Program PWSCF v.5.1.1 starts on 27Jun2015 at 4: 2:54 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: ./InAs.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 19 14 4 787 508 82 Max 20 15 5 798 525 89 Sum 931 703 211 37951 24827 4043 bravais-lattice index = 14 lattice parameter (alat) = 7.9217 a.u. unit-cell volume = 702.8776 (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 = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.921731 celldm(2)= 1.000000 celldm(3)= 1.632634 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 1.632634 ) 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 0.612507 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) In 13.00 114.81800 In( 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 ) ( -0.8163168 ) 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 ) ( -0.8163168 ) 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 ) ( -0.8163168 ) 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 ) ( -0.8163168 ) 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 ) ( -0.8163168 ) 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 ) ( -0.8163168 ) 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0031646 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0031646 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0031646 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031646 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0031646 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0031646 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0031646 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0031646 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0031646 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0031646 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0031646 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0031646 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0031646 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0031646 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0031646 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0031646 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0031646 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0031646 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0031646 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0031646 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0031646 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031646 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031646 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031646 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031646 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031646 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031646 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031646 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031646 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031646 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031646 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031646 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031646 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031646 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031646 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031646 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031646 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031646 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031646 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0031646 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0031646 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0031646 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0031646 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0031646 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0031646 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0031646 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031646 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0031646 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0031646 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0031646 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0031646 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0031646 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0031646 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0031646 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0031646 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0031646 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031646 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0031646 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0031646 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0031646 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0031646 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031646 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0031646 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0031646 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0031646 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0031646 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031646 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0031646 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0031646 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0031646 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0031646 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0031646 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0031646 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0031646 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0031646 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0031646 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031646 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0031646 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0031646 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0031646 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0031646 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0031646 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0031646 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0031646 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0031646 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.0133154), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.0266308), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.0399461), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.0532615), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.0665769), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.0798923), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.0932076), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.1065230), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.1198384), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.1331538), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.1464691), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.1597845), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.1730999), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.1864153), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.1997306), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.2130460), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.2263614), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.2396768), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.2529921), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.2663075), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.2796229), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.2929383), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.3062537), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.3062537), wk = 0.0031646 k( 148) = ( 0.0113636 0.0065608 0.3062537), wk = 0.0031646 k( 149) = ( 0.0227273 0.0131216 0.3062537), wk = 0.0031646 k( 150) = ( 0.0340909 0.0196824 0.3062537), wk = 0.0031646 k( 151) = ( 0.0454546 0.0262432 0.3062537), wk = 0.0031646 k( 152) = ( 0.0568182 0.0328040 0.3062537), wk = 0.0031646 k( 153) = ( 0.0681818 0.0393648 0.3062537), wk = 0.0031646 k( 154) = ( 0.0795455 0.0459256 0.3062537), wk = 0.0031646 k( 155) = ( 0.0909091 0.0524864 0.3062537), wk = 0.0031646 k( 156) = ( 0.1022727 0.0590472 0.3062537), wk = 0.0031646 k( 157) = ( 0.1136364 0.0656080 0.3062537), wk = 0.0031646 k( 158) = ( 0.1250000 0.0721688 0.3062537), wk = 0.0031646 k( 159) = ( 0.1363636 0.0787296 0.3062537), wk = 0.0031646 k( 160) = ( 0.1477273 0.0852904 0.3062537), wk = 0.0031646 k( 161) = ( 0.1590909 0.0918512 0.3062537), wk = 0.0031646 k( 162) = ( 0.1704546 0.0984120 0.3062537), wk = 0.0031646 k( 163) = ( 0.1818182 0.1049728 0.3062537), wk = 0.0031646 k( 164) = ( 0.1931818 0.1115336 0.3062537), wk = 0.0031646 k( 165) = ( 0.2045454 0.1180944 0.3062537), wk = 0.0031646 k( 166) = ( 0.2159091 0.1246552 0.3062537), wk = 0.0031646 k( 167) = ( 0.2272727 0.1312160 0.3062537), wk = 0.0031646 k( 168) = ( 0.2386364 0.1377768 0.3062537), wk = 0.0031646 k( 169) = ( 0.2500000 0.1443376 0.3062537), wk = 0.0031646 k( 170) = ( 0.2613636 0.1508984 0.3062537), wk = 0.0031646 k( 171) = ( 0.2727273 0.1574592 0.3062537), wk = 0.0031646 k( 172) = ( 0.2840909 0.1640200 0.3062537), wk = 0.0031646 k( 173) = ( 0.2954545 0.1705808 0.3062537), wk = 0.0031646 k( 174) = ( 0.3068182 0.1771416 0.3062537), wk = 0.0031646 k( 175) = ( 0.3181818 0.1837024 0.3062537), wk = 0.0031646 k( 176) = ( 0.3295455 0.1902632 0.3062537), wk = 0.0031646 k( 177) = ( 0.3409091 0.1968240 0.3062537), wk = 0.0031646 k( 178) = ( 0.3522727 0.2033848 0.3062537), wk = 0.0031646 k( 179) = ( 0.3636364 0.2099456 0.3062537), wk = 0.0031646 k( 180) = ( 0.3750000 0.2165064 0.3062537), wk = 0.0031646 k( 181) = ( 0.3863636 0.2230672 0.3062537), wk = 0.0031646 k( 182) = ( 0.3977273 0.2296279 0.3062537), wk = 0.0031646 k( 183) = ( 0.4090909 0.2361887 0.3062537), wk = 0.0031646 k( 184) = ( 0.4204545 0.2427495 0.3062537), wk = 0.0031646 k( 185) = ( 0.4318182 0.2493103 0.3062537), wk = 0.0031646 k( 186) = ( 0.4431818 0.2558711 0.3062537), wk = 0.0031646 k( 187) = ( 0.4545455 0.2624319 0.3062537), wk = 0.0031646 k( 188) = ( 0.4659091 0.2689927 0.3062537), wk = 0.0031646 k( 189) = ( 0.4772727 0.2755535 0.3062537), wk = 0.0031646 k( 190) = ( 0.4886364 0.2821143 0.3062537), wk = 0.0031646 k( 191) = ( 0.5000000 0.2886751 0.3062537), wk = 0.0031646 k( 192) = ( 0.5000000 0.2886751 0.3062537), wk = 0.0031646 k( 193) = ( 0.4933333 0.3002221 0.3062537), wk = 0.0031646 k( 194) = ( 0.4866667 0.3117692 0.3062537), wk = 0.0031646 k( 195) = ( 0.4800000 0.3233162 0.3062537), wk = 0.0031646 k( 196) = ( 0.4733333 0.3348632 0.3062537), wk = 0.0031646 k( 197) = ( 0.4666667 0.3464102 0.3062537), wk = 0.0031646 k( 198) = ( 0.4600000 0.3579572 0.3062537), wk = 0.0031646 k( 199) = ( 0.4533333 0.3695042 0.3062537), wk = 0.0031646 k( 200) = ( 0.4466667 0.3810512 0.3062537), wk = 0.0031646 k( 201) = ( 0.4400000 0.3925982 0.3062537), wk = 0.0031646 k( 202) = ( 0.4333333 0.4041452 0.3062537), wk = 0.0031646 k( 203) = ( 0.4266667 0.4156922 0.3062537), wk = 0.0031646 k( 204) = ( 0.4200000 0.4272392 0.3062537), wk = 0.0031646 k( 205) = ( 0.4133333 0.4387862 0.3062537), wk = 0.0031646 k( 206) = ( 0.4066667 0.4503332 0.3062537), wk = 0.0031646 k( 207) = ( 0.4000000 0.4618802 0.3062537), wk = 0.0031646 k( 208) = ( 0.3933333 0.4734272 0.3062537), wk = 0.0031646 k( 209) = ( 0.3866667 0.4849742 0.3062537), wk = 0.0031646 k( 210) = ( 0.3800000 0.4965212 0.3062537), wk = 0.0031646 k( 211) = ( 0.3733333 0.5080682 0.3062537), wk = 0.0031646 k( 212) = ( 0.3666667 0.5196152 0.3062537), wk = 0.0031646 k( 213) = ( 0.3600000 0.5311622 0.3062537), wk = 0.0031646 k( 214) = ( 0.3533333 0.5427092 0.3062537), wk = 0.0031646 k( 215) = ( 0.3466667 0.5542563 0.3062537), wk = 0.0031646 k( 216) = ( 0.3400000 0.5658033 0.3062537), wk = 0.0031646 k( 217) = ( 0.3333333 0.5773503 0.3062537), wk = 0.0031646 k( 218) = ( 0.3333333 0.5773503 0.3062537), wk = 0.0031646 k( 219) = ( 0.3266667 0.5658033 0.3062537), wk = 0.0031646 k( 220) = ( 0.3200000 0.5542563 0.3062537), wk = 0.0031646 k( 221) = ( 0.3133333 0.5427092 0.3062537), wk = 0.0031646 k( 222) = ( 0.3066667 0.5311623 0.3062537), wk = 0.0031646 k( 223) = ( 0.3000000 0.5196152 0.3062537), wk = 0.0031646 k( 224) = ( 0.2933333 0.5080682 0.3062537), wk = 0.0031646 k( 225) = ( 0.2866667 0.4965212 0.3062537), wk = 0.0031646 k( 226) = ( 0.2800000 0.4849742 0.3062537), wk = 0.0031646 k( 227) = ( 0.2733333 0.4734272 0.3062537), wk = 0.0031646 k( 228) = ( 0.2666667 0.4618802 0.3062537), wk = 0.0031646 k( 229) = ( 0.2600000 0.4503332 0.3062537), wk = 0.0031646 k( 230) = ( 0.2533333 0.4387862 0.3062537), wk = 0.0031646 k( 231) = ( 0.2466667 0.4272392 0.3062537), wk = 0.0031646 k( 232) = ( 0.2400000 0.4156922 0.3062537), wk = 0.0031646 k( 233) = ( 0.2333333 0.4041452 0.3062537), wk = 0.0031646 k( 234) = ( 0.2266667 0.3925982 0.3062537), wk = 0.0031646 k( 235) = ( 0.2200000 0.3810512 0.3062537), wk = 0.0031646 k( 236) = ( 0.2133333 0.3695042 0.3062537), wk = 0.0031646 k( 237) = ( 0.2066667 0.3579572 0.3062537), wk = 0.0031646 k( 238) = ( 0.2000000 0.3464102 0.3062537), wk = 0.0031646 k( 239) = ( 0.1933333 0.3348632 0.3062537), wk = 0.0031646 k( 240) = ( 0.1866667 0.3233162 0.3062537), wk = 0.0031646 k( 241) = ( 0.1800000 0.3117691 0.3062537), wk = 0.0031646 k( 242) = ( 0.1733333 0.3002221 0.3062537), wk = 0.0031646 k( 243) = ( 0.1666667 0.2886751 0.3062537), wk = 0.0031646 k( 244) = ( 0.1600000 0.2771281 0.3062537), wk = 0.0031646 k( 245) = ( 0.1533333 0.2655811 0.3062537), wk = 0.0031646 k( 246) = ( 0.1466667 0.2540341 0.3062537), wk = 0.0031646 k( 247) = ( 0.1400000 0.2424871 0.3062537), wk = 0.0031646 k( 248) = ( 0.1333333 0.2309401 0.3062537), wk = 0.0031646 k( 249) = ( 0.1266667 0.2193931 0.3062537), wk = 0.0031646 k( 250) = ( 0.1200000 0.2078461 0.3062537), wk = 0.0031646 k( 251) = ( 0.1133333 0.1962991 0.3062537), wk = 0.0031646 k( 252) = ( 0.1066667 0.1847521 0.3062537), wk = 0.0031646 k( 253) = ( 0.1000000 0.1732051 0.3062537), wk = 0.0031646 k( 254) = ( 0.0933333 0.1616581 0.3062537), wk = 0.0031646 k( 255) = ( 0.0866667 0.1501111 0.3062537), wk = 0.0031646 k( 256) = ( 0.0800000 0.1385641 0.3062537), wk = 0.0031646 k( 257) = ( 0.0733333 0.1270171 0.3062537), wk = 0.0031646 k( 258) = ( 0.0666667 0.1154701 0.3062537), wk = 0.0031646 k( 259) = ( 0.0600000 0.1039230 0.3062537), wk = 0.0031646 k( 260) = ( 0.0533333 0.0923760 0.3062537), wk = 0.0031646 k( 261) = ( 0.0466667 0.0808290 0.3062537), wk = 0.0031646 k( 262) = ( 0.0400000 0.0692820 0.3062537), wk = 0.0031646 k( 263) = ( 0.0333333 0.0577350 0.3062537), wk = 0.0031646 k( 264) = ( 0.0266667 0.0461880 0.3062537), wk = 0.0031646 k( 265) = ( 0.0200000 0.0346410 0.3062537), wk = 0.0031646 k( 266) = ( 0.0133333 0.0230940 0.3062537), wk = 0.0031646 k( 267) = ( 0.0066667 0.0115470 0.3062537), wk = 0.0031646 k( 268) = ( 0.0000000 0.0000000 0.3062537), wk = 0.0031646 k( 269) = ( 0.5000000 0.2886751 0.3062537), wk = 0.0031646 k( 270) = ( 0.5000000 0.2886751 0.2929383), wk = 0.0031646 k( 271) = ( 0.5000000 0.2886751 0.2796229), wk = 0.0031646 k( 272) = ( 0.5000000 0.2886751 0.2663075), wk = 0.0031646 k( 273) = ( 0.5000000 0.2886751 0.2529921), wk = 0.0031646 k( 274) = ( 0.5000000 0.2886751 0.2396768), wk = 0.0031646 k( 275) = ( 0.5000000 0.2886751 0.2263614), wk = 0.0031646 k( 276) = ( 0.5000000 0.2886751 0.2130460), wk = 0.0031646 k( 277) = ( 0.5000000 0.2886751 0.1997306), wk = 0.0031646 k( 278) = ( 0.5000000 0.2886751 0.1864153), wk = 0.0031646 k( 279) = ( 0.5000000 0.2886751 0.1730999), wk = 0.0031646 k( 280) = ( 0.5000000 0.2886751 0.1597845), wk = 0.0031646 k( 281) = ( 0.5000000 0.2886751 0.1464691), wk = 0.0031646 k( 282) = ( 0.5000000 0.2886751 0.1331538), wk = 0.0031646 k( 283) = ( 0.5000000 0.2886751 0.1198384), wk = 0.0031646 k( 284) = ( 0.5000000 0.2886751 0.1065230), wk = 0.0031646 k( 285) = ( 0.5000000 0.2886751 0.0932076), wk = 0.0031646 k( 286) = ( 0.5000000 0.2886751 0.0798923), wk = 0.0031646 k( 287) = ( 0.5000000 0.2886751 0.0665769), wk = 0.0031646 k( 288) = ( 0.5000000 0.2886751 0.0532615), wk = 0.0031646 k( 289) = ( 0.5000000 0.2886751 0.0399461), wk = 0.0031646 k( 290) = ( 0.5000000 0.2886751 0.0266308), wk = 0.0031646 k( 291) = ( 0.5000000 0.2886751 0.0133154), wk = 0.0031646 k( 292) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031646 k( 293) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031646 k( 294) = ( 0.3333333 0.5773503 0.0133154), wk = 0.0031646 k( 295) = ( 0.3333333 0.5773503 0.0266308), wk = 0.0031646 k( 296) = ( 0.3333333 0.5773503 0.0399461), wk = 0.0031646 k( 297) = ( 0.3333333 0.5773503 0.0532615), wk = 0.0031646 k( 298) = ( 0.3333333 0.5773503 0.0665769), wk = 0.0031646 k( 299) = ( 0.3333333 0.5773503 0.0798923), wk = 0.0031646 k( 300) = ( 0.3333333 0.5773503 0.0932076), wk = 0.0031646 k( 301) = ( 0.3333333 0.5773503 0.1065230), wk = 0.0031646 k( 302) = ( 0.3333333 0.5773503 0.1198384), wk = 0.0031646 k( 303) = ( 0.3333333 0.5773503 0.1331538), wk = 0.0031646 k( 304) = ( 0.3333333 0.5773503 0.1464691), wk = 0.0031646 k( 305) = ( 0.3333333 0.5773503 0.1597845), wk = 0.0031646 k( 306) = ( 0.3333333 0.5773503 0.1730999), wk = 0.0031646 k( 307) = ( 0.3333333 0.5773503 0.1864153), wk = 0.0031646 k( 308) = ( 0.3333333 0.5773503 0.1997306), wk = 0.0031646 k( 309) = ( 0.3333333 0.5773503 0.2130460), wk = 0.0031646 k( 310) = ( 0.3333333 0.5773503 0.2263614), wk = 0.0031646 k( 311) = ( 0.3333333 0.5773503 0.2396768), wk = 0.0031646 k( 312) = ( 0.3333333 0.5773503 0.2529921), wk = 0.0031646 k( 313) = ( 0.3333333 0.5773503 0.2663075), wk = 0.0031646 k( 314) = ( 0.3333333 0.5773503 0.2796229), wk = 0.0031646 k( 315) = ( 0.3333333 0.5773503 0.2929383), wk = 0.0031646 k( 316) = ( 0.3333333 0.5773503 0.3062537), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0031646 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0031646 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0031646 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0031646 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0031646 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0031646 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0031646 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0031646 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0031646 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0031646 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0031646 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0031646 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0031646 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0031646 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0031646 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0031646 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0031646 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0031646 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0031646 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0031646 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0031646 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031646 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0031646 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0031646 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0031646 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0031646 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0031646 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0031646 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0031646 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0031646 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0031646 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0031646 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0031646 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0031646 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0031646 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0031646 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0031646 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0031646 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0031646 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0031646 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031646 k( 48) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0031646 k( 49) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0031646 k( 50) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031646 k( 51) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0031646 k( 52) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031646 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031646 k( 54) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0031646 k( 55) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031646 k( 56) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0031646 k( 57) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0031646 k( 58) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0031646 k( 59) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031646 k( 60) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0031646 k( 61) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0031646 k( 63) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031646 k( 64) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0031646 k( 65) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0031646 k( 67) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031646 k( 69) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 73) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0031646 k( 74) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0031646 k( 76) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0031646 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0031646 k( 79) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0031646 k( 80) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0031646 