g_psi : 0.33s CPU 0.46s WALL ( 13713 calls) cdiaghg : 184.79s CPU 181.95s WALL ( 14025 calls) cegterg:over : 35.93s CPU 32.66s WALL ( 13713 calls) cegterg:upda : 4.19s CPU 7.29s WALL ( 13713 calls) cegterg:last : 4.20s CPU 4.99s WALL ( 2073 calls) Called by h_psi: h_psi:vloc : 155.76s CPU 163.08s WALL ( 14852 calls) h_psi:vnl : 32.40s CPU 32.62s WALL ( 14852 calls) add_vuspsi : 8.38s CPU 11.75s WALL ( 14852 calls) General routines calbec : 23.99s CPU 20.75s WALL ( 14852 calls) fft : 0.63s CPU 1.39s WALL ( 19 calls) ffts : 0.02s CPU 0.04s WALL ( 4 calls) fftw : 133.80s CPU 135.70s WALL ( 1050192 calls) interpolate : 0.20s CPU 0.22s WALL ( 4 calls) davcio : 0.02s CPU 3.09s WALL ( 624 calls) Parallel routines fft_scatter : 104.75s CPU 104.42s WALL ( 1050215 calls) PWSCF : 9m 4.53s CPU 10m53.25s WALL This run was terminated on: 18: 4:33 28Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=