k( 82) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031646 k( 83) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031646 k( 84) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0031646 k( 85) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0031646 k( 86) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031646 k( 87) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0031646 k( 88) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0031646 k( 89) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031646 k( 90) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0031646 k( 91) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0031646 k( 92) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031646 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0031646 k( 94) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0031646 k( 95) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031646 k( 96) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0031646 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031646 k( 98) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031646 k( 99) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0031646 k( 100) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0031646 k( 101) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031646 k( 102) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0031646 k( 103) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0031646 k( 104) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031646 k( 105) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0031646 k( 106) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0031646 k( 107) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0031646 k( 108) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0031646 k( 109) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0031646 k( 110) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031646 k( 111) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0031646 k( 112) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0031646 k( 113) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031646 k( 114) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0031646 k( 115) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0031646 k( 116) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031646 k( 117) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0031646 k( 118) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0031646 k( 119) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031646 k( 120) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0031646 k( 121) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0031646 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 124) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 148) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0031646 k( 149) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0031646 k( 150) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0031646 k( 151) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0031646 k( 152) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0031646 k( 153) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0031646 k( 154) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0031646 k( 155) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0031646 k( 156) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0031646 k( 157) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0031646 k( 158) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0031646 k( 159) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0031646 k( 160) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0031646 k( 161) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0031646 k( 162) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0031646 k( 163) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0031646 k( 164) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0031646 k( 165) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0031646 k( 166) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0031646 k( 167) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0031646 k( 168) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0031646 k( 169) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031646 k( 170) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0031646 k( 171) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0031646 k( 172) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0031646 k( 173) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0031646 k( 174) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0031646 k( 175) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0031646 k( 176) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0031646 k( 177) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0031646 k( 178) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0031646 k( 179) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0031646 k( 180) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0031646 k( 181) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0031646 k( 182) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0031646 k( 183) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0031646 k( 184) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0031646 k( 185) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0031646 k( 186) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0031646 k( 187) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0031646 k( 188) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0031646 k( 189) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0031646 k( 190) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0031646 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 k( 192) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 k( 193) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031646 k( 194) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031646 k( 195) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031646 k( 196) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031646 k( 197) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031646 k( 198) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031646 k( 199) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031646 k( 200) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031646 k( 201) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031646 k( 202) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031646 k( 203) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031646 k( 204) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031646 k( 205) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031646 k( 206) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031646 k( 207) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031646 k( 208) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031646 k( 209) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031646 k( 210) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031646 k( 211) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031646 k( 212) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031646 k( 213) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031646 k( 214) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031646 k( 215) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031646 k( 216) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031646 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 k( 219) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0031646 k( 220) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031646 k( 221) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0031646 k( 222) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0031646 k( 223) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031646 k( 224) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0031646 k( 225) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0031646 k( 226) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031646 k( 227) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0031646 k( 228) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031646 k( 229) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031646 k( 230) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0031646 k( 231) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0031646 k( 232) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031646 k( 233) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0031646 k( 234) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0031646 k( 235) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031646 k( 236) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0031646 k( 237) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0031646 k( 238) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031646 k( 239) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0031646 k( 240) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0031646 k( 241) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031646 k( 242) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0031646 k( 243) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031646 k( 244) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031646 k( 245) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0031646 k( 246) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0031646 k( 247) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031646 k( 248) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031646 k( 249) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0031646 k( 250) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031646 k( 251) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0031646 k( 252) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0031646 k( 253) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031646 k( 254) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0031646 k( 255) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0031646 k( 256) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031646 k( 257) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0031646 k( 258) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031646 k( 259) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031646 k( 260) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0031646 k( 261) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0031646 k( 262) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031646 k( 263) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0031646 k( 264) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0031646 k( 265) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031646 k( 266) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0031646 k( 267) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0031646 k( 268) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 269) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 k( 270) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031646 k( 271) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031646 k( 272) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031646 k( 273) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031646 k( 274) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031646 k( 275) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031646 k( 276) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031646 k( 277) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031646 k( 278) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031646 k( 279) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031646 k( 280) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031646 k( 281) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031646 k( 282) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031646 k( 283) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031646 k( 284) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031646 k( 285) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031646 k( 286) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031646 k( 287) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031646 k( 288) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031646 k( 289) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031646 k( 290) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031646 k( 291) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031646 k( 292) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 293) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031646 k( 294) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031646 k( 295) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031646 k( 296) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031646 k( 297) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031646 k( 298) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0031646 k( 299) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031646 k( 300) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031646 k( 301) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031646 k( 302) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031646 k( 303) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031646 k( 304) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031646 k( 305) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031646 k( 306) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031646 k( 307) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031646 k( 308) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031646 k( 309) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031646 k( 310) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031646 k( 311) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031646 k( 312) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031646 k( 313) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031646 k( 314) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031646 k( 315) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031646 k( 316) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031646 Dense grid: 37951 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 24827 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 124, 44) NL pseudopotentials 0.09 Mb ( 62, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 789) G-vector shells 0.00 Mb ( 386) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 124, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./InAs.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 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 43.2 secs Computing kpt #: 3 total cpu time spent up to now is 44.2 secs Computing kpt #: 4 total cpu time spent up to now is 45.3 secs Computing kpt #: 5 total cpu time spent up to now is 46.3 secs Computing kpt #: 6 total cpu time spent up to now is 47.3 secs Computing kpt #: 7 total cpu time spent up to now is 50.2 secs Computing kpt #: 8 total cpu time spent up to now is 51.6 secs Computing kpt #: 9 total cpu time spent up to now is 52.6 secs Computing kpt #: 10 total cpu time spent up to now is 53.9 secs Computing kpt #: 11 total cpu time spent up to now is 55.0 secs Computing kpt #: 12 total cpu time spent up to now is 56.0 secs Computing kpt #: 13 total cpu time spent up to now is 57.8 secs Computing kpt #: 14 total cpu time spent up to now is 59.2 secs Computing kpt #: 15 total cpu time spent up to now is 60.5 secs Computing kpt #: 16 total cpu time spent up to now is 61.6 secs Computing kpt #: 17 total cpu time spent up to now is 62.6 secs Computing kpt #: 18 total cpu time spent up to now is 64.5 secs Computing kpt #: 19 total cpu time spent up to now is 66.1 secs Computing kpt #: 20 total cpu time spent up to now is 67.7 secs Computing kpt #: 21 total cpu time spent up to now is 70.1 secs Computing kpt #: 22 total cpu time spent up to now is 71.2 secs Computing kpt #: 23 total cpu time spent up to now is 73.4 secs Computing kpt #: 24 total cpu time spent up to now is 74.4 secs Computing kpt #: 25 total cpu time spent up to now is 75.9 secs Computing kpt #: 26 total cpu time spent up to now is 77.0 secs Computing kpt #: 27 total cpu time spent up to now is 78.3 secs Computing kpt #: 28 total cpu time spent up to now is 79.5 secs Computing kpt #: 29 total cpu time spent up to now is 80.7 secs Computing kpt #: 30 total cpu time spent up to now is 83.1 secs Computing kpt #: 31 total cpu time spent up to now is 85.7 secs Computing kpt #: 32 total cpu time spent up to now is 87.2 secs Computing kpt #: 33 total cpu time spent up to now is 88.4 secs Computing kpt #: 34 total cpu time spent up to now is 90.4 secs Computing kpt #: 35 total cpu time spent up to now is 93.1 secs Computing kpt #: 36 total cpu time spent up to now is 95.1 secs Computing kpt #: 37 total cpu time spent up to now is 96.6 secs Computing kpt #: 38 total cpu time spent up to now is 98.4 secs Computing kpt #: 39 total cpu time spent up to now is 100.6 secs Computing kpt #: 40 total cpu time spent up to now is 103.2 secs Computing kpt #: 41 total cpu time spent up to now is 104.4 secs Computing kpt #: 42 total cpu time spent up to now is 108.1 secs Computing kpt #: 43 total cpu time spent up to now is 111.4 secs Computing kpt #: 44 total cpu time spent up to now is 113.3 secs Computing kpt #: 45 total cpu time spent up to now is 114.7 secs Computing kpt #: 46 total cpu time spent up to now is 116.2 secs Computing kpt #: 47 total cpu time spent up to now is 117.7 secs Computing kpt #: 48 total cpu time spent up to now is 119.3 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 121.8 secs Computing kpt #: 51 total cpu time spent up to now is 122.8 secs Computing kpt #: 52 total cpu time spent up to now is 123.8 secs Computing kpt #: 53 total cpu time spent up to now is 124.9 secs Computing kpt #: 54 total cpu time spent up to now is 127.1 secs Computing kpt #: 55 total cpu time spent up to now is 130.2 secs Computing kpt #: 56 total cpu time spent up to now is 131.5 secs Computing kpt #: 57 total cpu time spent up to now is 132.5 secs Computing kpt #: 58 total cpu time spent up to now is 134.5 secs Computing kpt #: 59 total cpu time spent up to now is 135.9 secs Computing kpt #: 60 total cpu time spent up to now is 137.6 secs Computing kpt #: 61 total cpu time spent up to now is 139.3 secs Computing kpt #: 62 total cpu time spent up to now is 140.6 secs Computing kpt #: 63 total cpu time spent up to now is 143.4 secs Computing kpt #: 64 total cpu time spent up to now is 146.0 secs Computing kpt #: 65 total cpu time spent up to now is 148.7 secs Computing kpt #: 66 total cpu time spent up to now is 150.8 secs Computing kpt #: 67 total cpu time spent up to now is 152.8 secs Computing kpt #: 68 total cpu time spent up to now is 154.3 secs Computing kpt #: 69 total cpu time spent up to now is 155.6 secs Computing kpt #: 70 total cpu time spent up to now is 157.9 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.9 secs Computing kpt #: 72 total cpu time spent up to now is 164.9 secs Computing kpt #: 73 total cpu time spent up to now is 168.7 secs Computing kpt #: 74 total cpu time spent up to now is 170.9 secs Computing kpt #: 75 total cpu time spent up to now is 172.7 secs Computing kpt #: 76 total cpu time spent up to now is 174.1 secs Computing kpt #: 77 total cpu time spent up to now is 178.4 secs Computing kpt #: 78 total cpu time spent up to now is 179.9 secs Computing kpt #: 79 total cpu time spent up to now is 181.7 secs Computing kpt #: 80 total cpu time spent up to now is 183.2 secs Computing kpt #: 81 total cpu time spent up to now is 184.9 secs Computing kpt #: 82 total cpu time spent up to now is 186.5 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 191.2 secs Computing kpt #: 85 total cpu time spent up to now is 192.2 secs Computing kpt #: 86 total cpu time spent up to now is 193.5 secs Computing kpt #: 87 total cpu time spent up to now is 194.4 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 196.4 secs Computing kpt #: 90 total cpu time spent up to now is 197.4 secs Computing kpt #: 91 total cpu time spent up to now is 198.7 secs Computing kpt #: 92 total cpu time spent up to now is 199.9 secs Computing kpt #: 93 total cpu time spent up to now is 201.0 secs Computing kpt #: 94 total cpu time spent up to now is 203.4 secs Computing kpt #: 95 total cpu time spent up to now is 204.3 secs Computing kpt #: 96 total cpu time spent up to now is 205.3 secs Computing kpt #: 97 total cpu time spent up to now is 206.6 secs Computing kpt #: 98 total cpu time spent up to now is 207.9 secs Computing kpt #: 99 total cpu time spent up to now is 209.0 secs Computing kpt #: 100 total cpu time spent up to now is 210.0 secs Computing kpt #: 101 total cpu time spent up to now is 211.0 secs Computing kpt #: 102 total cpu time spent up to now is 212.1 secs Computing kpt #: 103 total cpu time spent up to now is 213.1 secs Computing kpt #: 104 total cpu time spent up to now is 214.3 secs Computing kpt #: 105 total cpu time spent up to now is 215.5 secs Computing kpt #: 106 total cpu time spent up to now is 217.3 secs Computing kpt #: 107 total cpu time spent up to now is 218.6 secs Computing kpt #: 108 total cpu time spent up to now is 219.7 secs Computing kpt #: 109 total cpu time spent up to now is 220.9 secs Computing kpt #: 110 total cpu time spent up to now is 221.8 secs Computing kpt #: 111 total cpu time spent up to now is 223.0 secs Computing kpt #: 112 total cpu time spent up to now is 224.7 secs Computing kpt #: 113 total cpu time spent up to now is 227.3 secs Computing kpt #: 114 total cpu time spent up to now is 228.4 secs Computing kpt #: 115 total cpu time spent up to now is 229.3 secs Computing kpt #: 116 total cpu time spent up to now is 230.5 secs Computing kpt #: 117 total cpu time spent up to now is 231.5 secs Computing kpt #: 118 total cpu time spent up to now is 232.6 secs Computing kpt #: 119 total cpu time spent up to now is 234.1 secs Computing kpt #: 120 total cpu time spent up to now is 236.0 secs Computing kpt #: 121 total cpu time spent up to now is 237.3 secs Computing kpt #: 122 total cpu time spent up to now is 239.2 secs Computing kpt #: 123 total cpu time spent up to now is 240.7 secs Computing kpt #: 124 total cpu time spent up to now is 242.4 secs Computing kpt #: 125 total cpu time spent up to now is 243.7 secs Computing kpt #: 126 total cpu time spent up to now is 245.9 secs Computing kpt #: 127 total cpu time spent up to now is 246.9 secs Computing kpt #: 128 total cpu time spent up to now is 248.3 secs Computing kpt #: 129 total cpu time spent up to now is 251.2 secs Computing kpt #: 130 total cpu time spent up to now is 253.3 secs Computing kpt #: 131 total cpu time spent up to now is 257.0 secs Computing kpt #: 132 total cpu time spent up to now is 258.4 secs Computing kpt #: 133 total cpu time spent up to now is 259.5 secs Computing kpt #: 134 total cpu time spent up to now is 260.7 secs Computing kpt #: 135 total cpu time spent up to now is 262.5 secs Computing kpt #: 136 total cpu time spent up to now is 264.3 secs Computing kpt #: 137 total cpu time spent up to now is 267.1 secs Computing kpt #: 138 total cpu time spent up to now is 269.6 secs Computing kpt #: 139 total cpu time spent up to now is 271.2 secs Computing kpt #: 140 total cpu time spent up to now is 272.8 secs Computing kpt #: 141 total cpu time spent up to now is 274.4 secs Computing kpt #: 142 total cpu time spent up to now is 276.3 secs Computing kpt #: 143 total cpu time spent up to now is 277.5 secs Computing kpt #: 144 total cpu time spent up to now is 279.1 secs Computing kpt #: 145 total cpu time spent up to now is 280.6 secs Computing kpt #: 146 total cpu time spent up to now is 281.8 secs Computing kpt #: 147 total cpu time spent up to now is 282.8 secs Computing kpt #: 148 total cpu time spent up to now is 283.8 secs Computing kpt #: 149 total cpu time spent up to now is 284.9 secs Computing kpt #: 150 total cpu time spent up to now is 285.9 secs Computing kpt #: 151 total cpu time spent up to now is 287.0 secs Computing kpt #: 152 total cpu time spent up to now is 288.2 secs Computing kpt #: 153 total cpu time spent up to now is 289.4 secs Computing kpt #: 154 total cpu time spent up to now is 291.6 secs Computing kpt #: 155 total cpu time spent up to now is 293.3 secs Computing kpt #: 156 total cpu time spent up to now is 294.9 secs Computing kpt #: 157 total cpu time spent up to now is 296.4 secs Computing kpt #: 158 total cpu time spent up to now is 298.7 secs Computing kpt #: 159 total cpu time spent up to now is 299.9 secs Computing kpt #: 160 total cpu time spent up to now is 301.0 secs Computing kpt #: 161 total cpu time spent up to now is 302.4 secs Computing kpt #: 162 total cpu time spent up to now is 303.7 secs Computing kpt #: 163 total cpu time spent up to now is 305.5 secs Computing kpt #: 164 total cpu time spent up to now is 306.8 secs Computing kpt #: 165 total cpu time spent up to now is 308.3 secs Computing kpt #: 166 total cpu time spent up to now is 309.2 secs Computing kpt #: 167 total cpu time spent up to now is 310.1 secs Computing kpt #: 168 total cpu time spent up to now is 312.2 secs Computing kpt #: 169 total cpu time spent up to now is 313.6 secs Computing kpt #: 170 total cpu time spent up to now is 314.6 secs Computing kpt #: 171 total cpu time spent up to now is 318.0 secs Computing kpt #: 172 total cpu time spent up to now is 318.9 secs Computing kpt #: 173 total cpu time spent up to now is 319.8 secs Computing kpt #: 174 total cpu time spent up to now is 320.7 secs Computing kpt #: 175 total cpu time spent up to now is 321.6 secs Computing kpt #: 176 total cpu time spent up to now is 322.4 secs Computing kpt #: 177 total cpu time spent up to now is 323.3 secs Computing kpt #: 178 total cpu time spent up to now is 324.3 secs Computing kpt #: 179 total cpu time spent up to now is 325.2 secs Computing kpt #: 180 total cpu time spent up to now is 326.2 secs Computing kpt #: 181 total cpu time spent up to now is 327.3 secs Computing kpt #: 182 total cpu time spent up to now is 328.2 secs Computing kpt #: 183 total cpu time spent up to now is 329.3 secs Computing kpt #: 184 total cpu time spent up to now is 330.8 secs Computing kpt #: 185 total cpu time spent up to now is 332.1 secs Computing kpt #: 186 total cpu time spent up to now is 334.2 secs Computing kpt #: 187 total cpu time spent up to now is 336.3 secs Computing kpt #: 188 total cpu time spent up to now is 337.9 secs Computing kpt #: 189 total cpu time spent up to now is 339.5 secs Computing kpt #: 190 total cpu time spent up to now is 340.2 secs Computing kpt #: 191 total cpu time spent up to now is 341.0 secs Computing kpt #: 192 total cpu time spent up to now is 342.9 secs Computing kpt #: 193 total cpu time spent up to now is 344.7 secs Computing kpt #: 194 total cpu time spent up to now is 346.9 secs Computing kpt #: 195 total cpu time spent up to now is 349.8 secs Computing kpt #: 196 total cpu time spent up to now is 351.4 secs Computing kpt #: 197 total cpu time spent up to now is 354.0 secs Computing kpt #: 198 total cpu time spent up to now is 355.9 secs Computing kpt #: 199 total cpu time spent up to now is 356.7 secs Computing kpt #: 200 total cpu time spent up to now is 357.6 secs Computing kpt #: 201 total cpu time spent up to now is 358.4 secs Computing kpt #: 202 total cpu time spent up to now is 359.3 secs Computing kpt #: 203 total cpu time spent up to now is 360.3 secs Computing kpt #: 204 total cpu time spent up to now is 361.2 secs Computing kpt #: 205 total cpu time spent up to now is 362.2 secs Computing kpt #: 206 total cpu time spent up to now is 365.5 secs Computing kpt #: 207 total cpu time spent up to now is 367.0 secs Computing kpt #: 208 total cpu time spent up to now is 368.4 secs Computing kpt #: 209 total cpu time spent up to now is 370.3 secs Computing kpt #: 210 total cpu time spent up to now is 372.4 secs Computing kpt #: 211 total cpu time spent up to now is 374.6 secs Computing kpt #: 212 total cpu time spent up to now is 377.3 secs Computing kpt #: 213 total cpu time spent up to now is 378.4 secs Computing kpt #: 214 total cpu time spent up to now is 379.5 secs Computing kpt #: 215 total cpu time spent up to now is 380.7 secs Computing kpt #: 216 total cpu time spent up to now is 381.8 secs Computing kpt #: 217 total cpu time spent up to now is 382.9 secs Computing kpt #: 218 total cpu time spent up to now is 384.0 secs Computing kpt #: 219 total cpu time spent up to now is 385.1 secs Computing kpt #: 220 total cpu time spent up to now is 386.5 secs Computing kpt #: 221 total cpu time spent up to now is 389.2 secs Computing kpt #: 222 total cpu time spent up to now is 390.3 secs Computing kpt #: 223 total cpu time spent up to now is 391.3 secs Computing kpt #: 224 total cpu time spent up to now is 392.4 secs Computing kpt #: 225 total cpu time spent up to now is 393.4 secs Computing kpt #: 226 total cpu time spent up to now is 394.5 secs Computing kpt #: 227 total cpu time spent up to now is 395.6 secs Computing kpt #: 228 total cpu time spent up to now is 396.6 secs Computing kpt #: 229 total cpu time spent up to now is 397.8 secs Computing kpt #: 230 total cpu time spent up to now is 398.8 secs Computing kpt #: 231 total cpu time spent up to now is 399.9 secs Computing kpt #: 232 total cpu time spent up to now is 401.3 secs Computing kpt #: 233 total cpu time spent up to now is 402.6 secs Computing kpt #: 234 total cpu time spent up to now is 403.8 secs Computing kpt #: 235 total cpu time spent up to now is 405.1 secs Computing kpt #: 236 total cpu time spent up to now is 406.2 secs Computing kpt #: 237 total cpu time spent up to now is 407.1 secs Computing kpt #: 238 total cpu time spent up to now is 408.1 secs Computing kpt #: 239 total cpu time spent up to now is 409.1 secs Computing kpt #: 240 total cpu time spent up to now is 410.2 secs Computing kpt #: 241 total cpu time spent up to now is 411.6 secs Computing kpt #: 242 total cpu time spent up to now is 414.0 secs Computing kpt #: 243 total cpu time spent up to now is 415.9 secs Computing kpt #: 244 total cpu time spent up to now is 418.0 secs Computing kpt #: 245 total cpu time spent up to now is 419.7 secs Computing kpt #: 246 total cpu time spent up to now is 421.5 secs Computing kpt #: 247 total cpu time spent up to now is 422.4 secs Computing kpt #: 248 total cpu time spent up to now is 423.2 secs Computing kpt #: 249 total cpu time spent up to now is 424.2 secs Computing kpt #: 250 total cpu time spent up to now is 426.6 secs Computing kpt #: 251 total cpu time spent up to now is 428.2 secs Computing kpt #: 252 total cpu time spent up to now is 429.8 secs Computing kpt #: 253 total cpu time spent up to now is 432.0 secs Computing kpt #: 254 total cpu time spent up to now is 434.7 secs Computing kpt #: 255 total cpu time spent up to now is 437.3 secs Computing kpt #: 256 total cpu time spent up to now is 438.2 secs Computing kpt #: 257 total cpu time spent up to now is 439.2 secs Computing kpt #: 258 total cpu time spent up to now is 440.1 secs Computing kpt #: 259 total cpu time spent up to now is 442.0 secs Computing kpt #: 260 total cpu time spent up to now is 443.3 secs Computing kpt #: 261 total cpu time spent up to now is 444.5 secs Computing kpt #: 262 total cpu time spent up to now is 445.7 secs Computing kpt #: 263 total cpu time spent up to now is 448.5 secs Computing kpt #: 264 total cpu time spent up to now is 450.6 secs Computing kpt #: 265 total cpu time spent up to now is 452.6 secs Computing kpt #: 266 total cpu time spent up to now is 454.1 secs Computing kpt #: 267 total cpu time spent up to now is 455.1 secs Computing kpt #: 268 total cpu time spent up to now is 456.1 secs Computing kpt #: 269 total cpu time spent up to now is 456.9 secs Computing kpt #: 270 total cpu time spent up to now is 458.1 secs Computing kpt #: 271 total cpu time spent up to now is 460.1 secs Computing kpt #: 272 total cpu time spent up to now is 461.9 secs Computing kpt #: 273 total cpu time spent up to now is 463.3 secs Computing kpt #: 274 total cpu time spent up to now is 464.4 secs Computing kpt #: 275 total cpu time spent up to now is 467.5 secs Computing kpt #: 276 total cpu time spent up to now is 469.0 secs Computing kpt #: 277 total cpu time spent up to now is 470.0 secs Computing kpt #: 278 total cpu time spent up to now is 471.6 secs Computing kpt #: 279 total cpu time spent up to now is 472.4 secs Computing kpt #: 280 total cpu time spent up to now is 473.3 secs Computing kpt #: 281 total cpu time spent up to now is 474.2 secs Computing kpt #: 282 total cpu time spent up to now is 475.0 secs Computing kpt #: 283 total cpu time spent up to now is 476.0 secs Computing kpt #: 284 total cpu time spent up to now is 477.6 secs Computing kpt #: 285 total cpu time spent up to now is 478.9 secs Computing kpt #: 286 total cpu time spent up to now is 480.1 secs Computing kpt #: 287 total cpu time spent up to now is 481.6 secs Computing kpt #: 288 total cpu time spent up to now is 483.5 secs Computing kpt #: 289 total cpu time spent up to now is 484.8 secs Computing kpt #: 290 total cpu time spent up to now is 487.0 secs Computing kpt #: 291 total cpu time spent up to now is 488.1 secs Computing kpt #: 292 total cpu time spent up to now is 489.1 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.8 secs Computing kpt #: 294 total cpu time spent up to now is 494.9 secs Computing kpt #: 295 total cpu time spent up to now is 497.6 secs Computing kpt #: 296 total cpu time spent up to now is 500.0 secs Computing kpt #: 297 total cpu time spent up to now is 503.0 secs Computing kpt #: 298 total cpu time spent up to now is 504.7 secs Computing kpt #: 299 total cpu time spent up to now is 506.4 secs Computing kpt #: 300 total cpu time spent up to now is 510.1 secs Computing kpt #: 301 total cpu time spent up to now is 512.1 secs Computing kpt #: 302 total cpu time spent up to now is 514.0 secs Computing kpt #: 303 total cpu time spent up to now is 515.4 secs Computing kpt #: 304 total cpu time spent up to now is 516.8 secs Computing kpt #: 305 total cpu time spent up to now is 518.4 secs Computing kpt #: 306 total cpu time spent up to now is 519.9 secs Computing kpt #: 307 total cpu time spent up to now is 521.6 secs Computing kpt #: 308 total cpu time spent up to now is 524.4 secs Computing kpt #: 309 total cpu time spent up to now is 525.8 secs Computing kpt #: 310 total cpu time spent up to now is 527.2 secs Computing kpt #: 311 total cpu time spent up to now is 530.4 secs Computing kpt #: 312 total cpu time spent up to now is 531.7 secs Computing kpt #: 313 total cpu time spent up to now is 534.7 secs Computing kpt #: 314 total cpu time spent up to now is 537.0 secs Computing kpt #: 315 total cpu time spent up to now is 538.9 secs Computing kpt #: 316 total cpu time spent up to now is 543.4 secs ethr = 2.78E-11, avg # of iterations = 26.7 total cpu time spent up to now is 543.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -7.5851 -7.5851 -7.5439 -7.5439 -7.5398 -7.5398 -7.5299 -7.5299 -6.7939 -6.7939 -6.7560 -6.7560 -6.6961 -6.6961 -6.6694 -6.6694 -6.6620 -6.6620 -6.6153 -6.6153 -4.8356 -4.8356 -3.1424 -3.1424 1.3602 1.3602 6.1802 6.1802 6.4389 6.4389 7.2097 7.2097 7.5422 7.5422 7.6030 7.6030 7.6836 7.6836 8.2614 8.2614 10.9775 10.9775 11.3766 11.3766 k = 0.0114 0.0066-0.0000 ( 3044 PWs) bands (ev): -7.5879 -7.5824 -7.5439 -7.5439 -7.5401 -7.5395 -7.5298 -7.5298 -6.7992 -6.7887 -6.7563 -6.7558 -6.6975 -6.6946 -6.6695 -6.6693 -6.6620 -6.6620 -6.6154 -6.6154 -4.8342 -4.8342 -3.1421 -3.1409 1.3600 1.3619 6.1697 6.1741 6.4293 6.4295 7.1846 7.2067 7.4635 7.5297 7.5608 7.5808 7.7584 7.7809 8.2741 8.2776 10.9768 10.9793 11.3752 11.3753 k = 0.0227 0.0131-0.0000 ( 3062 PWs) bands (ev): -7.5908 -7.5800 -7.5439 -7.5439 -7.5404 -7.5392 -7.5296 -7.5296 -6.8045 -6.7835 -6.7567 -6.7558 -6.6989 -6.6930 -6.6696 -6.6691 -6.6621 -6.6621 -6.6155 -6.6155 -4.8301 -4.8301 -3.1399 -3.1376 1.3612 1.3651 6.1413 6.1504 6.4028 6.4037 7.1270 7.1663 7.3724 7.4458 7.5599 7.5689 7.8846 7.9065 8.3146 8.3211 10.9768 10.9819 11.3716 11.3718 k = 0.0341 0.0197-0.0000 ( 3080 PWs) bands (ev): -7.5938 -7.5778 -7.5439 -7.5439 -7.5407 -7.5388 -7.5294 -7.5292 -6.8097 -6.7784 -6.7573 -6.7558 -6.7002 -6.6915 -6.6696 -6.6689 -6.6623 -6.6622 -6.6156 -6.6156 -4.8233 -4.8233 -3.1359 -3.1324 1.3638 1.3697 6.0927 6.1067 6.3656 6.3681 7.0339 7.0742 7.3178 7.3875 7.5536 7.5576 8.0145 8.0346 8.3794 8.3879 10.9765 10.9848 11.3668 11.3676 k = 0.0455 0.0262-0.0000 ( 3088 PWs) bands (ev): -7.5969 -7.5758 -7.5440 -7.5439 -7.5410 -7.5384 -7.5291 -7.5285 -6.8149 -6.7734 -6.7579 -6.7559 -6.7014 -6.6899 -6.6696 -6.6688 -6.6626 -6.6624 -6.6159 -6.6158 -4.8138 -4.8137 -3.1301 -3.1255 1.3679 1.3758 6.0224 6.0408 6.3247 6.3288 6.9149 6.9484 7.2884 7.3489 7.5432 7.5441 8.1432 8.1614 8.4639 8.4730 10.9748 10.9868 11.3629 11.3647 k = 0.0568 0.0328-0.0000 ( 3084 PWs) bands (ev): -7.6000 -7.5741 -7.5441 -7.5440 -7.5413 -7.5380 -7.5287 -7.5276 -6.8200 -6.7685 -6.7586 -6.7560 -6.7025 -6.6883 -6.6695 -6.6686 -6.6630 -6.6625 -6.6161 -6.6161 -4.8017 -4.8015 -3.1224 -3.1167 1.3734 1.3833 5.9322 5.9538 6.2839 6.2892 6.7815 6.8090 7.2660 7.3195 7.5279 7.5291 8.2690 8.2851 8.5632 8.5714 10.9706 10.9866 11.3624 11.3657 k = 0.0682 0.0394-0.0000 ( 3090 PWs) bands (ev): -7.6031 -7.5728 -7.5443 -7.5441 -7.5417 -7.5376 -7.5282 -7.5264 -6.8251 -6.7640 -6.7592 -6.7563 -6.7035 -6.6867 -6.6694 -6.6686 -6.6635 -6.6626 -6.6165 -6.6163 -4.7869 -4.7866 -3.1130 -3.1063 1.3801 1.3920 5.8260 5.8497 6.2439 6.2496 6.6405 6.6637 7.2439 7.2931 7.5086 7.5114 8.3910 8.4046 8.6725 8.6782 10.9632 10.9831 11.3681 11.3728 k = 0.0795 0.0459-0.0000 ( 3090 PWs) bands (ev): -7.6062 -7.5717 -7.5445 -7.5443 -7.5421 -7.5371 -7.5276 -7.5249 -6.8301 -6.7619 -6.7577 -6.7566 -6.7045 -6.6851 -6.6693 -6.6686 -6.6640 -6.6625 -6.6168 -6.6167 -4.7694 -4.7690 -3.1017 -3.0941 1.3881 1.4021 5.7082 5.7331 6.2034 6.2094 6.4952 6.5156 7.2200 7.2669 7.4864 7.4904 8.5087 8.5195 8.7875 8.7894 10.9533 10.9764 11.3816 11.3873 k = 0.0909 0.0525-0.0000 ( 3104 PWs) bands (ev): -7.6093 -7.5708 -7.5448 -7.5446 -7.5426 -7.5366 -7.5270 -7.5231 -6.8350 -6.7626 -6.7569 -6.7536 -6.7053 -6.6836 -6.6692 -6.6687 -6.6645 -6.6623 -6.6173 -6.6170 -4.7494 -4.7489 -3.0888 -3.0803 1.3972 1.4133 5.5823 5.6081 6.1615 6.1676 6.3476 6.3660 7.1935 7.2393 7.4611 7.4661 8.6218 8.6293 8.9008 8.9042 10.9428 10.9679 11.4037 11.4094 k = 0.1023 0.0590-0.0000 ( 3108 PWs) bands (ev): -7.6123 -7.5703 -7.5451 -7.5451 -7.5429 -7.5360 -7.5264 -7.5211 -6.8397 -6.7640 -6.7573 -6.7493 -6.7060 -6.6821 -6.6691 -6.6688 -6.6649 -6.6620 -6.6177 -6.6173 -4.7269 -4.7261 -3.0742 -3.0648 1.4074 1.4255 5.4513 5.4775 6.1164 6.1231 6.1996 6.2169 7.1641 7.2096 7.4330 7.4386 8.7301 8.7339 9.0089 9.0189 10.9346 10.9602 11.4338 11.4384 k = 0.1136 0.0656-0.0000 ( 3108 PWs) bands (ev): -7.6153 -7.5699 -7.5458 -7.5455 -7.5431 -7.5355 -7.5256 -7.5189 -6.8443 -6.7655 -6.7577 -6.7450 -6.7066 -6.6808 -6.6691 -6.6689 -6.6652 -6.6615 -6.6182 -6.6177 -4.7018 -4.7008 -3.0580 -3.0478 1.4184 1.4387 5.3171 5.3435 6.0414 6.0465 6.0860 6.0903 7.1317 7.1775 7.4021 7.4081 8.8331 8.8333 9.1102 9.1280 10.9320 10.9567 11.4708 11.4730 k = 0.1250 0.0722-0.0000 ( 3112 PWs) bands (ev): -7.6182 -7.5698 -7.5468 -7.5460 -7.5432 -7.5349 -7.5248 -7.5167 -6.8488 -6.7673 -6.7581 -6.7409 -6.7071 -6.6797 -6.6693 -6.6690 -6.6653 -6.6609 -6.6187 -6.6180 -4.6744 -4.6731 -3.0402 -3.0294 1.4302 1.4527 5.1815 5.2079 5.8940 5.9049 6.0334 6.0360 7.0961 7.1427 7.3686 7.3749 8.9266 8.9313 9.2014 9.2285 10.9383 10.9608 11.5117 11.5130 k = 0.1364 0.0787-0.0000 ( 3112 PWs) bands (ev): -7.6210 -7.5699 -7.5479 -7.5465 -7.5432 -7.5344 -7.5240 -7.5143 -6.8530 -6.7692 -6.7585 -6.7371 -6.7075 -6.6789 -6.6696 -6.6689 -6.6652 -6.6602 -6.6193 -6.6184 -4.6445 -4.6429 -3.0209 -3.0095 1.4426 1.4673 5.0455 5.0719 5.7436 5.7542 5.9843 5.9876 7.0575 7.1051 7.3327 7.3390 9.0139 9.0239 9.2799 9.3174 10.9566 10.9755 11.5528 11.5592 k = 0.1477 0.0853-0.0000 ( 3120 PWs) bands (ev): -7.6237 -7.5701 -7.5491 -7.5470 -7.5431 -7.5338 -7.5231 -7.5119 -6.8571 -6.7713 -6.7589 -6.7335 -6.7078 -6.6784 -6.6700 -6.6686 -6.6649 -6.6594 -6.6198 -6.6187 -4.6123 -4.6104 -3.0002 -2.9883 1.4554 1.4824 4.9105 4.9367 5.5930 5.6027 5.9348 5.9383 7.0158 7.0647 7.2947 7.3008 9.0947 9.1110 9.3434 9.3928 10.9886 11.0033 11.5945 11.6077 k = 0.1591 0.0919-0.0000 ( 3120 PWs) bands (ev): -7.6263 -7.5706 -7.5504 -7.5477 -7.5430 -7.5332 -7.5222 -7.5095 -6.8610 -6.7735 -6.7593 -6.7302 -6.7080 -6.6782 -6.6704 -6.6680 -6.6644 -6.6585 -6.6204 -6.6189 -4.5778 -4.5755 -2.9782 -2.9659 1.4683 1.4976 4.7771 4.8031 5.4428 5.4515 5.8847 5.8881 6.9712 7.0214 7.2547 7.2605 9.1685 9.1926 9.3911 9.4536 11.0350 11.0447 11.6348 11.6570 k = 0.1705 0.0984-0.0000 ( 3116 PWs) bands (ev): -7.6288 -7.5712 -7.5517 -7.5483 -7.5428 -7.5326 -7.5213 -7.5071 -6.8646 -6.7758 -6.7596 -6.7272 -6.7081 -6.6784 -6.6708 -6.6672 -6.6637 -6.6576 -6.6210 -6.6192 -4.5411 -4.5384 -2.9550 -2.9424 1.4811 1.5127 4.6462 4.6720 5.2934 5.3008 5.8339 5.8373 6.9236 6.9752 7.2131 7.2185 9.2343 9.2686 9.4233 9.5006 11.0946 11.0991 11.6716 11.7057 k = 0.1818 0.1050-0.0000 ( 3116 PWs) bands (ev): -7.6312 -7.5721 -7.5530 -7.5490 -7.5426 -7.5321 -7.5203 -7.5048 -6.8680 -6.7783 -6.7599 -6.7246 -6.7080 -6.6787 -6.6710 -6.6662 -6.6630 -6.6565 -6.6215 -6.6193 -4.5023 -4.4992 -2.9307 -2.9179 1.4935 1.5275 4.5186 4.5441 5.1451 5.1511 5.7828 5.7861 6.8731 6.9260 7.1702 7.1752 9.2911 9.3389 9.4414 9.5360 11.1635 11.1649 11.7024 11.7520 k = 0.1932 0.1115-0.0000 ( 3122 PWs) bands (ev): -7.6335 -7.5731 -7.5543 -7.5497 -7.5424 -7.5315 -7.5193 -7.5026 -6.8712 -6.7810 -6.7601 -6.7223 -6.7079 -6.6792 -6.6711 -6.6652 -6.6621 -6.6555 -6.6221 -6.6195 -4.4614 -4.4578 -2.9055 -2.8925 1.5052 1.5416 4.3948 4.4201 4.9981 5.0026 5.7316 5.7348 6.8198 6.8739 7.1263 7.1308 9.3369 9.4034 9.4477 9.5635 11.2333 11.2419 11.7253 11.7941 k = 0.2045 0.1181-0.0000 ( 3130 PWs) bands (ev): -7.6356 -7.5744 -7.5556 -7.5505 -7.5422 -7.5310 -7.5183 -7.5006 -6.8741 -6.7837 -6.7603 -6.7205 -6.7076 -6.6799 -6.6710 -6.6642 -6.6612 -6.6544 -6.6226 -6.6195 -4.4186 -4.4145 -2.8794 -2.8664 1.5159 1.5546 4.2755 4.3007 4.8528 4.8556 5.6804 5.6835 6.7638 6.8189 7.0817 7.0858 9.3699 9.4427 9.4639 9.5876 11.3028 11.3206 11.7408 11.8309 k = 0.2159 0.1247-0.0000 ( 3126 PWs) bands (ev): -7.6377 -7.5759 -7.5567 -7.5513 -7.5419 -7.5305 -7.5173 -7.4986 -6.8767 -6.7866 -6.7604 -6.7191 -6.7072 -6.6805 -6.6708 -6.6632 -6.6601 -6.6533 -6.6232 -6.6195 -4.3738 -4.3692 -2.8527 -2.8397 1.5251 1.5662 4.1612 4.1864 4.7095 4.7103 5.6297 5.6326 6.7051 6.7611 7.0369 7.0405 9.3886 9.4323 9.5168 9.6120 11.3649 11.3948 11.7520 11.8638 k = 0.2273 0.1312-0.0000 ( 3130 PWs) bands (ev): -7.6396 -7.5776 -7.5578 -7.5521 -7.5415 -7.5301 -7.5163 -7.4968 -6.8791 -6.7895 -6.7604 -6.7182 -6.7067 -6.6812 -6.6703 -6.6622 -6.6590 -6.6523 -6.6237 -6.6194 -4.3272 -4.3221 -2.8254 -2.8126 1.5325 1.5759 4.0524 4.0779 4.5672 4.5688 5.5795 5.5823 6.6440 6.7005 6.9921 6.9954 9.3942 9.4158 9.5649 9.6380 11.4134 11.4572 11.7653 11.8971 k = 0.2386 0.1378-0.0000 ( 3130 PWs) bands (ev): -7.6413 -7.5796 -7.5588 -7.5529 -7.5412 -7.5296 -7.5152 -7.4951 -6.8812 -6.7925 -6.7604 -6.7176 -6.7062 -6.6820 -6.6697 -6.6613 -6.6577 -6.6512 -6.6241 -6.6192 -4.2789 -4.2733 -2.7979 -2.7852 1.5376 1.5833 3.9493 3.9755 4.4268 4.4312 5.5300 5.5328 6.5804 6.6372 6.9476 6.9506 9.3891 9.3954 9.6076 9.6648 11.4448 11.5004 11.7875 11.9345 k = 0.2500 0.1443-0.0000 ( 3142 PWs) bands (ev): -7.6429 -7.5817 -7.5596 -7.5537 -7.5408 -7.5292 -7.5142 -7.4935 -6.8830 -6.7956 -6.7603 -6.7174 -6.7056 -6.6827 -6.6690 -6.6604 -6.6564 -6.6502 -6.6246 -6.6189 -4.2290 -4.2229 -2.7703 -2.7579 1.5402 1.5880 3.8520 3.8794 4.2897 4.2974 5.4815 5.4841 6.5148 6.5716 6.9037 6.9065 9.3724 9.3765 9.6451 9.6908 11.4595 11.5214 11.8212 11.9750 k = 0.2614 0.1509-0.0000 ( 3126 PWs) bands (ev): -7.6444 -7.5840 -7.5604 -7.5545 -7.5404 -7.5288 -7.5132 -7.4922 -6.8845 -6.7988 -6.7600 -6.7174 -6.7050 -6.6834 -6.6681 -6.6595 -6.6550 -6.6493 -6.6249 -6.6185 -4.1777 -4.1711 -2.7429 -2.7308 1.5398 1.5896 3.7602 3.7894 4.1571 4.1688 5.4342 5.4366 6.4472 6.5037 6.8606 6.8632 9.3478 9.3590 9.6775 9.7147 11.4608 11.5240 11.8625 12.0146 k = 0.2727 0.1575-0.0000 ( 3122 PWs) bands (ev): -7.6457 -7.5865 -7.5611 -7.5553 -7.5400 -7.5285 -7.5121 -7.4909 -6.8858 -6.8020 -6.7597 -6.7177 -6.7044 -6.6842 -6.6672 -6.6586 -6.6536 -6.6484 -6.6252 -6.6181 -4.1249 -4.1178 -2.7159 -2.7041 1.5363 1.5877 3.6729 3.7047 4.0305 4.0468 5.3881 5.3904 6.3780 6.4340 6.8185 6.8211 9.3223 9.3383 9.7050 9.7360 11.4528 11.5146 11.9058 12.0495 k = 0.2841 0.1640-0.0000 ( 3118 PWs) bands (ev): -7.6469 -7.5891 -7.5618 -7.5561 -7.5395 -7.5282 -7.5111 -7.4899 -6.8868 -6.8052 -6.7593 -6.7182 -6.7037 -6.6849 -6.6661 -6.6578 -6.6521 -6.6476 -6.6255 -6.6176 -4.0709 -4.0634 -2.6895 -2.6781 1.5295 1.5823 3.5882 3.6231 3.9127 3.9340 5.3435 5.3456 6.3073 6.3626 6.7777 6.7802 9.2966 9.3157 9.7280 9.7540 11.4385 11.4979 11.9476 12.0780 k = 0.2955 0.1706-0.0000 ( 3118 PWs) bands (ev): -7.6479 -7.5919 -7.5623 -7.5569 -7.5391 -7.5279 -7.5100 -7.4890 -6.8875 -6.8085 -6.7589 -6.7189 -6.7032 -6.6856 -6.6651 -6.6570 -6.6506 -6.6469 -6.6256 -6.6170 -4.0159 -4.0079 -2.6640 -2.6531 1.5193 1.5731 3.5033 3.5409 3.8080 3.8338 5.3004 5.3024 6.2357 6.2900 6.7382 6.7407 9.2710 9.2921 9.7467 9.7689 11.4202 11.4766 11.9863 12.1006 k = 0.3068 0.1771-0.0000 ( 3114 PWs) bands (ev): -7.6488 -7.5947 -7.5629 -7.5577 -7.5386 -7.5277 -7.5090 -7.4883 -6.8880 -6.8118 -6.7583 -6.7197 -6.7026 -6.6862 -6.6640 -6.6563 -6.6492 -6.6463 -6.6257 -6.6164 -3.9599 -3.9515 -2.6397 -2.6293 1.5060 1.5604 3.4151 3.4532 3.7215 3.7494 5.2590 5.2609 6.1633 6.2164 6.7002 6.7028 9.2458 9.2681 9.7615 9.7805 11.3993 11.4526 12.0216 12.1181 k = 0.3182 0.1837-0.0000 ( 3122 PWs) bands (ev): -7.6495 -7.5976 -7.5633 -7.5585 -7.5381 -7.5275 -7.5079 -7.4877 -6.8882 -6.8151 -6.7577 -6.7206 -6.7020 -6.6869 -6.6629 -6.6556 -6.6478 -6.6457 -6.6256 -6.6158 -3.9033 -3.8945 -2.6169 -2.6069 1.4899 1.5445 3.3217 3.3575 3.6560 3.6829 5.2194 5.2211 6.0906 6.1424 6.6638 6.6665 9.2214 9.2442 9.7727 9.7892 11.3768 11.4268 12.0532 12.1315 k = 0.3295 0.1903-0.0000 ( 3124 PWs) bands (ev): -7.6501 -7.6005 -7.5638 -7.5593 -7.5376 -7.5273 -7.5069 -7.4872 -6.8881 -6.8184 -6.7569 -6.7216 -6.7015 -6.6875 -6.6618 -6.6549 -6.6466 -6.6453 -6.6254 -6.6152 -3.8461 -3.8371 -2.5959 -2.5864 1.4716 1.5258 3.2234 3.2550 3.6100 3.6338 5.1818 5.1833 6.0180 6.0682 6.6292 6.6318 9.1979 9.2207 9.7807 9.7953 11.3535 11.4001 12.0804 12.1415 k = 0.3409 0.1968-0.0000 ( 3134 PWs) bands (ev): -7.6505 -7.6034 -7.5642 -7.5600 -7.5371 -7.5272 -7.5059 -7.4869 -6.8878 -6.8218 -6.7562 -6.7226 -6.7009 -6.6882 -6.6608 -6.6542 -6.6455 -6.6449 -6.6250 -6.6145 -3.7887 -3.7794 -2.5770 -2.5679 1.4516 1.5050 3.1222 3.1491 3.5799 3.5999 5.1461 5.1474 5.9458 5.9943 6.5965 6.5991 9.1754 9.1978 9.7861 9.7989 11.3300 11.3731 12.1024 12.1486 k = 0.3523 0.2034-0.0000 ( 3126 PWs) bands (ev): -7.6508 -7.6064 -7.5646 -7.5607 -7.5365 -7.5272 -7.5049 -7.4867 -6.8873 -6.8251 -6.7553 -6.7237 -6.7004 -6.6888 -6.6597 -6.6536 -6.6446 -6.6446 -6.6245 -6.6139 -3.7313 -3.7218 -2.5603 -2.5518 1.4307 1.4829 3.0203 3.0428 3.5624 3.5787 5.1125 5.1137 5.8745 5.9211 6.5656 6.5682 9.1542 9.1758 9.7892 9.8005 11.3068 11.3463 12.1191 12.1533 k = 0.3636 0.2099-0.0000 ( 3122 PWs) bands (ev): -7.6508 -7.6093 -7.5649 -7.5614 -7.5360 -7.5272 -7.5039 -7.4867 -6.8865 -6.8283 -6.7544 -6.7249 -6.6999 -6.6893 -6.6586 -6.6529 -6.6444 -6.6438 -6.6238 -6.6133 -3.6742 -3.6645 -2.5463 -2.5381 1.4098 1.4603 2.9197 2.9383 3.5548 3.5678 5.0811 5.0821 5.8047 5.8491 6.5368 6.5393 9.1342 9.1549 9.7904 9.8004 11.2841 11.3201 12.1309 12.1562 k = 0.3750 0.2165-0.0000 ( 3126 PWs) bands (ev): -7.6508 -7.6122 -7.5652 -7.5620 -7.5355 -7.5272 -7.5028 -7.4868 -6.8856 -6.8316 -6.7534 -6.7261 -6.6994 -6.6899 -6.6576 -6.6523 -6.6442 -6.6433 -6.6230 -6.6128 -3.6177 -3.6081 -2.5349 -2.5272 1.3896 1.4380 2.8216 2.8368 3.5550 3.5652 5.0518 5.0527 5.7367 5.7789 6.5100 6.5124 9.1156 9.1351 9.7900 9.7989 11.2625 11.2950 12.1386 12.1574 k = 0.3864 0.2231-0.0000 ( 3126 PWs) bands (ev): -7.6505 -7.6151 -7.5655 -7.5626 -7.5349 -7.5273 -7.5019 -7.4869 -6.8844 -6.8348 -6.7524 -6.7273 -6.6990 -6.6904 -6.6565 -6.6517 -6.6441 -6.6430 -6.6221 -6.6123 -3.5624 -3.5528 -2.5264 -2.5191 1.3709 1.4167 2.7273 2.7395 3.5616 3.5693 5.0249 5.0256 5.6712 5.7109 6.4854 6.4877 9.0985 9.1166 9.7886 9.7965 11.2420 11.2712 12.1433 12.1575 k = 0.3977 0.2296-0.0000 ( 3126 PWs) bands (ev): -7.6501 -7.6180 -7.5657 -7.5632 -7.5344 -7.5274 -7.5009 -7.4872 -6.8831 -6.8380 -6.7513 -6.7286 -6.6985 -6.6910 -6.6555 -6.6511 -6.6441 -6.6428 -6.6210 -6.6119 -3.5086 -3.4991 -2.5207 -2.5138 1.3543 1.3972 2.6378 2.6474 3.5729 3.5785 5.0003 5.0008 5.6088 5.6458 6.4630 6.4651 9.0829 9.0995 9.7863 9.7933 11.2231 11.2489 12.1459 12.1566 k = 0.4091 0.2362-0.0000 ( 3126 PWs) bands (ev): -7.6496 -7.6207 -7.5659 -7.5637 -7.5338 -7.5275 -7.4999 -7.4875 -6.8816 -6.8412 -6.7502 -6.7299 -6.6981 -6.6915 -6.6545 -6.6505 -6.6441 -6.6427 -6.6200 -6.6116 -3.4568 -3.4477 -2.5179 -2.5113 1.3402 1.3799 2.5539 2.5612 3.5877 3.5915 4.9781 4.9784 5.5502 5.5841 6.4428 6.4447 9.0689 9.0839 9.7836 9.7897 11.2058 11.2285 12.1469 12.1551 k = 0.4205 0.2427-0.0000 ( 3122 PWs) bands (ev): -7.6488 -7.6234 -7.5661 -7.5642 -7.5333 -7.5277 -7.4989 -7.4880 -6.8799 -6.8443 -6.7491 -6.7312 -6.6977 -6.6919 -6.6535 -6.6500 -6.6442 -6.6428 -6.6189 -6.6114 -3.4078 -3.3991 -2.5175 -2.5114 1.3290 1.3651 2.4764 2.4817 3.6047 3.6069 4.9583 4.9585 5.4960 5.5267 6.4249 6.4267 9.0565 9.0698 9.7806 9.7859 11.1905 11.2100 12.1469 12.1533 k = 0.4318 0.2493-0.0000 ( 3114 PWs) bands (ev): -7.6480 -7.6260 -7.5663 -7.5647 -7.5328 -7.5279 -7.4980 -7.4885 -6.8781 -6.8474 -6.7479 -6.7325 -6.6972 -6.6924 -6.6526 -6.6494 -6.6443 -6.6430 -6.6178 -6.6112 -3.3622 -3.3541 -2.5194 -2.5138 1.3209 1.3528 2.4063 2.4100 3.6226 3.6236 4.9410 4.9411 5.4471 5.4742 6.4093 6.4109 9.0458 9.0573 9.7776 9.7821 11.1770 11.1936 12.1464 12.1513 k = 0.4432 0.2559-0.0000 ( 3108 PWs) bands (ev): -7.6469 -7.6286 -7.5664 -7.5650 -7.5323 -7.5282 -7.4970 -7.4890 -6.8761 -6.8504 -6.7467 -6.7338 -6.6968 -6.6928 -6.6517 -6.6489 -6.6445 -6.6432 -6.6168 -6.6112 -3.3209 -3.3137 -2.5229 -2.5179 1.3156 1.3431 2.3445 2.3468 3.6402 3.6404 4.9262 4.9262 5.4042 5.4275 6.3961 6.3974 9.0368 9.0465 9.7748 9.7785 11.1657 11.1794 12.1455 12.1492 k = 0.4545 0.2624-0.0000 ( 3116 PWs) bands (ev): -7.6457 -7.6310 -7.5664 -7.5654 -7.5318 -7.5285 -7.4961 -7.4897 -6.8740 -6.8533 -6.7455 -6.7351 -6.6964 -6.6933 -6.6509 -6.6485 -6.6447 -6.6435 -6.6158 -6.6113 -3.2848 -3.2786 -2.5274 -2.5231 1.3129 1.3356 2.2920 2.2933 3.6561 3.6564 4.9139 4.9139 5.3682 5.3873 6.3853 6.3864 9.0296 9.0374 9.7724 9.7754 11.1566 11.1674 12.1445 12.1473 k = 0.4659 0.2690-0.0000 ( 3116 PWs) bands (ev): -7.6444 -7.6333 -7.5665 -7.5657 -7.5313 -7.5288 -7.4952 -7.4904 -6.8718 -6.8562 -6.7442 -6.7364 -6.6961 -6.6937 -6.6501 -6.6482 -6.6449 -6.6438 -6.6149 -6.6115 -3.2550 -3.2501 -2.5320 -2.5286 1.3124 1.3299 2.2497 2.2503 3.6697 3.6702 4.9043 4.9043 5.3398 5.3545 6.3769 6.3777 9.0242 9.0301 9.7705 9.7727 11.1497 11.1578 12.1437 12.1457 k = 0.4773 0.2756-0.0000 ( 3118 PWs) bands (ev): -7.6429 -7.6355 -7.5665 -7.5659 -7.5308 -7.5291 -7.4943 -7.4911 -6.8694 -6.8590 -6.7429 -6.7377 -6.6957 -6.6941 -6.6494 -6.6480 -6.6450 -6.6442 -6.6141 -6.6118 -3.2324 -3.2290 -2.5360 -2.5336 1.3135 1.3254 2.2186 2.2188 3.6802 3.6807 4.8973 4.8974 5.3198 5.3297 6.3709 6.3715 9.0206 9.0245 9.7691 9.7706 11.1452 11.1505 12.1431 12.1444 k = 0.4886 0.2821-0.0000 ( 3118 PWs) bands (ev): -7.6412 -7.6375 -7.5664 -7.5661 -7.5304 -7.5295 -7.4935 -7.4919 -6.8670 -6.8618 -6.7416 -6.7390 -6.6953 -6.6945 -6.6488 -6.6481 -6.6450 -6.6445 -6.6134 -6.6122 -3.2181 -3.2163 -2.5384 -2.5372 1.3157 1.3217 2.1996 2.1996 3.6869 3.6872 4.8932 4.8932 5.3086 5.3136 6.3674 6.3677 9.0188 9.0208 9.7684 9.7691 11.1430 11.1456 12.1428 12.1434 k = 0.5000 0.2887-0.0000 ( 3118 PWs) bands (ev): -7.6394 -7.6394 -7.5663 -7.5663 -7.5299 -7.5299 -7.4927 -7.4927 -6.8644 -6.8644 -6.7404 -6.7404 -6.6949 -6.6949 -6.6484 -6.6484 -6.6448 -6.6448 -6.6127 -6.6127 -3.2126 -3.2126 -2.5389 -2.5389 1.3185 1.3185 2.1931 2.1931 3.6893 3.6893 4.8918 4.8918 5.3065 5.3065 6.3663 6.3663 9.0189 9.0189 9.7684 9.7684 11.1431 11.1431 12.1429 12.1429 k = 0.5000 0.2887-0.0000 ( 3118 PWs) bands (ev): -7.6394 -7.6394 -7.5663 -7.5663 -7.5299 -7.5299 -7.4927 -7.4927 -6.8644 -6.8644 -6.7404 -6.7404 -6.6949 -6.6949 -6.6484 -6.6484 -6.6448 -6.6448 -6.6127 -6.6127 -3.2126 -3.2126 -2.5389 -2.5389 1.3185 1.3185 2.1931 2.1931 3.6893 3.6893 4.8918 4.8918 5.3065 5.3065 6.3663 6.3663 9.0189 9.0189 9.7684 9.7684 11.1431 11.1431 12.1429 12.1429 k = 0.4933 0.3002-0.0000 ( 3118 PWs) bands (ev): -7.6398 -7.6391 -7.5702 -7.5623 -7.5301 -7.5296 -7.4927 -7.4926 -6.8711 -6.8578 -6.7436 -6.7371 -6.6959 -6.6940 -6.6491 -6.6477 -6.6448 -6.6447 -6.6134 -6.6121 -3.2118 -3.2115 -2.5389 -2.5386 1.3190 1.3199 2.1927 2.1934 3.6892 3.6905 4.8838 4.8865 5.3052 5.3059 6.3576 6.3583 9.0294 9.0318 9.7785 9.7801 11.1304 11.1377 12.1329 12.1622 k = 0.4867 0.3118-0.0000 ( 3118 PWs) bands (ev): -7.6402 -7.6389 -7.5740 -7.5583 -7.5302 -7.5292 -7.4928 -7.4925 -6.8777 -6.8512 -6.7469 -6.7338 -6.6969 -6.6931 -6.6498 -6.6471 -6.6448 -6.6445 -6.6142 -6.6115 -3.2089 -3.2082 -2.5385 -2.5381 1.3214 1.3232 2.1921 2.1935 3.6902 3.6927 4.8629 4.8683 5.3020 5.3035 6.3326 6.3339 9.0631 9.0676 9.8099 9.8130 11.1011 11.1141 12.1331 12.1888 k = 0.4800 0.3233-0.0000 ( 3114 PWs) bands (ev): -7.6406 -7.6387 -7.5778 -7.5543 -7.5302 -7.5288 -7.4928 -7.4925 -6.8844 -6.8447 -6.7501 -6.7306 -6.6979 -6.6923 -6.6505 -6.6467 -6.6448 -6.6443 -6.6151 -6.6110 -3.2040 -3.2030 -2.5379 -2.5373 1.3257 1.3284 2.1912 2.1935 3.6921 3.6959 4.8301 4.8380 5.2970 5.2993 6.2924 6.2945 9.1192 9.1256 9.8614 9.8660 11.0573 11.0740 12.1437 12.2209 k = 0.4733 0.3349-0.0000 ( 3112 PWs) bands (ev): -7.6411 -7.6386 -7.5814 -7.5503 -7.5300 -7.5282 -7.4929 -7.4924 -6.8909 -6.8383 -6.7533 -6.7275 -6.6990 -6.6915 -6.6513 -6.6464 -6.6448 -6.6439 -6.6160 -6.6107 -3.1972 -3.1958 -2.5371 -2.5362 1.3319 1.3355 2.1901 2.1931 3.6947 3.6997 4.7869 4.7970 5.2902 5.2933 6.2387 6.2417 9.1964 9.2043 9.9311 9.9372 11.0018 11.0198 12.1638 12.2567 k = 0.4667 0.3464-0.0000 ( 3108 PWs) bands (ev): -7.6415 -7.6385 -7.5850 -7.5463 -7.5297 -7.5276 -7.4929 -7.4923 -6.8975 -6.8320 -6.7564 -6.7244 -6.7002 -6.6907 -6.6520 -6.6461 -6.6448 -6.6434 -6.6169 -6.6104 -3.1883 -3.1866 -2.5361 -2.5350 1.3399 1.3445 2.1886 2.1923 3.6976 3.7040 4.7352 4.7472 5.2815 5.2856 6.1736 6.1777 9.2930 9.3020 10.0166 10.0243 10.9373 10.9548 12.1924 12.2952 k = 0.4600 0.3580-0.0000 ( 3112 PWs) bands (ev): -7.6420 -7.6385 -7.5884 -7.5424 -7.5293 -7.5269 -7.4930 -7.4923 -6.9039 -6.8258 -6.7594 -6.7215 -6.7014 -6.6900 -6.6527 -6.6460 -6.6448 -6.6428 -6.6179 -6.6102 -3.1775 -3.1754 -2.5350 -2.5338 1.3498 1.3553 2.1867 2.1911 3.7004 3.7081 4.6772 4.6908 5.2709 5.2761 6.0993 6.1048 9.4075 9.4169 10.1153 10.1247 10.8661 10.8819 12.2287 12.3361 k = 0.4533 0.3695-0.0000 ( 3108 PWs) bands (ev): -7.6425 -7.6385 -7.5918 -7.5387 -7.5286 -7.5262 -7.4930 -7.4922 -6.9102 -6.8198 -6.7624 -6.7187 -6.7026 -6.6894 -6.6533 -6.6459 -6.6448 -6.6422 -6.6189 -6.6101 -3.1647 -3.1623 -2.5340 -2.5325 1.3615 1.3680 2.1841 2.1892 3.7024 3.7113 4.6156 4.6303 5.2583 5.2647 6.0181 6.0253 9.5378 9.5470 10.2245 10.2359 10.7906 10.8040 12.2720 12.3795 k = 0.4467 0.3811-0.0000 ( 3100 PWs) bands (ev): -7.6429 -7.6386 -7.5950 -7.5354 -7.5275 -7.5254 -7.4931 -7.4920 -6.9163 -6.8139 -6.7652 -6.7161 -6.7039 -6.6888 -6.6539 -6.6458 -6.6448 -6.6417 -6.6198 -6.6101 -3.1502 -3.1474 -2.5330 -2.5314 1.3749 1.3824 2.1807 2.1865 3.7026 3.7129 4.5529 4.5684 5.2435 5.2513 5.9321 5.9412 9.6821 9.6905 10.3412 10.3548 10.7128 10.7236 12.3221 12.4260 k = 0.4400 0.3926-0.0000 ( 3102 PWs) bands (ev): -7.6433 -7.6387 -7.5982 -7.5328 -7.5258 -7.5246 -7.4931 -7.4919 -6.9222 -6.8082 -6.7679 -6.7137 -6.7051 -6.6882 -6.6544 -6.6457 -6.6448 -6.6411 -6.6207 -6.6102 -3.1338 -3.1307 -2.5324 -2.5305 1.3900 1.3986 2.1763 2.1828 3.6998 3.7114 4.4921 4.5081 5.2264 5.2358 5.8431 5.8546 9.8387 9.8455 10.4604 10.4764 10.6371 10.6453 12.3789 12.4760 k = 0.4333 0.4041-0.0000 ( 3102 PWs) bands (ev): -7.6437 -7.6388 -7.6012 -7.5310 -7.5239 -7.5233 -7.4931 -7.4917 -6.9279 -6.8027 -6.7704 -6.7120 -6.7059 -6.6878 -6.6548 -6.6456 -6.6448 -6.6406 -6.6216 -6.6104 -3.1156 -3.1122 -2.5321 -2.5300 1.4067 1.4165 2.1707 2.1779 3.6927 3.7056 4.4361 4.4524 5.2067 5.2180 5.7531 5.7673 10.0059 10.0103 10.5309 10.5338 10.6193 10.6296 12.4428 12.5302 k = 0.4267 0.4157-0.0000 ( 3110 PWs) bands (ev): -7.6441 -7.6390 -7.6041 -7.5298 -7.5232 -7.5203 -7.4931 -7.4915 -6.9334 -6.7973 -6.7728 -6.7115 -6.7057 -6.6874 -6.6551 -6.6455 -6.6449 -6.6402 -6.6224 -6.6106 -3.0958 -3.0921 -2.5324 -2.5301 1.4251 1.4360 2.1636 2.1716 3.6797 3.6937 4.3879 4.4042 5.1843 5.1978 5.6636 5.6809 10.1822 10.1829 10.4656 10.4670 10.7304 10.7504 12.5141 12.5892 k = 0.4200 0.4272-0.0000 ( 3108 PWs) bands (ev): -7.6444 -7.6391 -7.6070 -7.5289 -7.5225 -7.5172 -7.4931 -7.4913 -6.9386 -6.7921 -6.7750 -6.7123 -6.7044 -6.6871 -6.6554 -6.6454 -6.6449 -6.6398 -6.6230 -6.6110 -3.0743 -3.0703 -2.5335 -2.5309 1.4450 1.4571 2.1549 2.1636 3.6595 3.6745 4.3499 4.3663 5.1590 5.1749 5.5760 5.5967 10.3617 10.3658 10.3907 10.3911 10.8553 10.8797 12.5931 12.6531 k = 0.4133 0.4388-0.0000 ( 3112 PWs) bands (ev): -7.6446 -7.6393 -7.6097 -7.5281 -7.5219 -7.5141 -7.4931 -7.4911 -6.9435 -6.7872 -6.7771 -6.7139 -6.7028 -6.6870 -6.6555 -6.6452 -6.6450 -6.6396 -6.6235 -6.6114 -3.0514 -3.0471 -2.5355 -2.5327 1.4663 1.4797 2.1443 2.1536 3.6318 3.6474 4.3237 4.3402 5.1307 5.1492 5.4917 5.5161 10.3170 10.3178 10.5446 10.5553 10.9793 11.0079 12.6801 12.7216 k = 0.4067 0.4503-0.0000 ( 3106 PWs) bands (ev): -7.6447 -7.6394 -7.6124 -7.5274 -7.5213 -7.5112 -7.4930 -7.4908 -6.9481 -6.7824 -6.7790 -6.7157 -6.7011 -6.6869 -6.6554 -6.6451 -6.6450 -6.6394 -6.6238 -6.6119 -3.0270 -3.0225 -2.5386 -2.5356 1.4889 1.5038 2.1315 2.1416 3.5971 3.6128 4.3098 4.3265 5.0994 5.1205 5.4118 5.4400 10.2466 10.2484 10.7291 10.7488 11.1000 11.1324 12.7751 12.7932 k = 0.4000 0.4619-0.0000 ( 3104 PWs) bands (ev): -7.6448 -7.6395 -7.6149 -7.5267 -7.5209 -7.5084 -7.4929 -7.4906 -6.9523 -6.7807 -6.7778 -6.7177 -6.6995 -6.6869 -6.6553 -6.6451 -6.6449 -6.6394 -6.6239 -6.6124 -3.0014 -2.9965 -2.5430 -2.5398 1.5129 1.5291 2.1165 2.1272 3.5569 3.5725 4.3075 4.3247 5.0653 5.0886 5.3373 5.3690 10.1808 10.1832 10.9122 10.9443 11.2165 11.2516 12.8629 12.8777 k = 0.3933 0.4734-0.0000 ( 3112 PWs) bands (ev): -7.6449 -7.6396 -7.6174 -7.5260 -7.5205 -7.5060 -7.4927 -7.4903 -6.9562 -6.7823 -6.7734 -6.7198 -6.6980 -6.6870 -6.6551 -6.6451 -6.6447 -6.6395 -6.6239 -6.6130 -2.9745 -2.9695 -2.5490 -2.5455 1.5381 1.5558 2.0988 2.1102 3.5136 3.5285 4.3153 4.3332 5.0289 5.0535 5.2691 5.3034 10.1201 10.1231 11.0890 11.1391 11.3294 11.3644 12.9185 12.9872 k = 0.3867 0.4850-0.0000 ( 3112 PWs) bands (ev): -7.6448 -7.6396 -7.6198 -7.5253 -7.5202 -7.5039 -7.4924 -7.4900 -6.9597 -6.7836 -6.7693 -6.7220 -6.6966 -6.6872 -6.6548 -6.6452 -6.6445 -6.6398 -6.6237 -6.6136 -2.9466 -2.9413 -2.5568 -2.5530 1.5644 1.5837 2.0786 2.0906 3.4692 3.4832 4.3318 4.3504 4.9909 5.0153 5.2078 5.2431 10.0651 10.0683 11.2524 11.3297 11.4414 11.4698 12.9479 13.1020 k = 0.3800 0.4965-0.0000 ( 3120 PWs) bands (ev): -7.6446 -7.6396 -7.6220 -7.5247 -7.5200 -7.5022 -7.4920 -7.4898 -6.9628 -6.7848 -6.7653 -6.7243 -6.6954 -6.6874 -6.6544 -6.6452 -6.6443 -6.6401 -6.6233 -6.6142 -2.9178 -2.9123 -2.5665 -2.5624 1.5917 1.6127 2.0557 2.0683 3.4261 3.4388 4.3555 4.3749 4.9523 4.9744 5.1533 5.1878 10.0162 10.0193 11.3922 11.5104 11.5572 11.5680 12.9629 13.1256 k = 0.3733 0.5081-0.0000 ( 3120 PWs) bands (ev): -7.6444 -7.6395 -7.6241 -7.5240 -7.5199 -7.5008 -7.4915 -7.4895 -6.9655 -6.7857 -6.7615 -6.7268 -6.6943 -6.6877 -6.6540 -6.6452 -6.6442 -6.6404 -6.6228 -6.6149 -2.8882 -2.8825 -2.5785 -2.5740 1.6200 1.6427 2.0301 2.0433 3.3858 3.3970 4.3850 4.4054 4.9137 4.9316 5.1056 5.1372 9.9735 9.9765 11.5025 11.6513 11.6763 11.6816 12.9829 13.1593 k = 0.3667 0.5196-0.0000 ( 3122 PWs) bands (ev): -7.6440 -7.6395 -7.6261 -7.5234 -7.5199 -7.4997 -7.4910 -7.4893 -6.9677 -6.7866 -6.7579 -6.7293 -6.6933 -6.6881 -6.6536 -6.6452 -6.6441 -6.6407 -6.6222 -6.6156 -2.8580 -2.8522 -2.5928 -2.5880 1.6492 1.6738 2.0020 2.0157 3.3499 3.3594 4.4194 4.4408 4.8757 4.8875 5.0646 5.0914 9.9373 9.9400 11.5884 11.7342 11.7869 11.8198 13.0220 13.2176 k = 0.3600 0.5312-0.0000 ( 3130 PWs) bands (ev): -7.6436 -7.6394 -7.6280 -7.5229 -7.5200 -7.4989 -7.4904 -7.4891 -6.9696 -6.7872 -6.7545 -6.7318 -6.6925 -6.6885 -6.6532 -6.6452 -6.6440 -6.6410 -6.6216 -6.6163 -2.8275 -2.8216 -2.6096 -2.6045 1.6791 1.7059 1.9717 1.9857 3.3193 3.3270 4.4580 4.4803 4.8378 4.8423 5.0301 5.0509 9.9077 9.9100 11.6567 11.8062 11.8767 11.9260 13.0899 13.3055 k = 0.3533 0.5427-0.0000 ( 3124 PWs) bands (ev): -7.6430 -7.6394 -7.6295 -7.5223 -7.5201 -7.4984 -7.4899 -7.4890 -6.9710 -6.7877 -6.7512 -6.7344 -6.6918 -6.6889 -6.6528 -6.6451 -6.6440 -6.6413 -6.6209 -6.6170 -2.7967 -2.7908 -2.6292 -2.6236 1.7096 1.7389 1.9397 1.9537 3.2950 3.3008 4.4999 4.5233 4.7960 4.7993 5.0028 5.0169 9.8847 9.8865 11.7106 11.8692 11.9404 11.9933 13.1894 13.4244 k = 0.3467 0.5543-0.0000 ( 3120 PWs) bands (ev): -7.6424 -7.6396 -7.6307 -7.5218 -7.5203 -7.4981 -7.4895 -7.4890 -6.9720 -6.7880 -6.7481 -6.7371 -6.6911 -6.6893 -6.6525 -6.6450 -6.6441 -6.6414 -6.6202 -6.6177 -2.7660 -2.7601 -2.6517 -2.6455 1.7399 1.7728 1.9073 1.9200 3.2775 3.2813 4.5446 4.5692 4.7484 4.7588 4.9832 4.9911 9.8685 9.8698 11.7505 11.9229 11.9793 12.0235 13.3114 13.5714 k = 0.3400 0.5658-0.0000 ( 3124 PWs) bands (ev): -7.6417 -7.6400 -7.6315 -7.5214 -7.5206 -7.4979 -7.4892 -7.4890 -6.9726 -6.7882 -6.7452 -6.7397 -6.6906 -6.6897 -6.6524 -6.6448 -6.6443 -6.6415 -6.6196 -6.6183 -2.7355 -2.7299 -2.6770 -2.6701 1.7675 1.8071 1.8775 1.8859 3.2672 3.2691 4.5908 4.6175 4.7001 4.7153 4.9716 4.9747 9.8590 9.8596 11.7754 11.9669 11.9989 12.0237 13.4257 13.7402 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -7.6408 -7.6408 -7.6317 -7.5210 -7.5210 -7.4978 -7.4890 -7.4890 -6.9728 -6.7883 -6.7424 -6.7424 -6.6902 -6.6902 -6.6523 -6.6446 -6.6446 -6.6415 -6.6190 -6.6190 -2.7060 -2.7060 -2.7049 -2.6919 1.7816 1.8319 1.8617 1.8617 3.2644 3.2644 4.6255 4.6634 4.6634 4.6724 4.9684 4.9684 9.8561 9.8561 11.7840 11.9972 12.0055 12.0055 13.4727 13.8421 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -7.6408 -7.6408 -7.6317 -7.5210 -7.5210 -7.4978 -7.4890 -7.4890 -6.9728 -6.7883 -6.7424 -6.7424 -6.6902 -6.6902 -6.6523 -6.6446 -6.6446 -6.6415 -6.6190 -6.6190 -2.7060 -2.7060 -2.7049 -2.6919 1.7816 1.8319 1.8617 1.8617 3.2644 3.2644 4.6255 4.6634 4.6634 4.6724 4.9684 4.9684 9.8561 9.8561 11.7840 11.9972 12.0055 12.0055 13.4727 13.8421 k = 0.3267 0.5658-0.0000 ( 3120 PWs) bands (ev): -7.6418 -7.6398 -7.6315 -7.5214 -7.5206 -7.4979 -7.4891 -7.4890 -6.9726 -6.7882 -6.7451 -6.7398 -6.6906 -6.6898 -6.6524 -6.6448 -6.6443 -6.6415 -6.6195 -6.6184 -2.7369 -2.7308 -2.6761 -2.6688 1.7665 1.8070 1.8764 1.8885 3.2673 3.2691 4.5878 4.6173 4.6989 4.7195 4.9725 4.9738 9.8590 9.8596 11.7755 11.9637 12.0042 12.0244 13.4383 13.7343 k = 0.3200 0.5543-0.0000 ( 3120 PWs) bands (ev): -7.6430 -7.6388 -7.6309 -7.5218 -7.5203 -7.4981 -7.4894 -7.4890 -6.9720 -6.7880 -6.7478 -6.7373 -6.6910 -6.6894 -6.6525 -6.6451 -6.6440 -6.6415 -6.6201 -6.6178 -2.7714 -2.7644 -2.6478 -2.6410 1.7357 1.7718 1.9091 1.9277 3.2777 3.2812 4.5343 4.5641 4.7500 4.7714 4.9867 4.9876 9.8682 9.8695 11.7512 11.9154 11.9972 12.0356 13.3612 13.6063 k = 0.3133 0.5427-0.0000 ( 3124 PWs) bands (ev): -7.6443 -7.6376 -7.6301 -7.5224 -7.5201 -7.4985 -7.4896 -7.4892 -6.9711 -6.7878 -6.7505 -6.7350 -6.6913 -6.6892 -6.6528 -6.6453 -6.6438 -6.6415 -6.6206 -6.6174 -2.8090 -2.8014 -2.6208 -2.6141 1.7012 1.7365 1.9485 1.9699 3.2956 3.3006 4.4784 4.5087 4.8028 4.8234 5.0099 5.0108 9.8836 9.8855 11.7137 11.8592 11.9843 12.0347 13.2608 13.4710 k = 0.3067 0.5312-0.0000 ( 3126 PWs) bands (ev): -7.6455 -7.6363 -7.6290 -7.5229 -7.5199 -7.4990 -7.4900 -7.4893 -6.9699 -6.7874 -6.7532 -6.7327 -6.6917 -6.6890 -6.6531 -6.6455 -6.6435 -6.6415 -6.6211 -6.6170 -2.8494 -2.8414 -2.5953 -2.5887 1.6666 1.7023 1.9920 2.0147 3.3207 3.3271 4.4214 4.4518 4.8561 4.8749 5.0404 5.0445 9.9049 9.9074 11.6663 11.7973 11.9644 12.0217 13.1466 13.3339 k = 0.3000 0.5196-0.0000 ( 3118 PWs) bands (ev): -7.6467 -7.6350 -7.6277 -7.5235 -7.5197 -7.4998 -7.4904 -7.4894 -6.9683 -6.7870 -6.7558 -6.7306 -6.6921 -6.6888 -6.6536 -6.6458 -6.6433 -6.6416 -6.6215 -6.6166 -2.8927 -2.8843 -2.5716 -2.5651 1.6331 1.6698 2.0392 2.0625 3.3528 3.3603 4.3638 4.3940 4.9095 4.9258 5.0789 5.0870 9.9319 9.9350 11.6115 11.7313 11.9369 11.9970 13.0251 13.1975 k = 0.2933 0.5081-0.0000 ( 3114 PWs) bands (ev): -7.6479 -7.6335 -7.6262 -7.5241 -7.5196 -7.5008 -7.4909 -7.4895 -6.9665 -6.7865 -6.7583 -6.7286 -6.6924 -6.6886 -6.6541 -6.6459 -6.6432 -6.6417 -6.6218 -6.6164 -2.9387 -2.9299 -2.5500 -2.5436 1.6015 1.6397 2.0899 2.1133 3.3913 3.3999 4.3062 4.3357 4.9629 4.9765 5.1248 5.1372 9.9644 9.9681 11.5512 11.6621 11.9015 11.9615 12.9004 13.0626 k = 0.2867 0.4965-0.0000 ( 3114 PWs) bands (ev): -7.6490 -7.6319 -7.6246 -7.5248 -7.5196 -7.5021 -7.4914 -7.4896 -6.9645 -6.7859 -6.7608 -6.7267 -6.6928 -6.6884 -6.6547 -6.6461 -6.6432 -6.6419 -6.6222 -6.6162 -2.9873 -2.9780 -2.5308 -2.5244 1.5727 1.6125 2.1444 2.1675 3.4361 3.4455 4.2488 4.2776 5.0168 5.0280 5.1772 5.1936 10.0021 10.0063 11.4870 11.5907 11.8586 11.9166 12.7749 12.9299 k = 0.2800 0.4850-0.0000 ( 3110 PWs) bands (ev): -7.6500 -7.6302 -7.6228 -7.5255 -7.5196 -7.5035 -7.4920 -7.4895 -6.9621 -6.7853 -6.7633 -6.7249 -6.6931 -6.6883 -6.6553 -6.6462 -6.6432 -6.6421 -6.6224 -6.6162 -3.0381 -3.0286 -2.5141 -2.5078 1.5469 1.5884 2.2027 2.2253 3.4866 3.4967 4.1922 4.2201 5.0717 5.0810 5.2349 5.2549 10.0447 10.0494 11.4199 11.5175 11.8092 11.8638 12.6500 12.7996 k = 0.2733 0.4734-0.0000 ( 3106 PWs) bands (ev): -7.6509 -7.6284 -7.6209 -7.5262 -7.5196 -7.5051 -7.4927 -7.4894 -6.9596 -6.7846 -6.7656 -6.7232 -6.6934 -6.6882 -6.6560 -6.6463 -6.6433 -6.6424 -6.6226 -6.6162 -3.0911 -3.0813 -2.5002 -2.4939 1.5245 1.5679 2.2650 2.2868 3.5424 3.5531 4.1369 4.1638 5.1281 5.1362 5.2967 5.3198 10.0919 10.0971 11.3508 11.4431 11.7540 11.8047 12.5268 12.6719 k = 0.2667 0.4619-0.0000 ( 3108 PWs) bands (ev): -7.6517 -7.6266 -7.6189 -7.5269 -7.5197 -7.5069 -7.4934 -7.4893 -6.9569 -6.7839 -6.7679 -6.7217 -6.6937 -6.6881 -6.6568 -6.6465 -6.6435 -6.6428 -6.6228 -6.6162 -3.1461 -3.1360 -2.4892 -2.4829 1.5060 1.5511 2.3314 2.3523 3.6031 3.6143 4.0834 4.1091 5.1866 5.1938 5.3619 5.3875 10.1432 10.1488 11.2801 11.3679 11.6944 11.7409 12.4057 12.5472 k = 0.2600 0.4503-0.0000 ( 3106 PWs) bands (ev): -7.6524 -7.6246 -7.6168 -7.5276 -7.5199 -7.5088 -7.4942 -7.4892 -6.9540 -6.7831 -6.7700 -6.7202 -6.6941 -6.6879 -6.6576 -6.6466 -6.6437 -6.6432 -6.6230 -6.6164 -3.2027 -3.1924 -2.4814 -2.4751 1.4913 1.5383 2.4020 2.4218 3.6683 3.6798 4.0321 4.0567 5.2472 5.2540 5.4297 5.4573 10.1983 10.2044 11.2085 11.2920 11.6313 11.6738 12.2872 12.4254 k = 0.2533 0.4388-0.0000 ( 3122 PWs) bands (ev): -7.6530 -7.6226 -7.6145 -7.5284 -7.5201 -7.5107 -7.4950 -7.4891 -6.9510 -6.7823 -6.7721 -6.7188 -6.6944 -6.6878 -6.6585 -6.6467 -6.6440 -6.6437 -6.6231 -6.6166 -3.2607 -3.2503 -2.4767 -2.4704 1.4806 1.5294 2.4768 2.4955 3.7373 3.7491 3.9838 4.0072 5.3102 5.3168 5.4996 5.5289 10.2567 10.2631 11.1363 11.2158 11.5658 11.6046 12.1717 12.3069 k = 0.2467 0.4272-0.0000 ( 3126 PWs) bands (ev): -7.6534 -7.6204 -7.6121 -7.5291 -7.5203 -7.5128 -7.4958 -7.4889 -6.9479 -6.7815 -6.7740 -6.7176 -6.6947 -6.6876 -6.6594 -6.6468 -6.6444 -6.6442 -6.6232 -6.6168 -3.3200 -3.3095 -2.4753 -2.4689 1.4738 1.5243 2.5560 2.5734 3.8090 3.8207 3.9403 3.9621 5.3754 5.3820 5.5710 5.6018 10.3177 10.3245 11.0638 11.1393 11.4990 11.5346 12.0595 12.1917 k = 0.2400 0.4157-0.0000 ( 3114 PWs) bands (ev): -7.6538 -7.6182 -7.6097 -7.5299 -7.5206 -7.5149 -7.4967 -7.4888 -6.9446 -6.7806 -6.7758 -6.7164 -6.6951 -6.6875 -6.6604 -6.6470 -6.6449 -6.6448 -6.6233 -6.6171 -3.3802 -3.3697 -2.4772 -2.4706 1.4708 1.5228 2.6393 2.6555 3.8739 3.8749 3.9213 3.9311 5.4428 5.4496 5.6438 5.6757 10.3805 10.3874 10.9915 11.0628 11.4321 11.4649 11.9508 12.0801 k = 0.2333 0.4041-0.0000 ( 3114 PWs) bands (ev): -7.6540 -7.6160 -7.6071 -7.5307 -7.5209 -7.5171 -7.4976 -7.4887 -6.9413 -6.7797 -6.7774 -6.7154 -6.6954 -6.6873 -6.6614 -6.6471 -6.6456 -6.6453 -6.6234 -6.6175 -3.4411 -3.4306 -2.4823 -2.4755 1.4712 1.5247 2.7269 2.7417 3.8518 3.8683 3.9781 3.9871 5.5122 5.5193 5.7175 5.7505 10.4439 10.4507 10.9198 10.9863 11.3662 11.3970 11.8459 11.9721 k = 0.2267 0.3926-0.0000 ( 3106 PWs) bands (ev): -7.6540 -7.6136 -7.6045 -7.5315 -7.5212 -7.5192 -7.4986 -7.4887 -6.9378 -6.7789 -6.7788 -6.7146 -6.6957 -6.6870 -6.6624 -6.6474 -6.6463 -6.6458 -6.6235 -6.6178 -3.5026 -3.4922 -2.4906 -2.4834 1.4748 1.5296 2.8186 2.8322 3.8206 3.8376 4.0581 4.0687 5.5833 5.5908 5.7920 5.8259 10.5062 10.5120 10.8494 10.9100 11.3031 11.3325 11.7449 11.8680 k = 0.2200 0.3811-0.0000 ( 3116 PWs) bands (ev): -7.6540 -7.6113 -7.6017 -7.5322 -7.5217 -7.5212 -7.4995 -7.4887 -6.9344 -6.7803 -6.7779 -6.7138 -6.6960 -6.6868 -6.6635 -6.6477 -6.6470 -6.6463 -6.6235 -6.6182 -3.5643 -3.5540 -2.5018 -2.4943 1.4809 1.5368 2.9145 2.9267 3.7938 3.8100 4.1431 4.1540 5.6560 5.6639 5.8670 5.9016 10.5644 10.5666 10.7827 10.8343 11.2454 11.2740 11.6482 11.7680 k = 0.2133 0.3695-0.0000 ( 3124 PWs) bands (ev): -7.6538 -7.6088 -7.5990 -7.5330 -7.5235 -7.5219 -7.5005 -7.4888 -6.9308 -6.7814 -6.7769 -6.7133 -6.6963 -6.6865 -6.6646 -6.6484 -6.6476 -6.6469 -6.6236 -6.6186 -3.6262 -3.6161 -2.5158 -2.5080 1.4891 1.5459 3.0143 3.0252 3.7728 3.7882 4.2310 4.2420 5.7300 5.7384 5.9424 5.9776 10.6010 10.6129 10.7286 10.7605 11.1971 11.2254 11.5559 11.6723 k = 0.2067 0.3580-0.0000 ( 3122 PWs) bands (ev): -7.6534 -7.6064 -7.5961 -7.5338 -7.5256 -7.5224 -7.5015 -7.4890 -6.9273 -6.7824 -6.7760 -6.7129 -6.6966 -6.6862 -6.6657 -6.6492 -6.6480 -6.6475 -6.6237 -6.6190 -3.6879 -3.6780 -2.5325 -2.5242 1.4988 1.5561 3.1181 3.1277 3.7584 3.7730 4.3212 4.3321 5.8050 5.8140 6.0180 6.0536 10.5851 10.6347 10.6997 10.7106 11.1649 11.1926 11.4684 11.5812 k = 0.2000 0.3464-0.0000 ( 3126 PWs) bands (ev): -7.6529 -7.6039 -7.5932 -7.5345 -7.5277 -7.5228 -7.5026 -7.4893 -6.9237 -6.7832 -6.7750 -6.7126 -6.6968 -6.6859 -6.6669 -6.6502 -6.6484 -6.6481 -6.6237 -6.6193 -3.7493 -3.7397 -2.5515 -2.5428 1.5091 1.5667 3.2257 3.2340 3.7514 3.7654 4.4132 4.4240 5.8807 5.8904 6.0937 6.1295 10.5290 10.5880 10.6861 10.7100 11.1565 11.1822 11.3858 11.4949 k = 0.1933 0.3349-0.0000 ( 3118 PWs) bands (ev): -7.6523 -7.6014 -7.5903 -7.5353 -7.5297 -7.5233 -7.5036 -7.4896 -6.9201 -6.7838 -6.7740 -6.7126 -6.6970 -6.6855 -6.6680 -6.6513 -6.6489 -6.6487 -6.6238 -6.6197 -3.8102 -3.8009 -2.5727 -2.5635 1.5196 1.5772 3.3369 3.3440 3.7524 3.7658 4.5067 4.5174 5.9569 5.9674 6.1692 6.2051 10.4621 10.5151 10.6737 10.6935 11.1751 11.1972 11.3088 11.4141 k = 0.1867 0.3233-0.0000 ( 3118 PWs) bands (ev): -7.6516 -7.5989 -7.5874 -7.5360 -7.5316 -7.5238 -7.5047 -7.4901 -6.9165 -6.7841 -6.7730 -6.7127 -6.6972 -6.6851 -6.6691 -6.6524 -6.6494 -6.6494 -6.6238 -6.6200 -3.8704 -3.8615 -2.5957 -2.5860 1.5295 1.5867 3.4516 3.4577 3.7620 3.7750 4.6014 4.6120 6.0332 6.0445 6.2445 6.2803 10.3921 10.4386 10.6427 10.6574 11.2140 11.2214 11.2501 11.3408 k = 0.1800 0.3118-0.0000 ( 3126 PWs) bands (ev): -7.6507 -7.5964 -7.5845 -7.5367 -7.5335 -7.5243 -7.5058 -7.4907 -6.9129 -6.7843 -6.7720 -6.7130 -6.6975 -6.6846 -6.6702 -6.6535 -6.6500 -6.6500 -6.6238 -6.6202 -3.9298 -3.9213 -2.6203 -2.6102 1.5382 1.5947 3.5696 3.5748 3.7807 3.7933 4.6969 4.7073 6.1093 6.1216 6.3195 6.3549 10.3207 10.3608 10.5969 10.6072 11.1652 11.2391 11.2922 11.3011 k = 0.1733 0.3002-0.0000 ( 3124 PWs) bands (ev): -7.6497 -7.5940 -7.5815 -7.5374 -7.5352 -7.5249 -7.5068 -7.4914 -6.9092 -6.7843 -6.7710 -6.7135 -6.6978 -6.6841 -6.6712 -6.6547 -6.6507 -6.6507 -6.6238 -6.6205 -3.9883 -3.9801 -2.6463 -2.6356 1.5452 1.6007 3.6904 3.6953 3.8092 3.8212 4.7929 4.8032 6.1849 6.1984 6.3939 6.4288 10.2484 10.2823 10.5416 10.5484 11.1041 11.1895 11.3490 11.3530 k = 0.1667 0.2887-0.0000 ( 3124 PWs) bands (ev): -7.6485 -7.5915 -7.5786 -7.5381 -7.5369 -7.5254 -7.5080 -7.4922 -6.9056 -6.7840 -6.7700 -6.7140 -6.6981 -6.6836 -6.6721 -6.6559 -6.6515 -6.6514 -6.6237 -6.6206 -4.0456 -4.0379 -2.6733 -2.6621 1.5502 1.6044 3.8100 3.8187 3.8516 3.8591 4.8891 4.8993 6.2597 6.2744 6.4677 6.5018 10.1753 10.2030 10.4804 10.4842 11.0480 11.1315 11.4136 11.4176 k = 0.1600 0.2771-0.0000 ( 3116 PWs) bands (ev): -7.6472 -7.5891 -7.5757 -7.5387 -7.5385 -7.5260 -7.5091 -7.4932 -6.9020 -6.7836 -6.7690 -6.7147 -6.6986 -6.6830 -6.6729 -6.6571 -6.6523 -6.6521 -6.6237 -6.6207 -4.1017 -4.0944 -2.7010 -2.6895 1.5529 1.6055 3.8863 3.9053 3.9466 3.9498 4.9852 4.9952 6.3334 6.3494 6.5408 6.5738 10.1015 10.1231 10.4151 10.4165 10.9974 11.0775 11.4792 11.4819 k = 0.1533 0.2656-0.0000 ( 3122 PWs) bands (ev): -7.6457 -7.5868 -7.5729 -7.5399 -7.5393 -7.5266 -7.5102 -7.4943 -6.8983 -6.7829 -6.7680 -6.7155 -6.6992 -6.6824 -6.6735 -6.6583 -6.6532 -6.6528 -6.6235 -6.6208 -4.1564 -4.1496 -2.7293 -2.7174 1.5532 1.6039 3.9447 3.9624 4.0762 4.0784 5.0807 5.0906 6.4056 6.4232 6.6129 6.6447 10.0268 10.0426 10.3461 10.3468 10.9525 11.0289 11.5419 11.5431 k = 0.1467 0.2540-0.0000 ( 3130 PWs) bands (ev): -7.6442 -7.5845 -7.5701 -7.5413 -7.5399 -7.5272 -7.5114 -7.4955 -6.8946 -6.7821 -6.7670 -6.7164 -6.6999 -6.6818 -6.6739 -6.6595 -6.6542 -6.6535 -6.6234 -6.6208 -4.2096 -4.2033 -2.7579 -2.7456 1.5510 1.5997 4.0105 4.0286 4.2088 4.2114 5.1754 5.1851 6.4761 6.4953 6.6840 6.7143 9.9511 9.9613 10.2735 10.2760 10.9134 10.9861 11.5986 11.5989 k = 0.1400 0.2425-0.0000 ( 3126 PWs) bands (ev): -7.6425 -7.5824 -7.5674 -7.5425 -7.5404 -7.5278 -7.5125 -7.4969 -6.8909 -6.7811 -6.7661 -6.7175 -6.7008 -6.6811 -6.6742 -6.6607 -6.6552 -6.6543 -6.6231 -6.6208 -4.2612 -4.2554 -2.7866 -2.7740 1.5465 1.5931 4.0849 4.1037 4.3440 4.3473 5.2688 5.2784 6.5446 6.5656 6.7539 6.7824 9.8742 9.8792 10.1988 10.2026 10.8801 10.9493 11.6461 11.6479 k = 0.1333 0.2309-0.0000 ( 3126 PWs) bands (ev): -7.6406 -7.5803 -7.5648 -7.5435 -7.5409 -7.5285 -7.5137 -7.4984 -6.8872 -6.7799 -6.7652 -6.7186 -6.7018 -6.6805 -6.6743 -6.6619 -6.6563 -6.6550 -6.6229 -6.6207 -4.3111 -4.3058 -2.8151 -2.8023 1.5399 1.5841 4.1675 4.1872 4.4818 4.4859 5.3606 5.3701 6.6109 6.6337 6.8223 6.8490 9.7959 9.7962 10.1218 10.1267 10.8528 10.9186 11.6836 11.6870 k = 0.1267 0.2194-0.0000 ( 3124 PWs) bands (ev): -7.6386 -7.5784 -7.5623 -7.5444 -7.5413 -7.5291 -7.5148 -7.5001 -6.8834 -6.7786 -6.7643 -6.7200 -6.7029 -6.6798 -6.6742 -6.6631 -6.6574 -6.6558 -6.6225 -6.6205 -4.3592 -4.3544 -2.8433 -2.8303 1.5315 1.5733 4.2579 4.2786 4.6219 4.6267 5.4505 5.4600 6.6748 6.6995 6.8891 6.9138 9.7121 9.7161 10.0424 10.0479 10.8314 10.8940 11.7097 11.7143 k = 0.1200 0.2078-0.0000 ( 3124 PWs) bands (ev): -7.6365 -7.5766 -7.5599 -7.5452 -7.5418 -7.5298 -7.5160 -7.5019 -6.8796 -6.7772 -6.7635 -6.7215 -6.7039 -6.6792 -6.6740 -6.6642 -6.6584 -6.6566 -6.6222 -6.6204 -4.4054 -4.4011 -2.8709 -2.8579 1.5214 1.5608 4.3556 4.3772 4.7640 4.7695 5.5381 5.5475 6.7362 6.7626 6.9539 6.9766 9.6267 9.6344 9.9601 9.9659 10.8160 10.8755 11.7232 11.7286 k = 0.1133 0.1963-0.0000 ( 3128 PWs) bands (ev): -7.6343 -7.5750 -7.5576 -7.5458 -7.5421 -7.5305 -7.5172 -7.5038 -6.8757 -6.7757 -6.7627 -6.7234 -6.7049 -6.6786 -6.6737 -6.6653 -6.6595 -6.6574 -6.6218 -6.6201 -4.4496 -4.4459 -2.8979 -2.8848 1.5101 1.5471 4.4600 4.4826 4.9079 4.9142 5.6231 5.6326 6.7948 6.8231 7.0167 7.0372 9.5399 9.5508 9.8746 9.8802 10.8064 10.8631 11.7238 11.7293 k = 0.1067 0.1848-0.0000 ( 3120 PWs) bands (ev): -7.6320 -7.5736 -7.5555 -7.5462 -7.5425 -7.5311 -7.5183 -7.5059 -6.8717 -6.7741 -6.7619 -6.7255 -6.7058 -6.6781 -6.6732 -6.6664 -6.6605 -6.6582 -6.6213 -6.6199 -4.4918 -4.4885 -2.9239 -2.9110 1.4979 1.5324 4.5705 4.5939 5.0534 5.0603 5.7054 5.7149 6.8507 6.8806 7.0770 7.0954 9.4513 9.4648 9.7854 9.7905 10.8026 10.8565 11.7120 11.7170 k = 0.1000 0.1732-0.0000 ( 3116 PWs) bands (ev): -7.6295 -7.5725 -7.5534 -7.5465 -7.5427 -7.5318 -7.5195 -7.5080 -6.8676 -6.7725 -6.7612 -6.7279 -6.7064 -6.6777 -6.6727 -6.6673 -6.6615 -6.6590 -6.6208 -6.6196 -4.5318 -4.5290 -2.9490 -2.9363 1.4850 1.5171 4.6862 4.7104 5.2000 5.2074 5.7847 5.7944 6.9036 6.9352 7.1347 7.1511 9.3606 9.3763 9.6922 9.6964 10.8044 10.8557 11.6890 11.6928 k = 0.0933 0.1617-0.0000 ( 3112 PWs) bands (ev): -7.6270 -7.5715 -7.5516 -7.5465 -7.5430 -7.5325 -7.5206 -7.5102 -6.8634 -6.7708 -6.7605 -6.7307 -6.7069 -6.6776 -6.6721 -6.6680 -6.6623 -6.6597 -6.6203 -6.6192 -4.5696 -4.5672 -2.9729 -2.9605 1.4717 1.5015 4.8067 4.8316 5.3471 5.3550 5.8612 5.8711 6.9536 6.9866 7.1895 7.2039 9.2676 9.2850 9.5947 9.5976 10.8114 10.8602 11.6568 11.6589 k = 0.0867 0.1501-0.0000 ( 3108 PWs) bands (ev): -7.6243 -7.5708 -7.5499 -7.5465 -7.5432 -7.5331 -7.5217 -7.5125 -6.8590 -6.7692 -6.7598 -6.7338 -6.7071 -6.6778 -6.6715 -6.6686 -6.6630 -6.6604 -6.6198 -6.6189 -4.6052 -4.6032 -2.9956 -2.9836 1.4584 1.4858 4.9310 4.9565 5.4939 5.5022 5.9351 5.9455 7.0005 7.0349 7.2411 7.2538 9.1719 9.1905 9.4927 9.4941 10.8233 10.8696 11.6179 11.6181 k = 0.0800 0.1386-0.0000 ( 3108 PWs) bands (ev): -7.6216 -7.5703 -7.5484 -7.5463 -7.5433 -7.5338 -7.5228 -7.5148 -6.8546 -6.7676 -6.7592 -6.7373 -6.7071 -6.6784 -6.6708 -6.6689 -6.6636 -6.6610 -6.6193 -6.6185 -4.6384 -4.6368 -3.0170 -3.0054 1.4453 1.4704 5.0585 5.0843 5.6390 5.6475 6.0076 6.0187 7.0443 7.0800 7.2895 7.3004 9.0733 9.0926 9.3858 9.3862 10.8393 10.8831 11.5732 11.5749 k = 0.0733 0.1270-0.0000 ( 3112 PWs) bands (ev): -7.6187 -7.5700 -7.5470 -7.5460 -7.5433 -7.5344 -7.5238 -7.5170 -6.8501 -6.7661 -6.7587 -6.7410 -6.7069 -6.6793 -6.6702 -6.6690 -6.6640 -6.6616 -6.6188 -6.6182 -4.6692 -4.6679 -3.0368 -3.0259 1.4325 1.4554 5.1880 5.2142 5.7796 5.7878 6.0810 6.0932 7.0850 7.1219 7.3343 7.3436 8.9713 8.9911 9.2732 9.2755 10.8588 10.8998 11.5273 11.5308 k = 0.0667 0.1155-0.0000 ( 3112 PWs) bands (ev): -7.6158 -7.5700 -7.5459 -7.5456 -7.5433 -7.5351 -7.5248 -7.5192 -6.8454 -6.7646 -6.7581 -6.7450 -6.7065 -6.6805 -6.6697 -6.6691 -6.6642 -6.6621 -6.6183 -6.6178 -4.6976 -4.6965 -3.0552 -3.0449 1.4204 1.4410 5.3186 5.3449 5.9104 5.9178 6.1603 6.1744 7.1225 7.1606 7.3756 7.3833 8.8657 8.8857 9.1569 9.1610 10.8805 10.9186 11.4832 11.4880 k = 0.0600 0.1039-0.0000 ( 3112 PWs) bands (ev): -7.6128 -7.5703 -7.5452 -7.5451 -7.5431 -7.5357 -7.5257 -7.5213 -6.8406 -6.7632 -6.7577 -6.7491 -6.7060 -6.6819 -6.6692 -6.6691 -6.6641 -6.6625 -6.6178 -6.6174 -4.7234 -4.7226 -3.0719 -3.0624 1.4090 1.4274 5.4490 5.4752 6.0223 6.0286 6.2540 6.2705 7.1568 7.1962 7.4130 7.4194 8.7564 8.7764 9.0379 9.0439 10.9030 10.9378 11.4434 11.4491 k = 0.0533 0.0924-0.0000 ( 3104 PWs) bands (ev): -7.6097 -7.5708 -7.5448 -7.5446 -7.5427 -7.5363 -7.5265 -7.5232 -6.8357 -6.7619 -6.7574 -6.7534 -6.7053 -6.6834 -6.6692 -6.6689 -6.6639 -6.6627 -6.6173 -6.6170 -4.7466 -4.7461 -3.0870 -3.0783 1.3985 1.4148 5.5775 5.6033 6.1092 6.1148 6.3682 6.3870 7.1878 7.2290 7.4466 7.4517 8.6432 8.6630 8.9175 8.9252 10.9247 10.9557 11.4103 11.4162 k = 0.0467 0.0808-0.0000 ( 3098 PWs) bands (ev): -7.6066 -7.5716 -7.5445 -7.5443 -7.5422 -7.5369 -7.5273 -7.5250 -6.8307 -6.7607 -6.7588 -6.7562 -6.7045 -6.6849 -6.6693 -6.6687 -6.6636 -6.6628 -6.6169 -6.6167 -4.7673 -4.7669 -3.1004 -3.0926 1.3891 1.4033 5.7019 5.7270 6.1754 6.1809 6.4983 6.5192 7.2158 7.2592 7.4764 7.4800 8.5260 8.5456 8.7978 8.8067 10.9438 10.9705 11.3856 11.3910 k = 0.0400 0.0693-0.0000 ( 3086 PWs) bands (ev): -7.6034 -7.5727 -7.5443 -7.5442 -7.5418 -7.5375 -7.5280 -7.5264 -6.8256 -6.7632 -6.7597 -6.7563 -6.7036 -6.6865 -6.6694 -6.6686 -6.6633 -6.6628 -6.6165 -6.6164 -4.7853 -4.7850 -3.1119 -3.1052 1.3808 1.3930 5.8194 5.8432 6.2291 6.2345 6.6359 6.6595 7.2409 7.2876 7.5021 7.5044 8.4049 8.4243 8.6809 8.6909 10.9588 10.9806 11.3700 11.3743 k = 0.0333 0.0577-0.0000 ( 3087 PWs) bands (ev): -7.6003 -7.5740 -7.5441 -7.5441 -7.5413 -7.5380 -7.5285 -7.5276 -6.8205 -6.7680 -6.7588 -6.7560 -6.7026 -6.6881 -6.6695 -6.6687 -6.6629 -6.6627 -6.6162 -6.6161 -4.8006 -4.8004 -3.1217 -3.1160 1.3739 1.3839 5.9263 5.9481 6.2763 6.2813 6.7744 6.8019 7.2639 7.3156 7.5240 7.5247 8.2800 8.2995 8.5701 8.5805 10.9688 10.9858 11.3631 11.3660 k = 0.0267 0.0462-0.0000 ( 3083 PWs) bands (ev): -7.5971 -7.5757 -7.5440 -7.5440 -7.5410 -7.5384 -7.5290 -7.5285 -6.8152 -6.7731 -6.7580 -6.7559 -6.7014 -6.6898 -6.6696 -6.6688 -6.6626 -6.6625 -6.6159 -6.6158 -4.8131 -4.8130 -3.1296 -3.1250 1.3682 1.3763 6.0179 6.0365 6.3206 6.3247 6.9081 6.9414 7.2868 7.3460 7.5409 7.5421 8.1518 8.1716 8.4692 8.4792 10.9743 10.9867 11.3629 11.3645 k = 0.0200 0.0346-0.0000 ( 3077 PWs) bands (ev): -7.5940 -7.5777 -7.5439 -7.5439 -7.5407 -7.5388 -7.5294 -7.5292 -6.8099 -6.7782 -6.7573 -6.7558 -6.7002 -6.6914 -6.6696 -6.6689 -6.6623 -6.6623 -6.6156 -6.6156 -4.8229 -4.8229 -3.1357 -3.1321 1.3640 1.3700 6.0899 6.1042 6.3634 6.3659 7.0290 7.0692 7.3161 7.3850 7.5526 7.5567 8.0208 8.0415 8.3829 8.3917 10.9764 10.9849 11.3666 11.3673 k = 0.0133 0.0231-0.0000 ( 3059 PWs) bands (ev): -7.5909 -7.5799 -7.5439 -7.5439 -7.5404 -7.5392 -7.5296 -7.5296 -6.8046 -6.7834 -6.7567 -6.7558 -6.6989 -6.6930 -6.6696 -6.6691 -6.6621 -6.6621 -6.6155 -6.6155 -4.8300 -4.8299 -3.1398 -3.1374 1.3612 1.3652 6.1401 6.1494 6.4017 6.4027 7.1246 7.1641 7.3701 7.4434 7.5596 7.5685 7.8887 7.9107 8.3163 8.3229 10.9768 10.9820 11.3715 11.3717 k = 0.0067 0.0115-0.0000 ( 3043 PWs) bands (ev): -7.5879 -7.5824 -7.5439 -7.5439 -7.5401 -7.5395 -7.5298 -7.5298 -6.7993 -6.7886 -6.7563 -6.7558 -6.6975 -6.6945 -6.6695 -6.6693 -6.6620 -6.6620 -6.6154 -6.6154 -4.8342 -4.8342 -3.1421 -3.1409 1.3600 1.3620 6.1694 6.1739 6.4290 6.4292 7.1840 7.2064 7.4619 7.5282 7.5608 7.5806 7.7603 7.7829 8.2745 8.2781 10.9768 10.9793 11.3752 11.3752 k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -7.5851 -7.5851 -7.5439 -7.5439 -7.5398 -7.5398 -7.5299 -7.5299 -6.7939 -6.7939 -6.7560 -6.7560 -6.6961 -6.6961 -6.6694 -6.6694 -6.6620 -6.6620 -6.6153 -6.6153 -4.8356 -4.8356 -3.1424 -3.1424 1.3602 1.3602 6.1802 6.1802 6.4389 6.4389 7.2097 7.2097 7.5422 7.5422 7.6030 7.6030 7.6836 7.6836 8.2614 8.2614 10.9775 10.9775 11.3766 11.3766 k = 0.0000 0.0000 0.0000 ( 3039 PWs) bands (ev): -7.5851 -7.5851 -7.5439 -7.5439 -7.5398 -7.5398 -7.5299 -7.5299 -6.7939 -6.7939 -6.7560 -6.7560 -6.6961 -6.6961 -6.6694 -6.6694 -6.6620 -6.6620 -6.6153 -6.6153 -4.8356 -4.8356 -3.1424 -3.1424 1.3602 1.3602 6.1802 6.1802 6.4389 6.4389 7.2097 7.2097 7.5422 7.5422 7.6030 7.6030 7.6836 7.6836 8.2614 8.2614 10.9775 10.9775 11.3766 11.3766 k = 0.0000 0.0000 0.0133 ( 3039 PWs) bands (ev): -7.5850 -7.5850 -7.5439 -7.5439 -7.5399 -7.5399 -7.5299 -7.5299 -6.7939 -6.7939 -6.7561 -6.7561 -6.6960 -6.6960 -6.6695 -6.6695 -6.6619 -6.6619 -6.6154 -6.6154 -4.8342 -4.8342 -3.1457 -3.1457 1.3659 1.3659 6.1813 6.1813 6.4400 6.4400 7.1820 7.1820 7.4829 7.4829 7.6012 7.6012 7.7658 7.7658 8.2627 8.2627 10.9790 10.9790 11.3779 11.3779 k = 0.0000 0.0000 0.0266 ( 3051 PWs) bands (ev): -7.5848 -7.5848 -7.5438 -7.5438 -7.5400 -7.5400 -7.5299 -7.5299 -6.7939 -6.7939 -6.7563 -6.7563 -6.6959 -6.6959 -6.6696 -6.6696 -6.6617 -6.6617 -6.6156 -6.6156 -4.8300 -4.8300 -3.1553 -3.1553 1.3829 1.3829 6.1846 6.1846 6.4433 6.4433 7.0977 7.0977 7.4188 7.4188 7.5960 7.5960 7.8997 7.8997 8.2666 8.2666 10.9832 10.9832 11.3819 11.3819 k = 0.0000 0.0000 0.0399 ( 3057 PWs) bands (ev): -7.5845 -7.5845 -7.5438 -7.5438 -7.5402 -7.5402 -7.5300 -7.5300 -6.7938 -6.7938 -6.7566 -6.7566 -6.6958 -6.6958 -6.6698 -6.6698 -6.6615 -6.6615 -6.6158 -6.6158 -4.8230 -4.8230 -3.1711 -3.1711 1.4110 1.4110 6.1901 6.1901 6.4488 6.4488 6.9707 6.9707 7.3809 7.3809 7.5874 7.5874 8.0404 8.0404 8.2732 8.2732 10.9903 10.9903 11.3885 11.3885 k = 0.0000 0.0000 0.0533 ( 3069 PWs) bands (ev): -7.5841 -7.5841 -7.5437 -7.5437 -7.5405 -7.5405 -7.5301 -7.5301 -6.7937 -6.7937 -6.7571 -6.7571 -6.6956 -6.6956 -6.6702 -6.6702 -6.6611 -6.6611 -6.6162 -6.6162 -4.8133 -4.8133 -3.1928 -3.1928 1.4500 1.4500 6.1978 6.1978 6.4565 6.4565 6.8220 6.8220 7.3550 7.3550 7.5754 7.5754 8.1803 8.1803 8.2823 8.2823 11.0002 11.0002 11.3977 11.3977 k = 0.0000 0.0000 0.0666 ( 3075 PWs) bands (ev): -7.5835 -7.5835 -7.5435 -7.5435 -7.5409 -7.5409 -7.5303 -7.5303 -6.7935 -6.7935 -6.7576 -6.7576 -6.6953 -6.6953 -6.6706 -6.6706 -6.6606 -6.6606 -6.6167 -6.6167 -4.8008 -4.8008 -3.2202 -3.2202 1.4994 1.4994 6.2076 6.2076 6.4663 6.4663 6.6632 6.6632 7.3323 7.3323 7.5603 7.5603 8.2940 8.2940 8.3164 8.3164 11.0131 11.0131 11.4095 11.4095 k = 0.0000 0.0000 0.0799 ( 3075 PWs) bands (ev): -7.5829 -7.5829 -7.5434 -7.5434 -7.5414 -7.5414 -7.5305 -7.5305 -6.7934 -6.7934 -6.7583 -6.7583 -6.6950 -6.6950 -6.6711 -6.6711 -6.6600 -6.6600 -6.6173 -6.6173 -4.7855 -4.7855 -3.2528 -3.2528 1.5590 1.5590 6.2196 6.2196 6.4783 6.4783 6.4990 6.4990 7.3094 7.3094 7.5420 7.5420 8.3084 8.3084 8.4465 8.4465 11.0290 11.0290 11.4239 11.4239 k = 0.0000 0.0000 0.0932 ( 3075 PWs) bands (ev): -7.5821 -7.5821 -7.5432 -7.5432 -7.5420 -7.5420 -7.5307 -7.5307 -6.7931 -6.7931 -6.7591 -6.7591 -6.6946 -6.6946 -6.6717 -6.6717 -6.6593 -6.6593 -6.6179 -6.6179 -4.7676 -4.7676 -3.2900 -3.2900 1.6281 1.6281 6.2337 6.2337 6.3315 6.3315 6.4923 6.4923 7.2849 7.2849 7.5208 7.5208 8.3252 8.3252 8.5689 8.5689 11.0483 11.0483 11.4409 11.4409 k = 0.0000 0.0000 0.1065 ( 3075 PWs) bands (ev): -7.5812 -7.5812 -7.5429 -7.5429 -7.5426 -7.5426 -7.5310 -7.5310 -6.7928 -6.7928 -6.7601 -6.7601 -6.6942 -6.6942 -6.6723 -6.6723 -6.6585 -6.6585 -6.6187 -6.6187 -4.7470 -4.7470 -3.3315 -3.3315 1.7062 1.7062 6.1620 6.1620 6.2498 6.2498 6.5084 6.5084 7.2585 7.2585 7.4969 7.4969 8.3446 8.3446 8.6817 8.6817 11.0712 11.0712 11.4604 11.4604 k = 0.0000 0.0000 0.1198 ( 3086 PWs) bands (ev): -7.5803 -7.5803 -7.5433 -7.5433 -7.5427 -7.5427 -7.5312 -7.5312 -6.7925 -6.7925 -6.7611 -6.7611 -6.6938 -6.6938 -6.6730 -6.6730 -6.6577 -6.6577 -6.6196 -6.6196 -4.7238 -4.7238 -3.3767 -3.3767 1.7929 1.7929 5.9911 5.9911 6.2680 6.2680 6.5266 6.5266 7.2299 7.2299 7.4703 7.4703 8.3666 8.3666 8.7832 8.7832 11.0981 11.0981 11.4824 11.4824 k = 0.0000 0.0000 0.1332 ( 3068 PWs) bands (ev): -7.5792 -7.5792 -7.5441 -7.5441 -7.5424 -7.5424 -7.5315 -7.5315 -6.7921 -6.7921 -6.7622 -6.7622 -6.6932 -6.6932 -6.6737 -6.6737 -6.6567 -6.6567 -6.6205 -6.6205 -4.6979 -4.6979 -3.4251 -3.4251 1.8875 1.8875 5.8194 5.8194 6.2882 6.2882 6.5467 6.5467 7.1993 7.1993 7.4415 7.4415 8.3909 8.3909 8.8717 8.8717 11.1297 11.1297 11.5068 11.5068 k = 0.0000 0.0000 0.1465 ( 3086 PWs) bands (ev): -7.5780 -7.5780 -7.5450 -7.5450 -7.5421 -7.5421 -7.5319 -7.5319 -6.7917 -6.7917 -6.7634 -6.7634 -6.6927 -6.6927 -6.6744 -6.6744 -6.6556 -6.6556 -6.6216 -6.6216 -4.6695 -4.6695 -3.4763 -3.4763 1.9895 1.9895 5.6471 5.6471 6.3103 6.3103 6.5688 6.5688 7.1667 7.1667 7.4105 7.4105 8.4177 8.4177 8.9459 8.9459 11.1662 11.1662 11.5337 11.5337 k = 0.0000 0.0000 0.1598 ( 3086 PWs) bands (ev): -7.5768 -7.5768 -7.5460 -7.5460 -7.5418 -7.5418 -7.5322 -7.5322 -6.7911 -6.7911 -6.7647 -6.7647 -6.6921 -6.6921 -6.6752 -6.6752 -6.6545 -6.6545 -6.6227 -6.6227 -4.6387 -4.6387 -3.5296 -3.5296 2.0984 2.0984 5.4746 5.4746 6.3343 6.3343 6.5927 6.5927 7.1324 7.1324 7.3777 7.3777 8.4469 8.4469 9.0048 9.0048 11.2076 11.2076 11.5629 11.5629 k = 0.0000 0.0000 0.1731 ( 3086 PWs) bands (ev): -7.5755 -7.5755 -7.5470 -7.5470 -7.5415 -7.5415 -7.5326 -7.5326 -6.7906 -6.7906 -6.7660 -6.7660 -6.6915 -6.6915 -6.6760 -6.6760 -6.6533 -6.6533 -6.6239 -6.6239 -4.6053 -4.6053 -3.5847 -3.5847 2.2138 2.2138 5.3021 5.3021 6.3601 6.3601 6.6185 6.6185 7.0965 7.0965 7.3432 7.3432 8.4783 8.4783 9.0481 9.0481 11.2533 11.2533 11.5945 11.5945 k = 0.0000 0.0000 0.1864 ( 3074 PWs) bands (ev): -7.5742 -7.5742 -7.5481 -7.5481 -7.5411 -7.5411 -7.5330 -7.5330 -6.7899 -6.7899 -6.7674 -6.7674 -6.6909 -6.6909 -6.6769 -6.6769 -6.6520 -6.6520 -6.6251 -6.6251 -4.5697 -4.5697 -3.6411 -3.6411 2.3351 2.3351 5.1299 5.1299 6.3877 6.3877 6.6460 6.6460 7.0593 7.0593 7.3072 7.3072 8.5119 8.5119 9.0761 9.0761 11.3021 11.3021 11.6283 11.6283 k = 0.0000 0.0000 0.1997 ( 3062 PWs) bands (ev): -7.5727 -7.5727 -7.5492 -7.5492 -7.5407 -7.5407 -7.5334 -7.5334 -6.7892 -6.7892 -6.7689 -6.7689 -6.6902 -6.6902 -6.6777 -6.6777 -6.6507 -6.6507 -6.6265 -6.6265 -4.5317 -4.5317 -3.6986 -3.6986 2.4618 2.4618 4.9582 4.9582 6.4169 6.4169 6.6751 6.6751 7.0209 7.0209 7.2701 7.2701 8.5476 8.5476 9.0897 9.0897 11.3526 11.3526 11.6644 11.6644 k = 0.0000 0.0000 0.2130 ( 3062 PWs) bands (ev): -7.5713 -7.5713 -7.5505 -7.5505 -7.5403 -7.5403 -7.5339 -7.5339 -6.7883 -6.7883 -6.7703 -6.7703 -6.6895 -6.6895 -6.6785 -6.6785 -6.6493 -6.6493 -6.6278 -6.6278 -4.4914 -4.4914 -3.7566 -3.7566 2.5936 2.5936 4.7872 4.7872 6.4478 6.4478 6.7058 6.7058 6.9817 6.9817 7.2319 7.2319 8.5852 8.5852 9.0905 9.0905 11.4037 11.4037 11.7026 11.7026 k = 0.0000 0.0000 0.2264 ( 3062 PWs) bands (ev): -7.5698 -7.5698 -7.5517 -7.5517 -7.5399 -7.5399 -7.5343 -7.5343 -6.7875 -6.7875 -6.7718 -6.7718 -6.6888 -6.6888 -6.6794 -6.6794 -6.6478 -6.6478 -6.6293 -6.6293 -4.4491 -4.4491 -3.8148 -3.8148 2.7301 2.7301 4.6171 4.6171 6.4802 6.4802 6.7379 6.7379 6.9418 6.9418 7.1930 7.1930 8.6246 8.6246 9.0802 9.0802 11.4549 11.4549 11.7430 11.7430 k = 0.0000 0.0000 0.2397 ( 3080 PWs) bands (ev): -7.5682 -7.5682 -7.5531 -7.5531 -7.5395 -7.5395 -7.5348 -7.5348 -6.7865 -6.7865 -6.7733 -6.7733 -6.6881 -6.6881 -6.6802 -6.6802 -6.6464 -6.6464 -6.6307 -6.6307 -4.4046 -4.4046 -3.8731 -3.8731 2.8709 2.8709 4.4481 4.4481 6.5139 6.5139 6.7714 6.7714 6.9015 6.9015 7.1536 7.1536 8.6655 8.6655 9.0607 9.0607 11.5061 11.5061 11.7853 11.7853 k = 0.0000 0.0000 0.2530 ( 3080 PWs) bands (ev): -7.5667 -7.5667 -7.5545 -7.5545 -7.5390 -7.5390 -7.5352 -7.5352 -6.7854 -6.7854 -6.7748 -6.7748 -6.6874 -6.6874 -6.6811 -6.6811 -6.6448 -6.6448 -6.6323 -6.6323 -4.3582 -4.3582 -3.9310 -3.9310 3.0157 3.0157 4.2805 4.2805 6.5490 6.5490 6.8062 6.8062 6.8609 6.8609 7.1139 7.1139 8.7077 8.7077 9.0338 9.0338 11.5575 11.5575 11.8297 11.8297 k = 0.0000 0.0000 0.2663 ( 3092 PWs) bands (ev): -7.5651 -7.5651 -7.5559 -7.5559 -7.5386 -7.5386 -7.5357 -7.5357 -6.7843 -6.7843 -6.7763 -6.7763 -6.6866 -6.6866 -6.6819 -6.6819 -6.6433 -6.6433 -6.6338 -6.6338 -4.3099 -4.3099 -3.9884 -3.9884 3.1640 3.1640 4.1145 4.1145 6.5852 6.5852 6.8203 6.8203 6.8422 6.8422 7.0740 7.0740 8.7508 8.7508 9.0011 9.0011 11.6094 11.6094 11.8758 11.8758 k = 0.0000 0.0000 0.2796 ( 3086 PWs) bands (ev): -7.5636 -7.5636 -7.5574 -7.5574 -7.5381 -7.5381 -7.5362 -7.5362 -6.7831 -6.7831 -6.7778 -6.7778 -6.6859 -6.6859 -6.6827 -6.6827 -6.6417 -6.6417 -6.6354 -6.6354 -4.2599 -4.2599 -4.0450 -4.0450 3.3157 3.3157 3.9502 3.9502 6.6226 6.6226 6.7798 6.7798 6.8791 6.8791 7.0342 7.0342 8.7946 8.7946 8.9641 8.9641 11.6619 11.6619 11.8804 11.8804 k = 0.0000 0.0000 0.2929 ( 3086 PWs) bands (ev): -7.5620 -7.5620 -7.5589 -7.5589 -7.5376 -7.5376 -7.5367 -7.5367 -6.7819 -6.7819 -6.7792 -6.7792 -6.6851 -6.6851 -6.6835 -6.6835 -6.6401 -6.6401 -6.6369 -6.6369 -4.2083 -4.2083 -4.1007 -4.1007 3.4705 3.4705 3.7880 3.7880 6.6608 6.6608 6.7396 6.7396 6.9169 6.9169 6.9946 6.9946 8.8384 8.8384 8.9240 8.9240 11.7153 11.7153 11.8245 11.8245 k = 0.0000 0.0000 0.3063 ( 3074 PWs) bands (ev): -7.5604 -7.5604 -7.5604 -7.5604 -7.5372 -7.5372 -7.5372 -7.5372 -6.7806 -6.7806 -6.7806 -6.7806 -6.6843 -6.6843 -6.6843 -6.6843 -6.6385 -6.6385 -6.6385 -6.6385 -4.1551 -4.1551 -4.1551 -4.1551 3.6280 3.6280 3.6280 3.6280 6.6999 6.6999 6.6999 6.6999 6.9555 6.9555 6.9555 6.9555 8.8818 8.8818 8.8818 8.8818 11.7695 11.7695 11.7695 11.7695 k = 0.0000 0.0000 0.3063 ( 3074 PWs) bands (ev): -7.5604 -7.5604 -7.5604 -7.5604 -7.5372 -7.5372 -7.5372 -7.5372 -6.7806 -6.7806 -6.7806 -6.7806 -6.6843 -6.6843 -6.6843 -6.6843 -6.6385 -6.6385 -6.6385 -6.6385 -4.1551 -4.1551 -4.1551 -4.1551 3.6280 3.6280 3.6280 3.6280 6.6999 6.6999 6.6999 6.6999 6.9555 6.9555 6.9555 6.9555 8.8818 8.8818 8.8818 8.8818 11.7695 11.7695 11.7695 11.7695 k = 0.0114 0.0066 0.3063 ( 3086 PWs) bands (ev): -7.5620 -7.5620 -7.5592 -7.5592 -7.5370 -7.5370 -7.5370 -7.5370 -6.7830 -6.7830 -6.7782 -6.7782 -6.6846 -6.6846 -6.6839 -6.6839 -6.6385 -6.6385 -6.6385 -6.6385 -4.1545 -4.1545 -4.1534 -4.1534 3.6273 3.6273 3.6274 3.6274 6.6906 6.6906 6.6958 6.6958 6.9478 6.9478 6.9479 6.9479 8.8927 8.8927 8.8957 8.8957 11.7643 11.7643 11.7706 11.7706 k = 0.0227 0.0131 0.3063 ( 3084 PWs) bands (ev): -7.5637 -7.5637 -7.5583 -7.5583 -7.5367 -7.5367 -7.5366 -7.5366 -6.7856 -6.7856 -6.7760 -6.7760 -6.6849 -6.6849 -6.6834 -6.6834 -6.6386 -6.6386 -6.6386 -6.6386 -4.1515 -4.1515 -4.1493 -4.1493 3.6253 3.6253 3.6254 3.6254 6.6673 6.6673 6.6781 6.6781 6.9259 6.9259 6.9269 6.9269 8.9276 8.9276 8.9332 8.9332 11.7530 11.7530 11.7665 11.7665 k = 0.0341 0.0197 0.3063 ( 3088 PWs) bands (ev): -7.5656 -7.5656 -7.5576 -7.5576 -7.5362 -7.5362 -7.5359 -7.5359 -6.7882 -6.7882 -6.7739 -6.7739 -6.6850 -6.6850 -6.6829 -6.6829 -6.6386 -6.6386 -6.6386 -6.6386 -4.1462 -4.1462 -4.1429 -4.1429 3.6218 3.6218 3.6221 3.6221 6.6286 6.6286 6.6454 6.6454 6.8941 6.8941 6.8968 6.8968 8.9837 8.9837 8.9912 8.9912 11.7319 11.7319 11.7532 11.7532 k = 0.0455 0.0262 0.3063 ( 3084 PWs) bands (ev): -7.5676 -7.5676 -7.5573 -7.5573 -7.5356 -7.5356 -7.5349 -7.5349 -6.7909 -6.7909 -6.7720 -6.7720 -6.6851 -6.6851 -6.6823 -6.6823 -6.6387 -6.6387 -6.6386 -6.6386 -4.1385 -4.1385 -4.1341 -4.1341 3.6169 3.6169 3.6172 3.6172 6.5737 6.5737 6.5962 6.5962 6.8572 6.8572 6.8623 6.8623 9.0573 9.0573 9.0659 9.0659 11.6982 11.6982 11.7268 11.7268 k = 0.0568 0.0328 0.3063 ( 3086 PWs) bands (ev): -7.5697 -7.5697 -7.5573 -7.5573 -7.5348 -7.5348 -7.5337 -7.5337 -6.7936 -6.7936 -6.7702 -6.7702 -6.6850 -6.6850 -6.6817 -6.6817 -6.6388 -6.6388 -6.6386 -6.6386 -4.1284 -4.1284 -4.1230 -4.1230 3.6101 3.6101 3.6106 3.6106 6.5036 6.5036 6.5310 6.5310 6.8192 6.8192 6.8263 6.8263 9.1441 9.1441 9.1528 9.1528 11.6531 11.6531 11.6875 11.6875 k = 0.0682 0.0394 0.3063 ( 3086 PWs) bands (ev): -7.5718 -7.5718 -7.5575 -7.5575 -7.5340 -7.5340 -7.5324 -7.5324 -6.7963 -6.7963 -6.7686 -6.7686 -6.6849 -6.6849 -6.6811 -6.6811 -6.6389 -6.6389 -6.6387 -6.6387 -4.1160 -4.1160 -4.1097 -4.1097 3.6013 3.6013 3.6020 3.6020 6.4211 6.4211 6.4521 6.4521 6.7814 6.7814 6.7899 6.7899 9.2398 9.2398 9.2478 9.2478 11.6005 11.6005 11.6394 11.6394 k = 0.0795 0.0459 0.3063 ( 3090 PWs) bands (ev): -7.5740 -7.5740 -7.5579 -7.5579 -7.5331 -7.5331 -7.5309 -7.5309 -6.7991 -6.7991 -6.7672 -6.7672 -6.6847 -6.6847 -6.6804 -6.6804 -6.6391 -6.6391 -6.6386 -6.6386 -4.1013 -4.1013 -4.0941 -4.0941 3.5902 3.5902 3.5910 3.5910 6.3297 6.3297 6.3633 6.3633 6.7437 6.7437 6.7530 6.7530 9.3405 9.3405 9.3469 9.3469 11.5448 11.5448 11.5877 11.5877 k = 0.0909 0.0525 0.3063 ( 3088 PWs) bands (ev): -7.5762 -7.5762 -7.5584 -7.5584 -7.5322 -7.5322 -7.5293 -7.5293 -6.8017 -6.8017 -6.7659 -6.7659 -6.6843 -6.6843 -6.6797 -6.6797 -6.6392 -6.6392 -6.6386 -6.6386 -4.0843 -4.0843 -4.0763 -4.0763 3.5763 3.5763 3.5772 3.5772 6.2330 6.2330 6.2682 6.2682 6.7054 6.7054 6.7151 6.7151 9.4424 9.4424 9.4463 9.4463 11.4899 11.4899 11.5367 11.5367 k = 0.1023 0.0590 0.3063 ( 3092 PWs) bands (ev): -7.5784 -7.5784 -7.5590 -7.5590 -7.5312 -7.5312 -7.5278 -7.5278 -6.8044 -6.8044 -6.7649 -6.7649 -6.6839 -6.6839 -6.6790 -6.6790 -6.6394 -6.6394 -6.6385 -6.6385 -4.0651 -4.0651 -4.0563 -4.0563 3.5591 3.5591 3.5603 3.5603 6.1337 6.1337 6.1701 6.1701 6.6660 6.6660 6.6758 6.6758 9.5416 9.5416 9.5424 9.5424 11.4395 11.4395 11.4902 11.4902 k = 0.1136 0.0656 0.3063 ( 3092 PWs) bands (ev): -7.5806 -7.5806 -7.5598 -7.5598 -7.5302 -7.5302 -7.5262 -7.5262 -6.8069 -6.8069 -6.7640 -6.7640 -6.6834 -6.6834 -6.6784 -6.6784 -6.6396 -6.6396 -6.6384 -6.6384 -4.0437 -4.0437 -4.0341 -4.0341 3.5382 3.5382 3.5397 3.5397 6.0344 6.0344 6.0714 6.0714 6.6252 6.6252 6.6351 6.6351 9.6314 9.6314 9.6344 9.6344 11.3967 11.3967 11.4514 11.4514 k = 0.1250 0.0722 0.3063 ( 3092 PWs) bands (ev): -7.5827 -7.5827 -7.5606 -7.5606 -7.5292 -7.5292 -7.5246 -7.5246 -6.8094 -6.8094 -6.7633 -6.7633 -6.6829 -6.6829 -6.6777 -6.6777 -6.6398 -6.6398 -6.6382 -6.6382 -4.0200 -4.0200 -4.0099 -4.0099 3.5131 3.5131 3.5149 3.5149 5.9370 5.9370 5.9744 5.9744 6.5830 6.5830 6.5928 6.5928 9.7099 9.7099 9.7169 9.7169 11.3645 11.3645 11.4232 11.4232 k = 0.1364 0.0787 0.3063 ( 3094 PWs) bands (ev): -7.5848 -7.5848 -7.5615 -7.5615 -7.5282 -7.5282 -7.5231 -7.5231 -6.8118 -6.8118 -6.7628 -6.7628 -6.6823 -6.6823 -6.6771 -6.6771 -6.6400 -6.6400 -6.6379 -6.6379 -3.9943 -3.9943 -3.9837 -3.9837 3.4831 3.4831 3.4854 3.4854 5.8431 5.8431 5.8807 5.8807 6.5394 6.5394 6.5491 6.5491 9.7744 9.7744 9.7856 9.7856 11.3453 11.3453 11.4075 11.4075 k = 0.1477 0.0853 0.3063 ( 3102 PWs) bands (ev): -7.5869 -7.5869 -7.5624 -7.5624 -7.5272 -7.5272 -7.5217 -7.5217 -6.8140 -6.8140 -6.7625 -6.7625 -6.6816 -6.6816 -6.6765 -6.6765 -6.6402 -6.6402 -6.6376 -6.6376 -3.9665 -3.9665 -3.9555 -3.9555 3.4477 3.4477 3.4505 3.4505 5.7543 5.7543 5.7918 5.7918 6.4946 6.4946 6.5043 6.5043 9.8225 9.8225 9.8373 9.8373 11.3407 11.3407 11.4054 11.4054 k = 0.1591 0.0919 0.3063 ( 3100 PWs) bands (ev): -7.5889 -7.5889 -7.5634 -7.5634 -7.5262 -7.5262 -7.5203 -7.5203 -6.8162 -6.8162 -6.7624 -6.7624 -6.6809 -6.6809 -6.6760 -6.6760 -6.6403 -6.6403 -6.6372 -6.6372 -3.9367 -3.9367 -3.9253 -3.9253 3.4065 3.4065 3.4099 3.4099 5.6717 5.6717 5.7088 5.7088 6.4488 6.4488 6.4584 6.4584 9.8529 9.8529 9.8705 9.8705 11.3503 11.3504 11.4161 11.4161 k = 0.1705 0.0984 0.3063 ( 3100 PWs) bands (ev): -7.5908 -7.5908 -7.5644 -7.5644 -7.5251 -7.5251 -7.5190 -7.5190 -6.8181 -6.8181 -6.7624 -6.7624 -6.6801 -6.6801 -6.6755 -6.6755 -6.6404 -6.6404 -6.6368 -6.6368 -3.9050 -3.9050 -3.8934 -3.8934 3.3590 3.3590 3.3631 3.3631 5.5962 5.5962 5.6328 5.6328 6.4022 6.4022 6.4118 6.4118 9.8659 9.8659 9.8851 9.8851 11.3721 11.3721 11.4370 11.4370 k = 0.1818 0.1050 0.3063 ( 3104 PWs) bands (ev): -7.5927 -7.5927 -7.5655 -7.5655 -7.5241 -7.5241 -7.5178 -7.5178 -6.8199 -6.8199 -6.7626 -6.7626 -6.6794 -6.6794 -6.6751 -6.6751 -6.6405 -6.6405 -6.6362 -6.6362 -3.8714 -3.8714 -3.8596 -3.8596 3.3051 3.3051 3.3099 3.3099 5.5284 5.5285 5.5644 5.5644 6.3552 6.3552 6.3646 6.3646 9.8630 9.8630 9.8827 9.8827 11.4015 11.4015 11.4637 11.4637 k = 0.1932 0.1115 0.3063 ( 3096 PWs) bands (ev): -7.5945 -7.5945 -7.5666 -7.5666 -7.5232 -7.5232 -7.5167 -7.5167 -6.8216 -6.8216 -6.7630 -6.7630 -6.6786 -6.6786 -6.6748 -6.6748 -6.6405 -6.6405 -6.6356 -6.6356 -3.8360 -3.8360 -3.8242 -3.8242 3.2446 3.2446 3.2502 3.2502 5.4690 5.4690 5.5041 5.5041 6.3078 6.3078 6.3172 6.3172 9.8465 9.8465 9.8660 9.8660 11.4330 11.4330 11.4908 11.4908 k = 0.2045 0.1181 0.3063 ( 3100 PWs) bands (ev): -7.5962 -7.5962 -7.5677 -7.5677 -7.5222 -7.5222 -7.5157 -7.5157 -6.8230 -6.8230 -6.7635 -6.7635 -6.6779 -6.6779 -6.6745 -6.6745 -6.6404 -6.6404 -6.6349 -6.6349 -3.7990 -3.7990 -3.7872 -3.7872 3.1777 3.1777 3.1842 3.1842 5.4179 5.4179 5.4521 5.4521 6.2605 6.2605 6.2697 6.2697 9.8193 9.8193 9.8378 9.8378 11.4608 11.4608 11.5130 11.5130 k = 0.2159 0.1247 0.3063 ( 3104 PWs) bands (ev): -7.5979 -7.5979 -7.5689 -7.5689 -7.5213 -7.5213 -7.5148 -7.5148 -6.8243 -6.8243 -6.7641 -6.7641 -6.6771 -6.6771 -6.6742 -6.6742 -6.6403 -6.6403 -6.6342 -6.6342 -3.7605 -3.7605 -3.7488 -3.7488 3.1048 3.1048 3.1121 3.1121 5.3752 5.3752 5.4083 5.4083 6.2133 6.2133 6.2225 6.2225 9.7839 9.7839 9.8010 9.8010 11.4799 11.4799 11.5259 11.5259 k = 0.2273 0.1312 0.3063 ( 3104 PWs) bands (ev): -7.5994 -7.5994 -7.5702 -7.5702 -7.5204 -7.5204 -7.5140 -7.5140 -6.8254 -6.8254 -6.7649 -6.7649 -6.6764 -6.6764 -6.6740 -6.6740 -6.6401 -6.6401 -6.6334 -6.6334 -3.7204 -3.7204 -3.7089 -3.7089 3.0264 3.0264 3.0345 3.0345 5.3406 5.3406 5.3726 5.3726 6.1666 6.1666 6.1756 6.1756 9.7426 9.7426 9.7581 9.7581 11.4872 11.4872 11.5268 11.5268 k = 0.2386 0.1378 0.3063 ( 3116 PWs) bands (ev): -7.6009 -7.6009 -7.5715 -7.5715 -7.5195 -7.5195 -7.5132 -7.5132 -6.8262 -6.8262 -6.7659 -6.7659 -6.6758 -6.6758 -6.6739 -6.6739 -6.6398 -6.6398 -6.6326 -6.6326 -3.6791 -3.6791 -3.6678 -3.6678 2.9431 2.9431 2.9520 2.9520 5.3135 5.3135 5.3444 5.3444 6.1205 6.1205 6.1294 6.1294 9.6971 9.6971 9.7110 9.7110 11.4813 11.4813 11.5151 11.5151 k = 0.2500 0.1443 0.3063 ( 3112 PWs) bands (ev): -7.6023 -7.6023 -7.5728 -7.5728 -7.5187 -7.5187 -7.5125 -7.5125 -6.8269 -6.8269 -6.7669 -6.7669 -6.6752 -6.6752 -6.6738 -6.6738 -6.6395 -6.6395 -6.6317 -6.6317 -3.6366 -3.6366 -3.6256 -3.6256 2.8557 2.8557 2.8653 2.8653 5.2935 5.2935 5.3233 5.3233 6.0752 6.0752 6.0839 6.0839 9.6490 9.6490 9.6613 9.6613 11.4626 11.4626 11.4913 11.4913 k = 0.2614 0.1509 0.3063 ( 3116 PWs) bands (ev): -7.6035 -7.6035 -7.5742 -7.5742 -7.5179 -7.5179 -7.5120 -7.5120 -6.8274 -6.8274 -6.7680 -6.7680 -6.6746 -6.6746 -6.6737 -6.6737 -6.6390 -6.6390 -6.6308 -6.6308 -3.5931 -3.5931 -3.5825 -3.5825 2.7650 2.7650 2.7753 2.7753 5.2798 5.2798 5.3085 5.3085 6.0309 6.0309 6.0395 6.0395 9.5994 9.5994 9.6102 9.6102 11.4326 11.4326 11.4572 11.4572 k = 0.2727 0.1575 0.3063 ( 3112 PWs) bands (ev): -7.6047 -7.6047 -7.5756 -7.5756 -7.5171 -7.5171 -7.5114 -7.5114 -6.8278 -6.8278 -6.7693 -6.7693 -6.6741 -6.6741 -6.6737 -6.6737 -6.6385 -6.6385 -6.6299 -6.6299 -3.5487 -3.5487 -3.5385 -3.5385 2.6720 2.6720 2.6827 2.6827 5.2719 5.2719 5.2994 5.2994 5.9878 5.9878 5.9963 5.9963 9.5492 9.5492 9.5585 9.5585 11.3935 11.3935 11.4146 11.4146 k = 0.2841 0.1640 0.3063 ( 3124 PWs) bands (ev): -7.6058 -7.6058 -7.5771 -7.5771 -7.5164 -7.5164 -7.5110 -7.5110 -6.8279 -6.8279 -6.7706 -6.7706 -6.6737 -6.6737 -6.6737 -6.6737 -6.6378 -6.6378 -6.6290 -6.6290 -3.5036 -3.5036 -3.4939 -3.4939 2.5773 2.5773 2.5884 2.5884 5.2689 5.2689 5.2954 5.2954 5.9460 5.9460 5.9543 5.9543 9.4990 9.4990 9.5070 9.5070 11.3471 11.3471 11.3655 11.3655 k = 0.2955 0.1706 0.3063 ( 3120 PWs) bands (ev): -7.6067 -7.6067 -7.5786 -7.5786 -7.5157 -7.5157 -7.5106 -7.5106 -6.8278 -6.8278 -6.7721 -6.7721 -6.6737 -6.6737 -6.6733 -6.6733 -6.6371 -6.6371 -6.6280 -6.6280 -3.4581 -3.4581 -3.4488 -3.4488 2.4819 2.4819 2.4933 2.4933 5.2702 5.2702 5.2956 5.2956 5.9058 5.9058 5.9139 5.9139 9.4496 9.4496 9.4562 9.4562 11.2956 11.2956 11.3117 11.3117 k = 0.3068 0.1771 0.3063 ( 3116 PWs) bands (ev): -7.6076 -7.6076 -7.5801 -7.5801 -7.5150 -7.5150 -7.5103 -7.5103 -6.8276 -6.8276 -6.7736 -6.7736 -6.6737 -6.6737 -6.6730 -6.6730 -6.6363 -6.6363 -6.6271 -6.6271 -3.4123 -3.4123 -3.4036 -3.4036 2.3865 2.3865 2.3980 2.3980 5.2752 5.2752 5.2996 5.2996 5.8671 5.8671 5.8751 5.8751 9.4011 9.4011 9.4066 9.4066 11.2405 11.2405 11.2548 11.2548 k = 0.3182 0.1837 0.3063 ( 3112 PWs) bands (ev): -7.6083 -7.6083 -7.5817 -7.5817 -7.5144 -7.5144 -7.5100 -7.5100 -6.8272 -6.8272 -6.7752 -6.7752 -6.6738 -6.6738 -6.6727 -6.6727 -6.6355 -6.6355 -6.6263 -6.6263 -3.3665 -3.3665 -3.3583 -3.3583 2.2918 2.2918 2.3034 2.3034 5.2831 5.2831 5.3065 5.3065 5.8302 5.8302 5.8380 5.8380 9.3541 9.3541 9.3585 9.3585 11.1833 11.1833 11.1961 11.1961 k = 0.3295 0.1903 0.3063 ( 3112 PWs) bands (ev): -7.6090 -7.6090 -7.5832 -7.5832 -7.5138 -7.5138 -7.5097 -7.5097 -6.8267 -6.8267 -6.7768 -6.7768 -6.6738 -6.6738 -6.6725 -6.6725 -6.6346 -6.6346 -6.6255 -6.6255 -3.3209 -3.3209 -3.3133 -3.3133 2.1987 2.1987 2.2102 2.2102 5.2935 5.2935 5.3159 5.3159 5.7952 5.7952 5.8028 5.8028 9.3088 9.3088 9.3123 9.3123 11.1252 11.1252 11.1367 11.1367 k = 0.3409 0.1968 0.3063 ( 3116 PWs) bands (ev): -7.6095 -7.6095 -7.5849 -7.5849 -7.5133 -7.5133 -7.5095 -7.5095 -6.8260 -6.8260 -6.7786 -6.7786 -6.6739 -6.6739 -6.6724 -6.6724 -6.6336 -6.6336 -6.6247 -6.6247 -3.2759 -3.2759 -3.2689 -3.2689 2.1077 2.1077 2.1191 2.1191 5.3058 5.3058 5.3271 5.3271 5.7622 5.7622 5.7697 5.7697 9.2654 9.2654 9.2680 9.2680 11.0672 11.0672 11.0776 11.0776 k = 0.3523 0.2034 0.3063 ( 3118 PWs) bands (ev): -7.6099 -7.6099 -7.5865 -7.5865 -7.5128 -7.5128 -7.5094 -7.5094 -6.8252 -6.8252 -6.7803 -6.7803 -6.6739 -6.6739 -6.6723 -6.6723 -6.6326 -6.6326 -6.6240 -6.6240 -3.2316 -3.2316 -3.2253 -3.2253 2.0196 2.0196 2.0306 2.0306 5.3194 5.3194 5.3397 5.3397 5.7314 5.7314 5.7386 5.7386 9.2241 9.2241 9.2260 9.2260 11.0102 11.0102 11.0196 11.0196 k = 0.3636 0.2099 0.3063 ( 3120 PWs) bands (ev): -7.6102 -7.6102 -7.5881 -7.5881 -7.5123 -7.5123 -7.5092 -7.5092 -6.8242 -6.8242 -6.7822 -6.7822 -6.6739 -6.6739 -6.6722 -6.6722 -6.6316 -6.6316 -6.6233 -6.6233 -3.1886 -3.1886 -3.1828 -3.1828 1.9349 1.9349 1.9455 1.9455 5.3337 5.3337 5.3530 5.3530 5.7029 5.7029 5.7099 5.7099 9.1852 9.1852 9.1864 9.1864 10.9550 10.9550 10.9635 10.9635 k = 0.3750 0.2165 0.3063 ( 3132 PWs) bands (ev): -7.6104 -7.6104 -7.5897 -7.5897 -7.5119 -7.5119 -7.5091 -7.5091 -6.8231 -6.8231 -6.7840 -6.7840 -6.6739 -6.6739 -6.6722 -6.6722 -6.6306 -6.6306 -6.6227 -6.6227 -3.1470 -3.1470 -3.1417 -3.1417 1.8543 1.8543 1.8644 1.8644 5.3485 5.3485 5.3666 5.3666 5.6768 5.6768 5.6835 5.6835 9.1487 9.1487 9.1493 9.1493 10.9021 10.9021 10.9098 10.9098 k = 0.3864 0.2231 0.3063 ( 3128 PWs) bands (ev): -7.6105 -7.6105 -7.5913 -7.5913 -7.5115 -7.5115 -7.5091 -7.5091 -6.8219 -6.8219 -6.7859 -6.7859 -6.6739 -6.6739 -6.6722 -6.6722 -6.6296 -6.6296 -6.6222 -6.6222 -3.1072 -3.1072 -3.1025 -3.1025 1.7783 1.7783 1.7879 1.7879 5.3630 5.3630 5.3800 5.3800 5.6532 5.6532 5.6597 5.6597 9.1148 9.1148 9.1150 9.1150 10.8522 10.8522 10.8590 10.8590 k = 0.3977 0.2296 0.3063 ( 3124 PWs) bands (ev): -7.6105 -7.6105 -7.5929 -7.5929 -7.5111 -7.5111 -7.5090 -7.5090 -6.8206 -6.8206 -6.7878 -6.7878 -6.6739 -6.6739 -6.6722 -6.6722 -6.6286 -6.6286 -6.6218 -6.6218 -3.0696 -3.0696 -3.0655 -3.0655 1.7075 1.7075 1.7164 1.7164 5.3770 5.3770 5.3927 5.3927 5.6324 5.6324 5.6385 5.6385 9.0834 9.0834 9.0836 9.0836 10.8057 10.8057 10.8118 10.8118 k = 0.4091 0.2362 0.3063 ( 3120 PWs) bands (ev): -7.6103 -7.6103 -7.5945 -7.5945 -7.5108 -7.5108 -7.5089 -7.5089 -6.8192 -6.8192 -6.7898 -6.7898 -6.6739 -6.6739 -6.6723 -6.6723 -6.6277 -6.6277 -6.6214 -6.6214 -3.0346 -3.0346 -3.0311 -3.0311 1.6425 1.6425 1.6507 1.6507 5.3899 5.3899 5.4042 5.4042 5.6145 5.6145 5.6201 5.6201 9.0549 9.0549 9.0554 9.0554 10.7630 10.7630 10.7684 10.7684 k = 0.4205 0.2427 0.3063 ( 3126 PWs) bands (ev): -7.6100 -7.6100 -7.5960 -7.5960 -7.5105 -7.5105 -7.5089 -7.5089 -6.8177 -6.8177 -6.7917 -6.7917 -6.6738 -6.6738 -6.6723 -6.6723 -6.6268 -6.6268 -6.6212 -6.6212 -3.0026 -3.0026 -2.9996 -2.9996 1.5838 1.5838 1.5911 1.5911 5.4013 5.4013 5.4141 5.4141 5.5995 5.5995 5.6046 5.6046 9.0294 9.0294 9.0301 9.0301 10.7246 10.7246 10.7292 10.7292 k = 0.4318 0.2493 0.3063 ( 3128 PWs) bands (ev): -7.6097 -7.6097 -7.5975 -7.5975 -7.5102 -7.5102 -7.5089 -7.5089 -6.8161 -6.8161 -6.7937 -6.7937 -6.6738 -6.6738 -6.6724 -6.6724 -6.6259 -6.6259 -6.6210 -6.6210 -2.9739 -2.9739 -2.9714 -2.9714 1.5318 1.5318 1.5382 1.5382 5.4110 5.4110 5.4222 5.4222 5.5876 5.5876 5.5921 5.5921 9.0071 9.0071 9.0079 9.0079 10.6907 10.6907 10.6946 10.6946 k = 0.4432 0.2559 0.3063 ( 3120 PWs) bands (ev): -7.6092 -7.6092 -7.5989 -7.5989 -7.5100 -7.5100 -7.5089 -7.5089 -6.8145 -6.8145 -6.7957 -6.7957 -6.6737 -6.6737 -6.6725 -6.6725 -6.6250 -6.6250 -6.6209 -6.6209 -2.9489 -2.9489 -2.9468 -2.9468 1.4871 1.4871 1.4925 1.4925 5.4188 5.4188 5.4281 5.4281 5.5788 5.5788 5.5824 5.5824 8.9881 8.9881 8.9888 8.9888 10.6616 10.6616 10.6648 10.6648 k = 0.4545 0.2624 0.3063 ( 3116 PWs) bands (ev): -7.6086 -7.6086 -7.6003 -7.6003 -7.5098 -7.5098 -7.5089 -7.5089 -6.8127 -6.8127 -6.7977 -6.7977 -6.6736 -6.6736 -6.6727 -6.6727 -6.6243 -6.6243 -6.6209 -6.6209 -2.9279 -2.9279 -2.9263 -2.9263 1.4500 1.4500 1.4544 1.4544 5.4247 5.4247 5.4321 5.4321 5.5726 5.5726 5.5754 5.5754 8.9724 8.9724 8.9731 8.9731 10.6376 10.6376 10.6401 10.6401 k = 0.4659 0.2690 0.3063 ( 3120 PWs) bands (ev): -7.6079 -7.6079 -7.6016 -7.6016 -7.5096 -7.5096 -7.5090 -7.5090 -6.8110 -6.8110 -6.7996 -6.7996 -6.6735 -6.6735 -6.6728 -6.6728 -6.6236 -6.6236 -6.6210 -6.6210 -2.9112 -2.9112 -2.9100 -2.9100 1.4209 1.4209 1.4242 1.4242 5.4288 5.4288 5.4343 5.4343 5.5687 5.5687 5.5707 5.5708 8.9602 8.9602 8.9608 8.9608 10.6187 10.6187 10.6206 10.6206 k = 0.4773 0.2756 0.3063 ( 3124 PWs) bands (ev): -7.6070 -7.6070 -7.6029 -7.6029 -7.5095 -7.5095 -7.5090 -7.5090 -6.8092 -6.8092 -6.8016 -6.8016 -6.6734 -6.6734 -6.6729 -6.6729 -6.6229 -6.6229 -6.6212 -6.6212 -2.8990 -2.8990 -2.8982 -2.8982 1.4000 1.4000 1.4023 1.4023 5.4316 5.4316 5.4352 5.4352 5.5666 5.5666 5.5678 5.5679 8.9514 8.9514 8.9519 8.9519 10.6053 10.6053 10.6065 10.6065 k = 0.4886 0.2821 0.3063 ( 3124 PWs) bands (ev): -7.6061 -7.6061 -7.6041 -7.6041 -7.5093 -7.5093 -7.5091 -7.5091 -6.8073 -6.8073 -6.8035 -6.8035 -6.6733 -6.6733 -6.6730 -6.6730 -6.6224 -6.6224 -6.6215 -6.6215 -2.8916 -2.8916 -2.8912 -2.8912 1.3877 1.3877 1.3888 1.3888 5.4334 5.4334 5.4352 5.4352 5.5657 5.5657 5.5662 5.5662 8.9462 8.9462 8.9464 8.9464 10.5973 10.5973 10.5979 10.5979 k = 0.5000 0.2887 0.3063 ( 3120 PWs) bands (ev): -7.6051 -7.6051 -7.6051 -7.6051 -7.5092 -7.5092 -7.5092 -7.5092 -6.8054 -6.8054 -6.8054 -6.8054 -6.6732 -6.6732 -6.6732 -6.6732 -6.6219 -6.6219 -6.6219 -6.6219 -2.8890 -2.8890 -2.8890 -2.8890 1.3839 1.3839 1.3839 1.3839 5.4346 5.4346 5.4346 5.4346 5.5656 5.5656 5.5656 5.5656 8.9446 8.9446 8.9446 8.9446 10.5948 10.5948 10.5948 10.5948 k = 0.5000 0.2887 0.3063 ( 3120 PWs) bands (ev): -7.6051 -7.6051 -7.6051 -7.6051 -7.5092 -7.5092 -7.5092 -7.5092 -6.8054 -6.8054 -6.8054 -6.8054 -6.6732 -6.6732 -6.6732 -6.6732 -6.6219 -6.6219 -6.6219 -6.6219 -2.8890 -2.8890 -2.8890 -2.8890 1.3839 1.3839 1.3839 1.3839 5.4346 5.4346 5.4346 5.4346 5.5656 5.5656 5.5656 5.5656 8.9446 8.9446 8.9446 8.9446 10.5948 10.5948 10.5948 10.5948 k = 0.4933 0.3002 0.3063 ( 3124 PWs) bands (ev): -7.6076 -7.6076 -7.6027 -7.6027 -7.5101 -7.5101 -7.5083 -7.5083 -6.8090 -6.8090 -6.8019 -6.8019 -6.6736 -6.6736 -6.6726 -6.6726 -6.6226 -6.6226 -6.6212 -6.6212 -2.8887 -2.8887 -2.8879 -2.8879 1.3830 1.3830 1.3856 1.3856 5.4048 5.4048 5.4339 5.4339 5.5548 5.5548 5.5932 5.5932 8.9463 8.9463 8.9577 8.9577 10.5975 10.5975 10.6008 10.6008 k = 0.4867 0.3118 0.3063 ( 3130 PWs) bands (ev): -7.6100 -7.6100 -7.6002 -7.6002 -7.5109 -7.5109 -7.5073 -7.5073 -6.8127 -6.8127 -6.7985 -6.7985 -6.6740 -6.6740 -6.6721 -6.6721 -6.6234 -6.6234 -6.6207 -6.6207 -2.8870 -2.8870 -2.8854 -2.8854 1.3827 1.3827 1.3879 1.3879 5.3592 5.3592 5.3973 5.3973 5.5668 5.5668 5.6231 5.6231 8.9628 8.9628 8.9851 8.9851 10.6090 10.6090 10.6156 10.6156 k = 0.4800 0.3233 0.3063 ( 3138 PWs) bands (ev): -7.6125 -7.6125 -7.5978 -7.5978 -7.5117 -7.5117 -7.5063 -7.5063 -6.8164 -6.8164 -6.7952 -6.7952 -6.6743 -6.6743 -6.6715 -6.6715 -6.6242 -6.6242 -6.6201 -6.6201 -2.8841 -2.8841 -2.8817 -2.8817 1.3831 1.3831 1.3909 1.3909 5.3034 5.3034 5.3403 5.3403 5.5871 5.5871 5.6505 5.6505 8.9929 8.9929 9.0255 9.0255 10.6296 10.6296 10.6394 10.6394 k = 0.4733 0.3349 0.3063 ( 3134 PWs) bands (ev): -7.6148 -7.6148 -7.5955 -7.5955 -7.5124 -7.5124 -7.5053 -7.5053 -6.8200 -6.8200 -6.7921 -6.7921 -6.6745 -6.6745 -6.6708 -6.6708 -6.6251 -6.6251 -6.6197 -6.6197 -2.8798 -2.8798 -2.8766 -2.8766 1.3841 1.3841 1.3946 1.3946 5.2392 5.2392 5.2719 5.2719 5.6082 5.6082 5.6744 5.6744 9.0348 9.0348 9.0768 9.0768 10.6599 10.6599 10.6729 10.6729 k = 0.4667 0.3464 0.3063 ( 3134 PWs) bands (ev): -7.6171 -7.6171 -7.5932 -7.5932 -7.5131 -7.5131 -7.5042 -7.5042 -6.8237 -6.8237 -6.7891 -6.7891 -6.6747 -6.6747 -6.6701 -6.6701 -6.6260 -6.6260 -6.6192 -6.6192 -2.8742 -2.8742 -2.8703 -2.8703 1.3857 1.3857 1.3988 1.3988 5.1678 5.1678 5.1956 5.1956 5.6281 5.6281 5.6954 5.6954 9.0862 9.0862 9.1365 9.1365 10.7007 10.7007 10.7166 10.7166 k = 0.4600 0.3580 0.3063 ( 3146 PWs) bands (ev): -7.6193 -7.6193 -7.5910 -7.5910 -7.5137 -7.5137 -7.5031 -7.5031 -6.8273 -6.8273 -6.7863 -6.7863 -6.6747 -6.6747 -6.6693 -6.6693 -6.6270 -6.6270 -6.6189 -6.6189 -2.8674 -2.8674 -2.8628 -2.8628 1.3877 1.3877 1.4035 1.4035 5.0902 5.0902 5.1137 5.1137 5.6467 5.6467 5.7140 5.7140 9.1446 9.1446 9.2018 9.2018 10.7528 10.7528 10.7714 10.7714 k = 0.4533 0.3695 0.3063 ( 3146 PWs) bands (ev): -7.6215 -7.6215 -7.5889 -7.5889 -7.5143 -7.5143 -7.5019 -7.5019 -6.8309 -6.8309 -6.7837 -6.7837 -6.6747 -6.6747 -6.6685 -6.6685 -6.6280 -6.6280 -6.6185 -6.6185 -2.8594 -2.8594 -2.8542 -2.8542 1.3901 1.3901 1.4086 1.4086 5.0073 5.0073 5.0278 5.0278 5.6640 5.6640 5.7308 5.7308 9.2070 9.2070 9.2698 9.2698 10.8170 10.8170 10.8379 10.8379 k = 0.4467 0.3811 0.3063 ( 3138 PWs) bands (ev): -7.6236 -7.6236 -7.5869 -7.5869 -7.5148 -7.5148 -7.5008 -7.5008 -6.8343 -6.8343 -6.7812 -6.7812 -6.6746 -6.6746 -6.6677 -6.6677 -6.6290 -6.6290 -6.6183 -6.6183 -2.8503 -2.8503 -2.8446 -2.8446 1.3928 1.3928 1.4140 1.4140 4.9204 4.9204 4.9396 4.9396 5.6805 5.6805 5.7464 5.7464 9.2708 9.2708 9.3379 9.3379 10.8940 10.8940 10.9167 10.9167 k = 0.4400 0.3926 0.3063 ( 3138 PWs) bands (ev): -7.6255 -7.6255 -7.5850 -7.5850 -7.5152 -7.5152 -7.4996 -7.4996 -6.8377 -6.8377 -6.7790 -6.7790 -6.6744 -6.6744 -6.6668 -6.6668 -6.6301 -6.6301 -6.6180 -6.6180 -2.8403 -2.8403 -2.8340 -2.8340 1.3957 1.3957 1.4195 1.4195 4.8309 4.8309 4.8503 4.8503 5.6962 5.6962 5.7612 5.7612 9.3337 9.3337 9.4037 9.4037 10.9842 10.9842 11.0082 11.0082 k = 0.4333 0.4041 0.3063 ( 3136 PWs) bands (ev): -7.6274 -7.6274 -7.5833 -7.5833 -7.5156 -7.5156 -7.4984 -7.4984 -6.8409 -6.8409 -6.7771 -6.7771 -6.6741 -6.6741 -6.6659 -6.6659 -6.6313 -6.6313 -6.6178 -6.6178 -2.8294 -2.8294 -2.8226 -2.8226 1.3985 1.3985 1.4251 1.4251 4.7402 4.7402 4.7609 4.7609 5.7113 5.7113 5.7753 5.7753 9.3936 9.3936 9.4654 9.4654 11.0875 11.0875 11.1121 11.1121 k = 0.4267 0.4157 0.3063 ( 3132 PWs) bands (ev): -7.6291 -7.6291 -7.5817 -7.5817 -7.5160 -7.5160 -7.4973 -7.4973 -6.8440 -6.8440 -6.7753 -6.7753 -6.6738 -6.6738 -6.6650 -6.6650 -6.6325 -6.6325 -6.6177 -6.6177 -2.8177 -2.8177 -2.8105 -2.8105 1.4012 1.4012 1.4306 1.4306 4.6498 4.6498 4.6725 4.6725 5.7261 5.7261 5.7891 5.7891 9.4492 9.4492 9.5216 9.5216 11.2029 11.2029 11.2277 11.2277 k = 0.4200 0.4272 0.3063 ( 3120 PWs) bands (ev): -7.6308 -7.6308 -7.5802 -7.5802 -7.5162 -7.5162 -7.4961 -7.4961 -6.8469 -6.8469 -6.7737 -6.7737 -6.6734 -6.6734 -6.6640 -6.6640 -6.6336 -6.6336 -6.6175 -6.6175 -2.8054 -2.8054 -2.7978 -2.7978 1.4037 1.4037 1.4358 1.4358 4.5611 4.5611 4.5859 4.5859 5.7405 5.7405 5.8026 5.8026 9.4995 9.4995 9.5718 9.5718 11.3291 11.3291 11.3536 11.3536 k = 0.4133 0.4388 0.3063 ( 3120 PWs) bands (ev): -7.6323 -7.6323 -7.5790 -7.5790 -7.5165 -7.5165 -7.4950 -7.4950 -6.8496 -6.8496 -6.7724 -6.7724 -6.6730 -6.6730 -6.6630 -6.6630 -6.6349 -6.6349 -6.6174 -6.6174 -2.7926 -2.7926 -2.7848 -2.7848 1.4058 1.4058 1.4405 1.4405 4.4752 4.4752 4.5021 4.5021 5.7545 5.7545 5.8159 5.8159 9.5440 9.5440 9.6157 9.6157 11.4636 11.4636 11.4873 11.4873 k = 0.4067 0.4503 0.3063 ( 3120 PWs) bands (ev): -7.6337 -7.6337 -7.5778 -7.5778 -7.5167 -7.5167 -7.4939 -7.4939 -6.8521 -6.8521 -6.7713 -6.7713 -6.6725 -6.6725 -6.6619 -6.6619 -6.6361 -6.6361 -6.6173 -6.6173 -2.7796 -2.7796 -2.7715 -2.7715 1.4073 1.4073 1.4447 1.4447 4.3930 4.3930 4.4219 4.4219 5.7681 5.7681 5.8288 5.8288 9.5827 9.5827 9.6533 9.6533 11.6028 11.6028 11.6255 11.6255 k = 0.4000 0.4619 0.3063 ( 3116 PWs) bands (ev): -7.6350 -7.6350 -7.5769 -7.5769 -7.5168 -7.5168 -7.4928 -7.4928 -6.8544 -6.8544 -6.7703 -6.7703 -6.6720 -6.6720 -6.6609 -6.6609 -6.6373 -6.6373 -6.6172 -6.6172 -2.7664 -2.7664 -2.7582 -2.7582 1.4081 1.4081 1.4481 1.4481 4.3156 4.3156 4.3464 4.3464 5.7812 5.7812 5.8415 5.8415 9.6157 9.6157 9.6850 9.6850 11.7412 11.7412 11.7633 11.7633 k = 0.3933 0.4734 0.3063 ( 3120 PWs) bands (ev): -7.6361 -7.6361 -7.5760 -7.5760 -7.5169 -7.5169 -7.4918 -7.4918 -6.8565 -6.8565 -6.7695 -6.7695 -6.6716 -6.6716 -6.6597 -6.6597 -6.6386 -6.6386 -6.6172 -6.6172 -2.7533 -2.7533 -2.7450 -2.7450 1.4083 1.4083 1.4507 1.4507 4.2437 4.2437 4.2761 4.2761 5.7938 5.7938 5.8537 5.8537 9.6433 9.6433 9.7113 9.7113 11.8698 11.8698 11.8942 11.8942 k = 0.3867 0.4850 0.3063 ( 3116 PWs) bands (ev): -7.6371 -7.6371 -7.5753 -7.5753 -7.5170 -7.5170 -7.4909 -7.4909 -6.8584 -6.8584 -6.7689 -6.7689 -6.6712 -6.6712 -6.6586 -6.6586 -6.6398 -6.6398 -6.6171 -6.6171 -2.7406 -2.7406 -2.7321 -2.7321 1.4076 1.4076 1.4524 1.4524 4.1779 4.1779 4.2118 4.2118 5.8058 5.8058 5.8653 5.8653 9.6658 9.6658 9.7326 9.7326 11.9748 11.9748 12.0095 12.0095 k = 0.3800 0.4965 0.3063 ( 3116 PWs) bands (ev): -7.6381 -7.6381 -7.5748 -7.5748 -7.5170 -7.5170 -7.4901 -7.4901 -6.8600 -6.8600 -6.7684 -6.7684 -6.6708 -6.6708 -6.6574 -6.6574 -6.6410 -6.6410 -6.6171 -6.6171 -2.7284 -2.7284 -2.7199 -2.7199 1.4062 1.4062 1.4532 1.4532 4.1190 4.1190 4.1541 4.1541 5.8170 5.8170 5.8763 5.8763 9.6837 9.6837 9.7494 9.7494 12.0439 12.0439 12.0975 12.0975 k = 0.3733 0.5081 0.3063 ( 3116 PWs) bands (ev): -7.6388 -7.6388 -7.5743 -7.5743 -7.5171 -7.5171 -7.4894 -7.4894 -6.8614 -6.8614 -6.7680 -6.7680 -6.6704 -6.6704 -6.6563 -6.6563 -6.6422 -6.6422 -6.6170 -6.6170 -2.7169 -2.7169 -2.7085 -2.7085 1.4040 1.4040 1.4530 1.4530 4.0673 4.0673 4.1035 4.1035 5.8272 5.8272 5.8864 5.8864 9.6975 9.6975 9.7622 9.7622 12.0765 12.0765 12.1504 12.1504 k = 0.3667 0.5196 0.3063 ( 3128 PWs) bands (ev): -7.6395 -7.6395 -7.5739 -7.5739 -7.5171 -7.5171 -7.4887 -7.4887 -6.8625 -6.8625 -6.7677 -6.7677 -6.6701 -6.6701 -6.6552 -6.6552 -6.6433 -6.6433 -6.6170 -6.6170 -2.7066 -2.7066 -2.6981 -2.6981 1.4013 1.4013 1.4521 1.4521 4.0233 4.0233 4.0603 4.0603 5.8363 5.8363 5.8954 5.8954 9.7075 9.7075 9.7716 9.7716 12.0840 12.0840 12.1727 12.1727 k = 0.3600 0.5312 0.3063 ( 3124 PWs) bands (ev): -7.6400 -7.6400 -7.5737 -7.5737 -7.5171 -7.5171 -7.4882 -7.4882 -6.8635 -6.8635 -6.7675 -6.7675 -6.6698 -6.6698 -6.6541 -6.6541 -6.6444 -6.6444 -6.6170 -6.6170 -2.6975 -2.6975 -2.6891 -2.6891 1.3983 1.3983 1.4505 1.4505 3.9871 3.9871 4.0249 4.0249 5.8442 5.8442 5.9032 5.9032 9.7144 9.7144 9.7779 9.7779 12.0789 12.0789 12.1765 12.1765 k = 0.3533 0.5427 0.3063 ( 3116 PWs) bands (ev): -7.6405 -7.6405 -7.5735 -7.5735 -7.5171 -7.5171 -7.4878 -7.4878 -6.8642 -6.8642 -6.7674 -6.7674 -6.6696 -6.6696 -6.6531 -6.6531 -6.6453 -6.6453 -6.6169 -6.6169 -2.6900 -2.6900 -2.6816 -2.6816 1.3952 1.3952 1.4486 1.4486 3.9591 3.9591 3.9974 3.9974 5.8506 5.8506 5.9096 5.9096 9.7187 9.7187 9.7818 9.7818 12.0699 12.0699 12.1723 12.1723 k = 0.3467 0.5543 0.3063 ( 3116 PWs) bands (ev): -7.6408 -7.6408 -7.5734 -7.5734 -7.5171 -7.5171 -7.4875 -7.4875 -6.8647 -6.8647 -6.7673 -6.7673 -6.6695 -6.6695 -6.6523 -6.6523 -6.6462 -6.6462 -6.6169 -6.6169 -2.6843 -2.6843 -2.6760 -2.6760 1.3924 1.3924 1.4466 1.4466 3.9392 3.9392 3.9779 3.9779 5.8553 5.8553 5.9144 5.9144 9.7210 9.7210 9.7838 9.7838 12.0613 12.0613 12.1664 12.1664 k = 0.3400 0.5658 0.3063 ( 3116 PWs) bands (ev): -7.6409 -7.6409 -7.5733 -7.5733 -7.5171 -7.5171 -7.4873 -7.4873 -6.8650 -6.8650 -6.7673 -6.7673 -6.6694 -6.6694 -6.6517 -6.6517 -6.6467 -6.6467 -6.6169 -6.6169 -2.6807 -2.6807 -2.6724 -2.6724 1.3904 1.3904 1.4451 1.4451 3.9274 3.9274 3.9662 3.9662 5.8583 5.8583 5.9174 5.9174 9.7219 9.7219 9.7846 9.7846 12.0555 12.0555 12.1619 12.1619 k = 0.3333 0.5774 0.3063 ( 3120 PWs) bands (ev): -7.6410 -7.6410 -7.5733 -7.5733 -7.5171 -7.5171 -7.4873 -7.4873 -6.8651 -6.8651 -6.7673 -6.7673 -6.6693 -6.6693 -6.6515 -6.6515 -6.6469 -6.6469 -6.6169 -6.6169 -2.6794 -2.6794 -2.6712 -2.6712 1.3896 1.3896 1.4445 1.4445 3.9235 3.9235 3.9624 3.9624 5.8593 5.8593 5.9184 5.9184 9.7221 9.7221 9.7847 9.7847 12.0535 12.0535 12.1602 12.1602 k = 0.3333 0.5774 0.3063 ( 3120 PWs) bands (ev): -7.6410 -7.6410 -7.5733 -7.5733 -7.5171 -7.5171 -7.4873 -7.4873 -6.8651 -6.8651 -6.7673 -6.7673 -6.6693 -6.6693 -6.6515 -6.6515 -6.6469 -6.6469 -6.6169 -6.6169 -2.6794 -2.6794 -2.6712 -2.6712 1.3896 1.3896 1.4445 1.4445 3.9235 3.9235 3.9624 3.9624 5.8593 5.8593 5.9184 5.9184 9.7221 9.7221 9.7847 9.7847 12.0535 12.0535 12.1602 12.1602 k = 0.3267 0.5658 0.3063 ( 3118 PWs) bands (ev): -7.6409 -7.6409 -7.5733 -7.5733 -7.5171 -7.5171 -7.4873 -7.4873 -6.8650 -6.8650 -6.7673 -6.7673 -6.6694 -6.6694 -6.6517 -6.6517 -6.6468 -6.6468 -6.6169 -6.6169 -2.6808 -2.6808 -2.6725 -2.6725 1.3906 1.3906 1.4453 1.4453 3.9273 3.9273 3.9662 3.9662 5.8583 5.8583 5.9174 5.9174 9.7221 9.7221 9.7848 9.7848 12.0555 12.0555 12.1619 12.1619 k = 0.3200 0.5543 0.3063 ( 3118 PWs) bands (ev): -7.6408 -7.6408 -7.5733 -7.5733 -7.5171 -7.5171 -7.4875 -7.4875 -6.8647 -6.8647 -6.7673 -6.7673 -6.6694 -6.6694 -6.6521 -6.6521 -6.6463 -6.6463 -6.6169 -6.6169 -2.6849 -2.6849 -2.6765 -2.6765 1.3938 1.3938 1.4481 1.4481 3.9385 3.9385 3.9772 3.9772 5.8550 5.8550 5.9140 5.9140 9.7227 9.7227 9.7854 9.7854 12.0612 12.0612 12.1666 12.1666 k = 0.3133 0.5427 0.3063 ( 3124 PWs) bands (ev): -7.6405 -7.6405 -7.5734 -7.5734 -7.5171 -7.5171 -7.4878 -7.4878 -6.8643 -6.8643 -6.7673 -6.7673 -6.6696 -6.6696 -6.6527 -6.6527 -6.6458 -6.6458 -6.6170 -6.6170 -2.6919 -2.6919 -2.6835 -2.6835 1.3999 1.3999 1.4533 1.4533 3.9568 3.9568 3.9953 3.9953 5.8494 5.8494 5.9084 5.9084 9.7244 9.7244 9.7872 9.7872 12.0699 12.0699 12.1736 12.1736 k = 0.3067 0.5312 0.3063 ( 3128 PWs) bands (ev): -7.6401 -7.6401 -7.5735 -7.5735 -7.5172 -7.5172 -7.4882 -7.4882 -6.8638 -6.8638 -6.7673 -6.7673 -6.6698 -6.6698 -6.6533 -6.6533 -6.6453 -6.6453 -6.6170 -6.6170 -2.7021 -2.7021 -2.6936 -2.6936 1.4092 1.4092 1.4616 1.4616 3.9819 3.9819 4.0200 4.0200 5.8415 5.8415 5.9004 5.9004 9.7276 9.7276 9.7905 9.7905 12.0806 12.0806 12.1817 12.1817 k = 0.3000 0.5196 0.3063 ( 3128 PWs) bands (ev): -7.6396 -7.6396 -7.5735 -7.5735 -7.5172 -7.5172 -7.4886 -7.4886 -6.8631 -6.8631 -6.7673 -6.7673 -6.6700 -6.6700 -6.6539 -6.6539 -6.6448 -6.6448 -6.6171 -6.6171 -2.7154 -2.7154 -2.7068 -2.7068 1.4223 1.4223 1.4734 1.4734 4.0133 4.0133 4.0510 4.0510 5.8312 5.8312 5.8899 5.8899 9.7330 9.7330 9.7960 9.7960 12.0920 12.0920 12.1894 12.1894 k = 0.2933 0.5081 0.3063 ( 3124 PWs) bands (ev): -7.6390 -7.6390 -7.5736 -7.5736 -7.5172 -7.5172 -7.4892 -7.4892 -6.8623 -6.8623 -6.7672 -6.7672 -6.6703 -6.6703 -6.6544 -6.6544 -6.6444 -6.6444 -6.6172 -6.6172 -2.7320 -2.7320 -2.7232 -2.7232 1.4395 1.4395 1.4891 1.4891 4.0506 4.0506 4.0879 4.0879 5.8185 5.8185 5.8770 5.8770 9.7409 9.7409 9.8039 9.8039 12.1025 12.1025 12.1945 12.1945 k = 0.2867 0.4965 0.3063 ( 3120 PWs) bands (ev): -7.6383 -7.6383 -7.5736 -7.5736 -7.5172 -7.5172 -7.4898 -7.4898 -6.8614 -6.8614 -6.7671 -6.7671 -6.6706 -6.6706 -6.6550 -6.6550 -6.6440 -6.6440 -6.6174 -6.6174 -2.7519 -2.7519 -2.7429 -2.7429 1.4612 1.4612 1.5091 1.5091 4.0935 4.0935 4.1303 4.1303 5.8035 5.8035 5.8619 5.8619 9.7516 9.7516 9.8146 9.8146 12.1101 12.1101 12.1950 12.1950 k = 0.2800 0.4850 0.3063 ( 3116 PWs) bands (ev): -7.6375 -7.6375 -7.5737 -7.5737 -7.5173 -7.5173 -7.4905 -7.4905 -6.8605 -6.8605 -6.7670 -6.7670 -6.6710 -6.6710 -6.6555 -6.6555 -6.6438 -6.6438 -6.6176 -6.6176 -2.7750 -2.7750 -2.7658 -2.7658 1.4876 1.4876 1.5338 1.5338 4.1415 4.1415 4.1778 4.1778 5.7862 5.7862 5.8444 5.8444 9.7652 9.7652 9.8283 9.8283 12.1125 12.1125 12.1886 12.1886 k = 0.2733 0.4734 0.3063 ( 3122 PWs) bands (ev): -7.6366 -7.6366 -7.5737 -7.5737 -7.5173 -7.5173 -7.4913 -7.4913 -6.8594 -6.8594 -6.7669 -6.7669 -6.6714 -6.6714 -6.6560 -6.6560 -6.6436 -6.6436 -6.6178 -6.6178 -2.8013 -2.8013 -2.7918 -2.7918 1.5189 1.5189 1.5632 1.5632 4.1944 4.1944 4.2302 4.2302 5.7669 5.7669 5.8249 5.8249 9.7820 9.7820 9.8450 9.8450 12.1073 12.1073 12.1736 12.1736 k = 0.2667 0.4619 0.3063 ( 3130 PWs) bands (ev): -7.6356 -7.6356 -7.5737 -7.5737 -7.5174 -7.5174 -7.4921 -7.4921 -6.8583 -6.8583 -6.7667 -6.7667 -6.6717 -6.6717 -6.6564 -6.6564 -6.6435 -6.6435 -6.6181 -6.6181 -2.8305 -2.8305 -2.8208 -2.8208 1.5553 1.5553 1.5976 1.5976 4.2517 4.2517 4.2869 4.2869 5.7456 5.7456 5.8035 5.8035 9.8019 9.8019 9.8650 9.8650 12.0926 12.0926 12.1498 12.1498 k = 0.2600 0.4503 0.3063 ( 3138 PWs) bands (ev): -7.6345 -7.6345 -7.5736 -7.5736 -7.5175 -7.5175 -7.4930 -7.4930 -6.8572 -6.8572 -6.7665 -6.7665 -6.6721 -6.6721 -6.6569 -6.6569 -6.6435 -6.6435 -6.6184 -6.6184 -2.8627 -2.8627 -2.8528 -2.8528 1.5968 1.5968 1.6371 1.6371 4.3132 4.3132 4.3478 4.3478 5.7226 5.7226 5.7804 5.7804 9.8249 9.8249 9.8881 9.8881 12.0674 12.0674 12.1176 12.1176 k = 0.2533 0.4388 0.3063 ( 3138 PWs) bands (ev): -7.6334 -7.6334 -7.5736 -7.5736 -7.5175 -7.5175 -7.4939 -7.4939 -6.8560 -6.8560 -6.7663 -6.7663 -6.6725 -6.6725 -6.6573 -6.6573 -6.6435 -6.6435 -6.6187 -6.6187 -2.8975 -2.8975 -2.8874 -2.8874 1.6433 1.6433 1.6816 1.6816 4.3784 4.3784 4.4123 4.4123 5.6981 5.6981 5.7559 5.7559 9.8510 9.8510 9.9142 9.9142 12.0321 12.0321 12.0783 12.0783 k = 0.2467 0.4272 0.3063 ( 3126 PWs) bands (ev): -7.6322 -7.6322 -7.5735 -7.5735 -7.5176 -7.5176 -7.4949 -7.4949 -6.8548 -6.8548 -6.7660 -6.7660 -6.6729 -6.6729 -6.6577 -6.6577 -6.6436 -6.6436 -6.6191 -6.6191 -2.9348 -2.9348 -2.9244 -2.9244 1.6948 1.6948 1.7311 1.7311 4.4471 4.4471 4.4803 4.4803 5.6724 5.6724 5.7303 5.7303 9.8798 9.8798 9.9432 9.9432 11.9886 11.9886 12.0331 12.0331 k = 0.2400 0.4157 0.3063 ( 3130 PWs) bands (ev): -7.6309 -7.6309 -7.5733 -7.5733 -7.5177 -7.5177 -7.4959 -7.4959 -6.8535 -6.8535 -6.7658 -6.7658 -6.6733 -6.6733 -6.6582 -6.6582 -6.6438 -6.6438 -6.6195 -6.6195 -2.9742 -2.9742 -2.9638 -2.9638 1.7511 1.7511 1.7855 1.7855 4.5190 4.5190 4.5512 4.5512 5.6458 5.6458 5.7040 5.7040 9.9112 9.9112 9.9748 9.9748 11.9389 11.9389 11.9828 11.9828 k = 0.2333 0.4041 0.3063 ( 3134 PWs) bands (ev): -7.6295 -7.6295 -7.5732 -7.5732 -7.5177 -7.5177 -7.4969 -7.4969 -6.8523 -6.8523 -6.7655 -6.7655 -6.6736 -6.6736 -6.6587 -6.6587 -6.6440 -6.6440 -6.6200 -6.6200 -3.0157 -3.0157 -3.0051 -3.0051 1.8120 1.8120 1.8445 1.8445 4.5937 4.5937 4.6249 4.6249 5.6186 5.6186 5.6773 5.6773 9.9448 9.9448 10.0087 10.0087 11.8853 11.8853 11.9286 11.9286 k = 0.2267 0.3926 0.3063 ( 3130 PWs) bands (ev): -7.6280 -7.6280 -7.5729 -7.5729 -7.5178 -7.5178 -7.4979 -7.4979 -6.8510 -6.8510 -6.7652 -6.7652 -6.6739 -6.6739 -6.6592 -6.6592 -6.6442 -6.6442 -6.6205 -6.6205 -3.0589 -3.0589 -3.0481 -3.0481 1.8774 1.8774 1.9080 1.9080 4.6710 4.6710 4.7009 4.7009 5.5912 5.5912 5.6508 5.6508 9.9803 9.9803 10.0446 10.0446 11.8290 11.8290 11.8715 11.8715 k = 0.2200 0.3811 0.3063 ( 3134 PWs) bands (ev): -7.6265 -7.6265 -7.5727 -7.5727 -7.5179 -7.5179 -7.4989 -7.4989 -6.8497 -6.8497 -6.7649 -6.7649 -6.6743 -6.6743 -6.6598 -6.6598 -6.6444 -6.6444 -6.6211 -6.6211 -3.1035 -3.1035 -3.0926 -3.0926 1.9468 1.9468 1.9757 1.9757 4.7505 4.7505 4.7788 4.7788 5.5639 5.5639 5.6248 5.6248 10.0171 10.0171 10.0820 10.0820 11.7711 11.7711 11.8124 11.8124 k = 0.2133 0.3695 0.3063 ( 3126 PWs) bands (ev): -7.6250 -7.6250 -7.5724 -7.5724 -7.5180 -7.5180 -7.4999 -7.4999 -6.8483 -6.8483 -6.7645 -6.7645 -6.6746 -6.6746 -6.6604 -6.6604 -6.6446 -6.6446 -6.6217 -6.6217 -3.1493 -3.1493 -3.1382 -3.1382 2.0201 2.0201 2.0473 2.0473 4.8319 4.8319 4.8582 4.8582 5.5372 5.5372 5.6001 5.6001 10.0549 10.0549 10.1206 10.1206 11.7121 11.7121 11.7521 11.7521 k = 0.2067 0.3580 0.3063 ( 3118 PWs) bands (ev): -7.6234 -7.6234 -7.5721 -7.5721 -7.5181 -7.5181 -7.5009 -7.5009 -6.8470 -6.8470 -6.7642 -6.7642 -6.6748 -6.6748 -6.6611 -6.6611 -6.6448 -6.6448 -6.6223 -6.6223 -3.1960 -3.1960 -3.1848 -3.1848 2.0968 2.0968 2.1225 2.1225 4.9147 4.9147 4.9386 4.9386 5.5114 5.5114 5.5774 5.5774 10.0931 10.0931 10.1599 10.1599 11.6521 11.6521 11.6915 11.6915 k = 0.2000 0.3464 0.3063 ( 3118 PWs) bands (ev): -7.6217 -7.6217 -7.5717 -7.5717 -7.5183 -7.5183 -7.5020 -7.5020 -6.8456 -6.8456 -6.7639 -6.7639 -6.6751 -6.6751 -6.6619 -6.6619 -6.6449 -6.6449 -6.6230 -6.6230 -3.2434 -3.2434 -3.2321 -3.2321 2.1765 2.1765 2.2007 2.2007 4.9982 4.9982 5.0196 5.0196 5.4871 5.4871 5.5576 5.5576 10.1310 10.1310 10.1993 10.1993 11.5911 11.5911 11.6314 11.6314 k = 0.1933 0.3349 0.3063 ( 3122 PWs) bands (ev): -7.6200 -7.6200 -7.5714 -7.5714 -7.5184 -7.5184 -7.5030 -7.5030 -6.8442 -6.8442 -6.7635 -6.7635 -6.6753 -6.6753 -6.6627 -6.6627 -6.6450 -6.6450 -6.6238 -6.6238 -3.2913 -3.2913 -3.2799 -3.2799 2.2588 2.2588 2.2817 2.2817 5.0807 5.0807 5.1009 5.1009 5.4649 5.4649 5.5424 5.5424 10.1682 10.1682 10.2384 10.2384 11.5290 11.5290 11.5725 11.5725 k = 0.1867 0.3233 0.3063 ( 3126 PWs) bands (ev): -7.6182 -7.6182 -7.5709 -7.5709 -7.5186 -7.5186 -7.5040 -7.5040 -6.8428 -6.8428 -6.7632 -6.7632 -6.6755 -6.6755 -6.6635 -6.6635 -6.6451 -6.6451 -6.6245 -6.6245 -3.3393 -3.3393 -3.3278 -3.3278 2.3433 2.3433 2.3649 2.3649 5.1587 5.1587 5.1833 5.1833 5.4455 5.4455 5.5342 5.5342 10.2039 10.2039 10.2766 10.2766 11.4657 11.4657 11.5153 11.5153 k = 0.1800 0.3118 0.3063 ( 3122 PWs) bands (ev): -7.6164 -7.6164 -7.5705 -7.5705 -7.5189 -7.5189 -7.5050 -7.5050 -6.8413 -6.8413 -6.7629 -6.7629 -6.6757 -6.6757 -6.6644 -6.6644 -6.6451 -6.6451 -6.6254 -6.6254 -3.3874 -3.3874 -3.3757 -3.3757 2.4294 2.4294 2.4498 2.4498 5.2273 5.2273 5.2669 5.2669 5.4303 5.4303 5.5370 5.5370 10.2375 10.2375 10.3134 10.3134 11.4015 11.4015 11.4601 11.4601 k = 0.1733 0.3002 0.3063 ( 3118 PWs) bands (ev): -7.6146 -7.6146 -7.5700 -7.5700 -7.5191 -7.5191 -7.5060 -7.5060 -6.8398 -6.8398 -6.7626 -6.7626 -6.6759 -6.6759 -6.6654 -6.6654 -6.6451 -6.6451 -6.6262 -6.6262 -3.4351 -3.4351 -3.4233 -3.4233 2.5166 2.5166 2.5359 2.5359 5.2813 5.2813 5.3464 5.3464 5.4244 5.4244 5.5564 5.5564 10.2681 10.2681 10.3481 10.3481 11.3371 11.3371 11.4071 11.4071 k = 0.1667 0.2887 0.3063 ( 3110 PWs) bands (ev): -7.6127 -7.6127 -7.5695 -7.5695 -7.5195 -7.5195 -7.5071 -7.5071 -6.8383 -6.8383 -6.7623 -6.7623 -6.6761 -6.6761 -6.6663 -6.6663 -6.6450 -6.6450 -6.6271 -6.6271 -3.4825 -3.4825 -3.4706 -3.4706 2.6043 2.6043 2.6224 2.6224 5.3176 5.3176 5.3873 5.3873 5.4621 5.4621 5.5964 5.5964 10.2948 10.2948 10.3802 10.3802 11.2731 11.2731 11.3567 11.3567 k = 0.1600 0.2771 0.3063 ( 3118 PWs) bands (ev): -7.6108 -7.6108 -7.5690 -7.5690 -7.5198 -7.5198 -7.5081 -7.5081 -6.8368 -6.8368 -6.7620 -6.7620 -6.6763 -6.6763 -6.6673 -6.6673 -6.6448 -6.6448 -6.6280 -6.6280 -3.5293 -3.5293 -3.5172 -3.5172 2.6917 2.6917 2.7088 2.7088 5.3393 5.3393 5.3912 5.3912 5.5420 5.5420 5.6543 5.6543 10.3166 10.3166 10.4085 10.4085 11.2107 11.2107 11.3095 11.3095 k = 0.1533 0.2656 0.3063 ( 3114 PWs) bands (ev): -7.6089 -7.6089 -7.5684 -7.5684 -7.5203 -7.5203 -7.5091 -7.5091 -6.8351 -6.8351 -6.7617 -6.7617 -6.6765 -6.6765 -6.6683 -6.6683 -6.6446 -6.6446 -6.6289 -6.6289 -3.5752 -3.5752 -3.5630 -3.5630 2.7783 2.7783 2.7943 2.7943 5.3535 5.3535 5.3945 5.3945 5.6276 5.6276 5.7236 5.7236 10.3324 10.3324 10.4319 10.4319 11.1513 11.1513 11.2663 11.2663 k = 0.1467 0.2540 0.3063 ( 3110 PWs) bands (ev): -7.6069 -7.6069 -7.5678 -7.5678 -7.5208 -7.5208 -7.5101 -7.5101 -6.8335 -6.8335 -6.7615 -6.7615 -6.6768 -6.6768 -6.6693 -6.6693 -6.6444 -6.6444 -6.6299 -6.6299 -3.6202 -3.6202 -3.6080 -3.6080 2.8633 2.8633 2.8781 2.8781 5.3663 5.3663 5.4025 5.4025 5.7137 5.7137 5.7989 5.7989 10.3410 10.3410 10.4483 10.4483 11.0971 11.0971 11.2281 11.2281 k = 0.1400 0.2425 0.3063 ( 3114 PWs) bands (ev): -7.6049 -7.6049 -7.5672 -7.5672 -7.5213 -7.5213 -7.5111 -7.5111 -6.8318 -6.8318 -6.7613 -6.7613 -6.6771 -6.6771 -6.6703 -6.6703 -6.6441 -6.6441 -6.6308 -6.6308 -3.6641 -3.6641 -3.6518 -3.6518 2.9459 2.9459 2.9596 2.9596 5.3818 5.3818 5.4164 5.4164 5.7991 5.7991 5.8767 5.8767 10.3410 10.3410 10.4550 10.4550 11.0509 11.0509 11.1964 11.1964 k = 0.1333 0.2309 0.3063 ( 3102 PWs) bands (ev): -7.6029 -7.6029 -7.5666 -7.5666 -7.5219 -7.5219 -7.5122 -7.5122 -6.8300 -6.8300 -6.7611 -6.7611 -6.6774 -6.6774 -6.6712 -6.6712 -6.6438 -6.6438 -6.6317 -6.6317 -3.7067 -3.7067 -3.6944 -3.6944 3.0253 3.0253 3.0378 3.0378 5.4023 5.4023 5.4370 5.4370 5.8832 5.8832 5.9552 5.9552 10.3310 10.3310 10.4489 10.4489 11.0162 11.0162 11.1724 11.1724 k = 0.1267 0.2194 0.3063 ( 3098 PWs) bands (ev): -7.6008 -7.6008 -7.5659 -7.5659 -7.5226 -7.5226 -7.5133 -7.5133 -6.8281 -6.8281 -6.7610 -6.7610 -6.6779 -6.6779 -6.6720 -6.6720 -6.6434 -6.6434 -6.6326 -6.6326 -3.7480 -3.7480 -3.7356 -3.7356 3.1008 3.1008 3.1121 3.1121 5.4294 5.4294 5.4648 5.4648 5.9657 5.9657 6.0331 6.0331 10.3101 10.3101 10.4271 10.4271 10.9960 10.9960 11.1574 11.1574 k = 0.1200 0.2078 0.3063 ( 3098 PWs) bands (ev): -7.5987 -7.5987 -7.5653 -7.5653 -7.5233 -7.5233 -7.5144 -7.5144 -6.8262 -6.8262 -6.7609 -6.7609 -6.6784 -6.6784 -6.6728 -6.6728 -6.6431 -6.6431 -6.6334 -6.6334 -3.7878 -3.7878 -3.7754 -3.7754 3.1716 3.1716 3.1817 3.1817 5.4641 5.4641 5.5005 5.5005 6.0461 6.0461 6.1096 6.1096 10.2777 10.2777 10.3885 10.3885 10.9917 10.9917 11.1519 11.1519 k = 0.1133 0.1963 0.3063 ( 3098 PWs) bands (ev): -7.5966 -7.5966 -7.5646 -7.5646 -7.5241 -7.5241 -7.5156 -7.5156 -6.8241 -6.8241 -6.7609 -6.7609 -6.6789 -6.6789 -6.6735 -6.6735 -6.6427 -6.6427 -6.6342 -6.6342 -3.8259 -3.8259 -3.8137 -3.8137 3.2373 3.2373 3.2461 3.2461 5.5069 5.5069 5.5445 5.5445 6.1241 6.1241 6.1842 6.1842 10.2338 10.2338 10.3342 10.3342 11.0021 11.0021 11.1563 11.1563 k = 0.1067 0.1848 0.3063 ( 3100 PWs) bands (ev): -7.5945 -7.5945 -7.5639 -7.5639 -7.5249 -7.5249 -7.5169 -7.5169 -6.8220 -6.8220 -6.7610 -6.7610 -6.6796 -6.6796 -6.6742 -6.6742 -6.6423 -6.6423 -6.6350 -6.6350 -3.8623 -3.8623 -3.8502 -3.8502 3.2973 3.2973 3.3049 3.3049 5.5583 5.5583 5.5969 5.5969 6.1994 6.1994 6.2563 6.2563 10.1788 10.1788 10.2667 10.2667 11.0251 11.0251 11.1701 11.1701 k = 0.1000 0.1732 0.3063 ( 3096 PWs) bands (ev): -7.5923 -7.5923 -7.5632 -7.5632 -7.5258 -7.5258 -7.5182 -7.5182 -6.8198 -6.8198 -6.7612 -6.7612 -6.6802 -6.6802 -6.6749 -6.6749 -6.6419 -6.6419 -6.6357 -6.6357 -3.8970 -3.8970 -3.8851 -3.8851 3.3513 3.3513 3.3578 3.3578 5.6183 5.6183 5.6579 5.6579 6.2718 6.2718 6.3254 6.3254 10.1137 10.1137 10.1886 10.1886 11.0582 11.0582 11.1927 11.1927 k = 0.0933 0.1617 0.3063 ( 3092 PWs) bands (ev): -7.5901 -7.5901 -7.5624 -7.5624 -7.5266 -7.5266 -7.5196 -7.5196 -6.8175 -6.8175 -6.7614 -6.7614 -6.6809 -6.6809 -6.6756 -6.6756 -6.6415 -6.6415 -6.6363 -6.6363 -3.9297 -3.9297 -3.9181 -3.9181 3.3993 3.3993 3.4047 3.4047 5.6866 5.6866 5.7271 5.7271 6.3409 6.3409 6.3914 6.3914 10.0393 10.0393 10.1018 10.1018 11.0994 11.0994 11.2233 11.2233 k = 0.0867 0.1501 0.3063 ( 3096 PWs) bands (ev): -7.5879 -7.5879 -7.5617 -7.5617 -7.5276 -7.5276 -7.5210 -7.5210 -6.8151 -6.8151 -6.7618 -6.7618 -6.6816 -6.6816 -6.6762 -6.6762 -6.6411 -6.6411 -6.6368 -6.6368 -3.9604 -3.9604 -3.9492 -3.9492 3.4413 3.4413 3.4457 3.4457 5.7629 5.7629 5.8040 5.8040 6.4065 6.4065 6.4539 6.4539 9.9568 9.9568 10.0080 10.0080 11.1473 11.1473 11.2610 11.2610 k = 0.0800 0.1386 0.3063 ( 3094 PWs) bands (ev): -7.5857 -7.5857 -7.5610 -7.5610 -7.5285 -7.5285 -7.5225 -7.5225 -6.8127 -6.8127 -6.7623 -6.7623 -6.6822 -6.6822 -6.6769 -6.6769 -6.6408 -6.6408 -6.6373 -6.6373 -3.9891 -3.9891 -3.9783 -3.9783 3.4776 3.4776 3.4812 3.4812 5.8462 5.8462 5.8876 5.8876 6.4686 6.4686 6.5127 6.5127 9.8671 9.8671 9.9083 9.9083 11.2008 11.2008 11.3048 11.3048 k = 0.0733 0.1270 0.3063 ( 3082 PWs) bands (ev): -7.5834 -7.5834 -7.5603 -7.5603 -7.5294 -7.5294 -7.5241 -7.5241 -6.8101 -6.8101 -6.7629 -6.7629 -6.6828 -6.6828 -6.6775 -6.6775 -6.6404 -6.6404 -6.6377 -6.6377 -4.0156 -4.0156 -4.0054 -4.0054 3.5086 3.5086 3.5114 3.5114 5.9355 5.9355 5.9770 5.9770 6.5269 6.5269 6.5678 6.5678 9.7713 9.7713 9.8041 9.8041 11.2589 11.2589 11.3540 11.3540 k = 0.0667 0.1155 0.3063 ( 3082 PWs) bands (ev): -7.5811 -7.5811 -7.5596 -7.5596 -7.5304 -7.5304 -7.5257 -7.5257 -6.8075 -6.8075 -6.7637 -6.7637 -6.6834 -6.6834 -6.6782 -6.6782 -6.6401 -6.6401 -6.6380 -6.6380 -4.0400 -4.0400 -4.0303 -4.0303 3.5347 3.5347 3.5369 3.5369 6.0296 6.0296 6.0707 6.0707 6.5816 6.5816 6.6190 6.6190 9.6705 9.6705 9.6963 9.6963 11.3207 11.3207 11.4076 11.4076 k = 0.0600 0.1039 0.3063 ( 3090 PWs) bands (ev): -7.5789 -7.5789 -7.5589 -7.5589 -7.5313 -7.5313 -7.5274 -7.5274 -6.8049 -6.8049 -6.7646 -6.7646 -6.6839 -6.6839 -6.6789 -6.6789 -6.6398 -6.6398 -6.6382 -6.6382 -4.0621 -4.0621 -4.0532 -4.0532 3.5564 3.5564 3.5581 3.5581 6.1266 6.1266 6.1670 6.1670 6.6328 6.6328 6.6664 6.6664 9.5663 9.5663 9.5863 9.5863 11.3854 11.3854 11.4644 11.4644 k = 0.0533 0.0924 0.3063 ( 3094 PWs) bands (ev): -7.5766 -7.5766 -7.5583 -7.5583 -7.5322 -7.5322 -7.5290 -7.5290 -6.8021 -6.8021 -6.7657 -6.7657 -6.6843 -6.6843 -6.6796 -6.6796 -6.6395 -6.6395 -6.6384 -6.6384 -4.0820 -4.0820 -4.0738 -4.0738 3.5742 3.5742 3.5755 3.5755 6.2247 6.2247 6.2637 6.2637 6.6806 6.6806 6.7103 6.7103 9.4600 9.4600 9.4758 9.4758 11.4517 11.4517 11.5231 11.5231 k = 0.0467 0.0808 0.3063 ( 3090 PWs) bands (ev): -7.5743 -7.5743 -7.5578 -7.5578 -7.5331 -7.5331 -7.5306 -7.5306 -6.7994 -6.7994 -6.7670 -6.7670 -6.6846 -6.6846 -6.6803 -6.6803 -6.6392 -6.6392 -6.6385 -6.6385 -4.0995 -4.0995 -4.0922 -4.0922 3.5887 3.5887 3.5897 3.5897 6.3213 6.3213 6.3582 6.3582 6.7257 6.7257 6.7511 6.7511 9.3537 9.3537 9.3666 9.3666 11.5181 11.5181 11.5818 11.5818 k = 0.0400 0.0693 0.3063 ( 3094 PWs) bands (ev): -7.5721 -7.5721 -7.5575 -7.5575 -7.5340 -7.5340 -7.5322 -7.5322 -6.7966 -6.7966 -6.7684 -6.7684 -6.6849 -6.6849 -6.6810 -6.6810 -6.6390 -6.6390 -6.6386 -6.6386 -4.1147 -4.1147 -4.1083 -4.1083 3.6004 3.6004 3.6011 3.6011 6.4135 6.4135 6.4472 6.4472 6.7688 6.7688 6.7894 6.7894 9.2499 9.2499 9.2610 9.2610 11.5824 11.5824 11.6379 11.6379 k = 0.0333 0.0577 0.3063 ( 3090 PWs) bands (ev): -7.5699 -7.5699 -7.5573 -7.5573 -7.5348 -7.5348 -7.5336 -7.5336 -6.7938 -6.7938 -6.7700 -6.7700 -6.6850 -6.6850 -6.6817 -6.6817 -6.6389 -6.6389 -6.6386 -6.6386 -4.1275 -4.1275 -4.1220 -4.1220 3.6095 3.6095 3.6100 3.6100 6.4975 6.4975 6.5268 6.5268 6.8107 6.8107 6.8261 6.8261 9.1516 9.1516 9.1616 9.1616 11.6416 11.6416 11.6879 11.6879 k = 0.0267 0.0462 0.3063 ( 3088 PWs) bands (ev): -7.5677 -7.5677 -7.5573 -7.5573 -7.5355 -7.5355 -7.5348 -7.5348 -6.7911 -6.7911 -6.7718 -6.7718 -6.6851 -6.6851 -6.6823 -6.6823 -6.6387 -6.6387 -6.6386 -6.6386 -4.1379 -4.1379 -4.1334 -4.1334 3.6165 3.6165 3.6169 3.6169 6.5695 6.5695 6.5932 6.5932 6.8519 6.8519 6.8619 6.8619 9.0625 9.0625 9.0716 9.0716 11.6919 11.6919 11.7275 11.7275 k = 0.0200 0.0346 0.3063 ( 3088 PWs) bands (ev): -7.5657 -7.5657 -7.5576 -7.5576 -7.5362 -7.5362 -7.5359 -7.5359 -6.7883 -6.7883 -6.7738 -6.7738 -6.6850 -6.6850 -6.6829 -6.6829 -6.6386 -6.6386 -6.6386 -6.6386 -4.1459 -4.1459 -4.1425 -4.1425 3.6216 3.6216 3.6219 3.6219 6.6262 6.6262 6.6436 6.6436 6.8912 6.8912 6.8962 6.8962 8.9869 8.9869 8.9946 8.9946 11.7293 11.7293 11.7534 11.7534 k = 0.0133 0.0231 0.3063 ( 3088 PWs) bands (ev): -7.5637 -7.5637 -7.5582 -7.5582 -7.5367 -7.5367 -7.5366 -7.5366 -6.7857 -6.7857 -6.7759 -6.7759 -6.6849 -6.6849 -6.6834 -6.6834 -6.6386 -6.6386 -6.6386 -6.6386 -4.1514 -4.1514 -4.1491 -4.1491 3.6252 3.6252 3.6254 3.6254 6.6663 6.6663 6.6773 6.6773 6.9247 6.9247 6.9264 6.9264 8.9291 8.9291 8.9348 8.9348 11.7523 11.7523 11.7665 11.7665 k = 0.0067 0.0115 0.3063 ( 3086 PWs) bands (ev): -7.5620 -7.5620 -7.5592 -7.5592 -7.5370 -7.5370 -7.5370 -7.5370 -6.7831 -6.7831 -6.7782 -6.7782 -6.6846 -6.6846 -6.6839 -6.6839 -6.6385 -6.6385 -6.6385 -6.6385 -4.1545 -4.1545 -4.1533 -4.1533 3.6273 3.6273 3.6273 3.6273 6.6904 6.6904 6.6957 6.6957 6.9475 6.9475 6.9477 6.9477 8.8931 8.8931 8.8961 8.8961 11.7641 11.7641 11.7706 11.7706 k = 0.0000 0.0000 0.3063 ( 3074 PWs) bands (ev): -7.5604 -7.5604 -7.5604 -7.5604 -7.5372 -7.5372 -7.5372 -7.5372 -6.7806 -6.7806 -6.7806 -6.7806 -6.6843 -6.6843 -6.6843 -6.6843 -6.6385 -6.6385 -6.6385 -6.6385 -4.1551 -4.1551 -4.1551 -4.1551 3.6280 3.6280 3.6280 3.6280 6.6999 6.6999 6.6999 6.6999 6.9555 6.9555 6.9555 6.9555 8.8818 8.8818 8.8818 8.8818 11.7695 11.7695 11.7695 11.7695 k = 0.5000 0.2887 0.3063 ( 3120 PWs) bands (ev): -7.6051 -7.6051 -7.6051 -7.6051 -7.5092 -7.5092 -7.5092 -7.5092 -6.8054 -6.8054 -6.8054 -6.8054 -6.6732 -6.6732 -6.6732 -6.6732 -6.6219 -6.6219 -6.6219 -6.6219 -2.8890 -2.8890 -2.8890 -2.8890 1.3839 1.3839 1.3839 1.3839 5.4346 5.4346 5.4346 5.4346 5.5656 5.5656 5.5656 5.5656 8.9446 8.9446 8.9446 8.9446 10.5948 10.5948 10.5948 10.5948 k = 0.5000 0.2887 0.2929 ( 3124 PWs) bands (ev): -7.6075 -7.6075 -7.6028 -7.6028 -7.5104 -7.5104 -7.5081 -7.5081 -6.8095 -6.8095 -6.8013 -6.8013 -6.6743 -6.6743 -6.6720 -6.6720 -6.6230 -6.6230 -6.6209 -6.6209 -2.9122 -2.9122 -2.8656 -2.8656 1.3560 1.3560 1.4147 1.4147 5.3603 5.3603 5.4831 5.4831 5.5185 5.5185 5.6318 5.6318 8.8853 8.8853 9.0039 9.0039 10.5837 10.5837 10.6216 10.6216 k = 0.5000 0.2887 0.2796 ( 3120 PWs) bands (ev): -7.6099 -7.6099 -7.6004 -7.6004 -7.5115 -7.5115 -7.5069 -7.5069 -6.8136 -6.8136 -6.7972 -6.7972 -6.6755 -6.6755 -6.6708 -6.6708 -6.6240 -6.6240 -6.6199 -6.6199 -2.9351 -2.9351 -2.8423 -2.8423 1.3310 1.3310 1.4481 1.4481 5.2742 5.2742 5.4401 5.4401 5.5614 5.5614 5.6986 5.6986 8.8301 8.8301 9.0593 9.0593 10.5908 10.5908 10.6614 10.6614 k = 0.5000 0.2887 0.2663 ( 3128 PWs) bands (ev): -7.6122 -7.6122 -7.5980 -7.5980 -7.5127 -7.5127 -7.5058 -7.5058 -6.8176 -6.8176 -6.7931 -6.7931 -6.6767 -6.6767 -6.6696 -6.6696 -6.6252 -6.6252 -6.6190 -6.6190 -2.9577 -2.9577 -2.8190 -2.8190 1.3090 1.3090 1.4840 1.4840 5.1794 5.1794 5.3896 5.3896 5.6117 5.6117 5.7607 5.7607 8.7824 8.7824 9.1074 9.1074 10.6183 10.6183 10.7119 10.7119 k = 0.5000 0.2887 0.2530 ( 3126 PWs) bands (ev): -7.6145 -7.6145 -7.5956 -7.5956 -7.5139 -7.5139 -7.5047 -7.5047 -6.8215 -6.8215 -6.7891 -6.7891 -6.6779 -6.6779 -6.6684 -6.6684 -6.6263 -6.6263 -6.6181 -6.6181 -2.9798 -2.9798 -2.7960 -2.7960 1.2901 1.2901 1.5222 1.5222 5.0789 5.0789 5.3423 5.3423 5.6585 5.6585 5.8155 5.8155 8.7454 8.7454 9.1456 9.1456 10.6679 10.6679 10.7711 10.7711 k = 0.5000 0.2887 0.2397 ( 3132 PWs) bands (ev): -7.6167 -7.6167 -7.5933 -7.5933 -7.5150 -7.5150 -7.5036 -7.5036 -6.8253 -6.8253 -6.7851 -6.7851 -6.6791 -6.6791 -6.6672 -6.6672 -6.6275 -6.6275 -6.6173 -6.6173 -3.0014 -3.0014 -2.7733 -2.7733 1.2743 1.2743 1.5625 1.5625 4.9750 4.9750 5.2978 5.2978 5.7005 5.7005 5.8620 5.8620 8.7216 8.7216 9.1726 9.1726 10.7394 10.7394 10.8370 10.8370 k = 0.5000 0.2887 0.2264 ( 3136 PWs) bands (ev): -7.6189 -7.6189 -7.5910 -7.5910 -7.5162 -7.5162 -7.5026 -7.5026 -6.8291 -6.8291 -6.7811 -6.7811 -6.6803 -6.6803 -6.6660 -6.6660 -6.6286 -6.6286 -6.6166 -6.6166 -3.0223 -3.0223 -2.7510 -2.7510 1.2616 1.2616 1.6047 1.6047 4.8693 4.8693 5.2557 5.2557 5.7357 5.7357 5.9010 5.9010 8.7127 8.7127 9.1887 9.1887 10.8317 10.8317 10.9082 10.9082 k = 0.5000 0.2887 0.2130 ( 3134 PWs) bands (ev): -7.6210 -7.6210 -7.5887 -7.5887 -7.5174 -7.5174 -7.5016 -7.5016 -6.8327 -6.8327 -6.7773 -6.7773 -6.6814 -6.6814 -6.6648 -6.6648 -6.6298 -6.6298 -6.6159 -6.6159 -3.0424 -3.0424 -2.7294 -2.7294 1.2519 1.2519 1.6484 1.6484 4.7632 4.7632 5.2158 5.2158 5.7608 5.7608 5.9355 5.9355 8.7197 8.7197 9.1951 9.1951 10.9414 10.9414 10.9843 10.9843 k = 0.5000 0.2887 0.1997 ( 3130 PWs) bands (ev): -7.6230 -7.6230 -7.5865 -7.5865 -7.5185 -7.5185 -7.5006 -7.5006 -6.8362 -6.8362 -6.7735 -6.7735 -6.6826 -6.6826 -6.6636 -6.6636 -6.6309 -6.6309 -6.6153 -6.6153 -3.0617 -3.0617 -2.7084 -2.7084 1.2453 1.2453 1.6934 1.6934 4.6577 4.6577 5.1781 5.1781 5.7723 5.7723 5.9692 5.9692 8.7424 8.7424 9.1935 9.1935 11.0478 11.0478 11.0812 11.0812 k = 0.5000 0.2887 0.1864 ( 3124 PWs) bands (ev): -7.6250 -7.6250 -7.5843 -7.5843 -7.5196 -7.5196 -7.4996 -7.4996 -6.8396 -6.8396 -6.7698 -6.7698 -6.6838 -6.6838 -6.6624 -6.6624 -6.6321 -6.6321 -6.6148 -6.6148 -3.0801 -3.0801 -2.6883 -2.6883 1.2415 1.2415 1.7393 1.7393 4.5539 4.5539 5.1426 5.1426 5.7685 5.7685 6.0046 6.0046 8.7803 8.7803 9.1861 9.1861 11.1265 11.1265 11.2186 11.2186 k = 0.5000 0.2887 0.1731 ( 3128 PWs) bands (ev): -7.6268 -7.6268 -7.5822 -7.5822 -7.5207 -7.5207 -7.4988 -7.4988 -6.8428 -6.8428 -6.7663 -6.7663 -6.6849 -6.6849 -6.6612 -6.6612 -6.6332 -6.6332 -6.6143 -6.6143 -3.0975 -3.0975 -2.6691 -2.6691 1.2404 1.2404 1.7858 1.7858 4.4525 4.4525 5.1093 5.1093 5.7504 5.7504 6.0421 6.0421 8.8318 8.8318 9.1747 9.1747 11.1980 11.1980 11.3710 11.3710 k = 0.5000 0.2887 0.1598 ( 3128 PWs) bands (ev): -7.6286 -7.6286 -7.5802 -7.5802 -7.5218 -7.5218 -7.4979 -7.4979 -6.8458 -6.8458 -6.7629 -6.7629 -6.6861 -6.6861 -6.6601 -6.6601 -6.6343 -6.6343 -6.6139 -6.6139 -3.1139 -3.1139 -2.6509 -2.6509 1.2418 1.2418 1.8323 1.8323 4.3543 4.3543 5.0781 5.0781 5.7208 5.7208 6.0807 6.0807 8.8949 8.8949 9.1610 9.1610 11.2624 11.2624 11.5330 11.5330 k = 0.5000 0.2887 0.1465 ( 3128 PWs) bands (ev): -7.6302 -7.6302 -7.5783 -7.5783 -7.5229 -7.5229 -7.4971 -7.4971 -6.8486 -6.8486 -6.7597 -6.7597 -6.6872 -6.6872 -6.6589 -6.6589 -6.6354 -6.6354 -6.6136 -6.6136 -3.1292 -3.1292 -2.6338 -2.6338 1.2454 1.2454 1.8785 1.8785 4.2601 4.2601 5.0492 5.0492 5.6824 5.6824 6.1193 6.1193 8.9668 8.9668 9.1471 9.1471 11.3168 11.3168 11.7020 11.7020 k = 0.5000 0.2887 0.1332 ( 3126 PWs) bands (ev): -7.6318 -7.6318 -7.5764 -7.5764 -7.5239 -7.5239 -7.4964 -7.4964 -6.8513 -6.8513 -6.7567 -6.7567 -6.6882 -6.6882 -6.6577 -6.6577 -6.6365 -6.6365 -6.6134 -6.6134 -3.1433 -3.1433 -2.6180 -2.6180 1.2510 1.2510 1.9237 1.9237 4.1707 4.1707 5.0226 5.0226 5.6382 5.6382 6.1569 6.1569 9.0407 9.0407 9.1386 9.1386 11.3578 11.3578 11.8760 11.8760 k = 0.5000 0.2887 0.1198 ( 3118 PWs) bands (ev): -7.6332 -7.6332 -7.5747 -7.5747 -7.5249 -7.5249 -7.4957 -7.4957 -6.8537 -6.8537 -6.7538 -6.7538 -6.6893 -6.6893 -6.6565 -6.6565 -6.6375 -6.6375 -6.6132 -6.6132 -3.1562 -3.1562 -2.6034 -2.6034 1.2582 1.2582 1.9675 1.9675 4.0867 4.0867 4.9983 4.9983 5.5907 5.5907 6.1929 6.1929 9.0840 9.0840 9.1668 9.1668 11.3822 11.3822 12.0529 12.0529 k = 0.5000 0.2887 0.1065 ( 3122 PWs) bands (ev): -7.6345 -7.6345 -7.5731 -7.5731 -7.5258 -7.5258 -7.4951 -7.4951 -6.8559 -6.8559 -6.7512 -6.7512 -6.6903 -6.6903 -6.6554 -6.6554 -6.6385 -6.6385 -6.6130 -6.6130 -3.1679 -3.1679 -2.5902 -2.5902 1.2665 1.2665 2.0093 2.0093 4.0089 4.0089 4.9764 4.9764 5.5421 5.5421 6.2266 6.2266 9.0809 9.0809 9.2457 9.2457 11.3883 11.3883 12.2299 12.2299 k = 0.5000 0.2887 0.0932 ( 3122 PWs) bands (ev): -7.6356 -7.6356 -7.5716 -7.5716 -7.5267 -7.5267 -7.4945 -7.4945 -6.8578 -6.8578 -6.7488 -6.7488 -6.6913 -6.6913 -6.6543 -6.6543 -6.6395 -6.6395 -6.6129 -6.6129 -3.1782 -3.1782 -2.5784 -2.5784 1.2755 1.2755 2.0483 2.0483 3.9380 3.9380 4.9569 4.9569 5.4944 5.4944 6.2575 6.2575 9.0692 9.0692 9.3358 9.3358 11.3761 11.3761 12.3580 12.3580 k = 0.5000 0.2887 0.0799 ( 3108 PWs) bands (ev): -7.6366 -7.6366 -7.5703 -7.5703 -7.5275 -7.5275 -7.4940 -7.4940 -6.8596 -6.8596 -6.7467 -6.7467 -6.6921 -6.6921 -6.6532 -6.6532 -6.6405 -6.6405 -6.6128 -6.6128 -3.1873 -3.1873 -2.5680 -2.5680 1.2847 1.2847 2.0840 2.0840 3.8747 3.8747 4.9399 4.9399 5.4494 5.4494 6.2852 6.2852 9.0570 9.0570 9.4268 9.4268 11.3480 11.3480 12.3087 12.3087 k = 0.5000 0.2887 0.0666 ( 3106 PWs) bands (ev): -7.6375 -7.6375 -7.5691 -7.5691 -7.5282 -7.5282 -7.4936 -7.4936 -6.8610 -6.8610 -6.7448 -6.7448 -6.6929 -6.6929 -6.6521 -6.6521 -6.6414 -6.6414 -6.6128 -6.6128 -3.1950 -3.1950 -2.5592 -2.5592 1.2937 1.2937 2.1156 2.1156 3.8197 3.8197 4.9253 4.9253 5.4086 5.4086 6.3093 6.3093 9.0459 9.0459 9.5146 9.5146 11.3083 11.3083 12.2590 12.2590 k = 0.5000 0.2887 0.0533 ( 3116 PWs) bands (ev): -7.6382 -7.6382 -7.5681 -7.5681 -7.5288 -7.5288 -7.4933 -7.4933 -6.8622 -6.8622 -6.7432 -6.7432 -6.6936 -6.6936 -6.6511 -6.6511 -6.6423 -6.6423 -6.6127 -6.6127 -3.2013 -3.2013 -2.5519 -2.5519 1.3019 1.3019 2.1426 2.1426 3.7737 3.7737 4.9133 4.9133 5.3734 5.3734 6.3294 6.3294 9.0364 9.0364 9.5956 9.5956 11.2627 11.2627 12.2176 12.2176 k = 0.5000 0.2887 0.0399 ( 3122 PWs) bands (ev): -7.6387 -7.6387 -7.5673 -7.5673 -7.5293 -7.5293 -7.4930 -7.4930 -6.8632 -6.8632 -6.7420 -6.7420 -6.6941 -6.6941 -6.6501 -6.6501 -6.6431 -6.6431 -6.6127 -6.6127 -3.2063 -3.2063 -2.5463 -2.5463 1.3088 1.3088 2.1643 2.1643 3.7372 3.7372 4.9040 4.9040 5.3448 5.3448 6.3454 6.3454 9.0289 9.0289 9.6658 9.6658 11.2172 11.2172 12.1850 12.1850 k = 0.5000 0.2887 0.0266 ( 3118 PWs) bands (ev): -7.6391 -7.6391 -7.5668 -7.5668 -7.5296 -7.5296 -7.4928 -7.4928 -6.8639 -6.8639 -6.7411 -6.7411 -6.6946 -6.6946 -6.6493 -6.6493 -6.6439 -6.6439 -6.6127 -6.6127 -3.2098 -3.2098 -2.5422 -2.5422 1.3141 1.3141 2.1802 2.1802 3.7107 3.7107 4.8972 4.8972 5.3237 5.3237 6.3570 6.3570 9.0234 9.0234 9.7208 9.7208 11.1785 11.1785 12.1617 12.1617 k = 0.5000 0.2887 0.0133 ( 3118 PWs) bands (ev): -7.6394 -7.6394 -7.5664 -7.5664 -7.5299 -7.5299 -7.4927 -7.4927 -6.8643 -6.8643 -6.7405 -6.7405 -6.6948 -6.6948 -6.6486 -6.6486 -6.6445 -6.6445 -6.6127 -6.6127 -3.2119 -3.2119 -2.5397 -2.5397 1.3174 1.3174 2.1899 2.1899 3.6947 3.6947 4.8931 4.8931 5.3108 5.3108 6.3640 6.3640 9.0200 9.0200 9.7562 9.7562 11.1524 11.1524 12.1476 12.1476 k = 0.5000 0.2887-0.0000 ( 3118 PWs) bands (ev): -7.6394 -7.6394 -7.5663 -7.5663 -7.5299 -7.5299 -7.4927 -7.4927 -6.8644 -6.8644 -6.7404 -6.7404 -6.6949 -6.6949 -6.6484 -6.6484 -6.6448 -6.6448 -6.6127 -6.6127 -3.2126 -3.2126 -2.5389 -2.5389 1.3185 1.3185 2.1931 2.1931 3.6893 3.6893 4.8918 4.8918 5.3065 5.3065 6.3663 6.3663 9.0189 9.0189 9.7684 9.7684 11.1431 11.1431 12.1429 12.1429 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -7.6408 -7.6408 -7.6317 -7.5210 -7.5210 -7.4978 -7.4890 -7.4890 -6.9728 -6.7883 -6.7424 -6.7424 -6.6902 -6.6902 -6.6523 -6.6446 -6.6446 -6.6415 -6.6190 -6.6190 -2.7060 -2.7060 -2.7049 -2.6919 1.7816 1.8319 1.8617 1.8617 3.2644 3.2644 4.6255 4.6634 4.6634 4.6724 4.9684 4.9684 9.8561 9.8561 11.7840 11.9972 12.0055 12.0055 13.4727 13.8421 k = 0.3333 0.5774 0.0133 ( 3120 PWs) bands (ev): -7.6408 -7.6408 -7.6316 -7.5210 -7.5210 -7.4980 -7.4890 -7.4890 -6.9725 -6.7884 -6.7426 -6.7426 -6.6900 -6.6900 -6.6523 -6.6446 -6.6446 -6.6415 -6.6189 -6.6189 -2.7059 -2.7059 -2.7047 -2.6918 1.7792 1.8294 1.8593 1.8593 3.2658 3.2658 4.6307 4.6676 4.6676 4.6776 4.9664 4.9664 9.8616 9.8616 11.7741 11.9842 11.9935 11.9935 13.4406 13.7820 k = 0.3333 0.5774 0.0266 ( 3120 PWs) bands (ev): -7.6408 -7.6408 -7.6312 -7.5209 -7.5209 -7.4987 -7.4890 -7.4890 -6.9716 -6.7888 -6.7431 -6.7431 -6.6896 -6.6896 -6.6524 -6.6446 -6.6446 -6.6416 -6.6189 -6.6189 -2.7055 -2.7055 -2.7043 -2.6914 1.7723 1.8221 1.8521 1.8521 3.2699 3.2699 4.6461 4.6800 4.6800 4.6931 4.9605 4.9605 9.8781 9.8781 11.7444 11.9454 11.9578 11.9578 13.3716 13.6827 k = 0.3333 0.5774 0.0399 ( 3126 PWs) bands (ev): -7.6408 -7.6408 -7.6306 -7.5208 -7.5208 -7.4997 -7.4889 -7.4889 -6.9701 -6.7895 -6.7439 -6.7439 -6.6889 -6.6889 -6.6525 -6.6446 -6.6446 -6.6418 -6.6189 -6.6189 -2.7049 -2.7049 -2.7036 -2.6909 1.7611 1.8101 1.8405 1.8405 3.2769 3.2769 4.6714 4.6991 4.6991 4.7185 4.9519 4.9519 9.9055 9.9055 11.6954 11.8819 11.8991 11.8991 13.2979 13.5887 k = 0.3333 0.5774 0.0533 ( 3114 PWs) bands (ev): -7.6408 -7.6408 -7.6297 -7.5207 -7.5207 -7.5011 -7.4889 -7.4889 -6.9681 -6.7905 -6.7449 -6.7449 -6.6880 -6.6880 -6.6526 -6.6447 -6.6447 -6.6419 -6.6188 -6.6188 -2.7041 -2.7041 -2.7027 -2.6902 1.7459 1.7938 1.8248 1.8248 3.2865 3.2865 4.7062 4.7221 4.7221 4.7534 4.9433 4.9433 9.9434 9.9434 11.6279 11.7954 11.8191 11.8191 13.2327 13.5075 k = 0.3333 0.5774 0.0666 ( 3117 PWs) bands (ev): -7.6408 -7.6408 -7.6286 -7.5205 -7.5205 -7.5030 -7.4888 -7.4888 -6.9655 -6.7918 -6.7461 -6.7461 -6.6869 -6.6869 -6.6528 -6.6448 -6.6448 -6.6422 -6.6188 -6.6188 -2.7031 -2.7031 -2.7015 -2.6893 1.7272 1.7738 1.8054 1.8054 3.2990 3.2990 4.7431 4.7431 4.7499 4.7972 4.9403 4.9403 9.9917 9.9917 11.5432 11.6891 11.7200 11.7200 13.1796 13.4406 k = 0.3333 0.5774 0.0799 ( 3105 PWs) bands (ev): -7.6408 -7.6408 -7.6273 -7.5203 -7.5203 -7.5052 -7.4888 -7.4888 -6.9624 -6.7934 -6.7475 -6.7475 -6.6856 -6.6856 -6.6529 -6.6449 -6.6449 -6.6425 -6.6187 -6.6187 -2.7019 -2.7019 -2.7001 -2.6882 1.7056 1.7506 1.7830 1.7830 3.3141 3.3141 4.7527 4.7527 4.8017 4.8490 4.9518 4.9518 10.0499 10.0499 11.4434 11.5665 11.6050 11.6050 13.1390 13.3873 k = 0.3333 0.5774 0.0932 ( 3108 PWs) bands (ev): -7.6408 -7.6408 -7.6257 -7.5201 -7.5201 -7.5077 -7.4887 -7.4887 -6.9588 -6.7952 -6.7491 -6.7491 -6.6843 -6.6843 -6.6531 -6.6450 -6.6450 -6.6428 -6.6186 -6.6186 -2.7005 -2.7005 -2.6985 -2.6870 1.6816 1.7249 1.7581 1.7581 3.3320 3.3320 4.7444 4.7444 4.8608 4.9080 4.9838 4.9838 10.1175 10.1175 11.3308 11.4318 11.4775 11.4775 13.1092 13.3382 k = 0.3333 0.5774 0.1065 ( 3108 PWs) bands (ev): -7.6409 -7.6409 -7.6239 -7.5199 -7.5199 -7.5105 -7.4886 -7.4886 -6.9548 -6.7974 -6.7507 -6.7507 -6.6829 -6.6829 -6.6533 -6.6452 -6.6452 -6.6432 -6.6185 -6.6185 -2.6990 -2.6990 -2.6967 -2.6856 1.6559 1.6973 1.7314 1.7314 3.3525 3.3525 4.7206 4.7206 4.9263 4.9732 5.0336 5.0336 10.1942 10.1942 11.2082 11.2887 11.3408 11.3408 13.0885 13.2950 k = 0.3333 0.5774 0.1198 ( 3102 PWs) bands (ev): -7.6409 -7.6409 -7.6218 -7.5196 -7.5196 -7.5137 -7.4885 -7.4885 -6.9503 -6.7999 -6.7524 -6.7524 -6.6814 -6.6814 -6.6535 -6.6453 -6.6453 -6.6436 -6.6184 -6.6184 -2.6973 -2.6973 -2.6947 -2.6842 1.6292 1.6683 1.7036 1.7036 3.3757 3.3757 4.6864 4.6864 4.9971 5.0437 5.0953 5.0953 10.2792 10.2792 11.0781 11.1404 11.1981 11.1981 13.0750 13.2609 k = 0.3333 0.5774 0.1332 ( 3102 PWs) bands (ev): -7.6409 -7.6409 -7.6195 -7.5194 -7.5194 -7.5171 -7.4884 -7.4884 -6.9455 -6.8026 -6.7541 -6.7541 -6.6800 -6.6800 -6.6536 -6.6455 -6.6455 -6.6441 -6.6182 -6.6182 -2.6956 -2.6956 -2.6927 -2.6827 1.6019 1.6388 1.6751 1.6751 3.4015 3.4015 4.6456 4.6456 5.0724 5.1183 5.1648 5.1648 10.3722 10.3722 10.9433 10.9899 11.0525 11.0525 13.0673 13.2344 k = 0.3333 0.5774 0.1465 ( 3102 PWs) bands (ev): -7.6409 -7.6409 -7.6170 -7.5208 -7.5191 -7.5191 -7.4882 -7.4882 -6.9403 -6.8057 -6.7558 -6.7558 -6.6786 -6.6786 -6.6537 -6.6456 -6.6456 -6.6446 -6.6181 -6.6181 -2.6938 -2.6938 -2.6906 -2.6812 1.5746 1.6091 1.6467 1.6467 3.4298 3.4298 4.6000 4.6000 5.1509 5.1959 5.2395 5.2395 10.4720 10.4720 10.8062 10.8395 10.9067 10.9067 13.0640 13.2141 k = 0.3333 0.5774 0.1598 ( 3111 PWs) bands (ev): -7.6409 -7.6409 -7.6143 -7.5246 -7.5189 -7.5189 -7.4881 -7.4881 -6.9348 -6.8091 -6.7574 -6.7574 -6.6773 -6.6773 -6.6538 -6.6458 -6.6458 -6.6451 -6.6180 -6.6180 -2.6920 -2.6920 -2.6884 -2.6796 1.5479 1.5799 1.6187 1.6187 3.4606 3.4606 4.5510 4.5510 5.2316 5.2754 5.3173 5.3173 10.5755 10.5755 10.6691 10.6913 10.7658 10.7658 13.0642 13.1988 k = 0.3333 0.5774 0.1731 ( 3111 PWs) bands (ev): -7.6409 -7.6409 -7.6114 -7.5287 -7.5186 -7.5186 -7.4880 -7.4880 -6.9290 -6.8129 -6.7590 -6.7590 -6.6760 -6.6760 -6.6539 -6.6459 -6.6459 -6.6457 -6.6178 -6.6178 -2.6902 -2.6902 -2.6862 -2.6781 1.5222 1.5516 1.5917 1.5917 3.4939 3.4939 4.4993 4.4993 5.3132 5.3555 5.3965 5.3965 10.5341 10.5474 10.6007 10.6007 10.7132 10.7132 13.0670 13.1872 k = 0.3333 0.5774 0.1864 ( 3117 PWs) bands (ev): -7.6409 -7.6409 -7.6083 -7.5329 -7.5184 -7.5184 -7.4879 -7.4879 -6.9230 -6.8169 -6.7604 -6.7604 -6.6748 -6.6748 -6.6539 -6.6462 -6.6461 -6.6461 -6.6177 -6.6177 -2.6884 -2.6884 -2.6841 -2.6767 1.4979 1.5246 1.5660 1.5660 3.5295 3.5295 4.4458 4.4458 5.3944 5.4348 5.4757 5.4757 10.4032 10.4095 10.4748 10.4748 10.8233 10.8233 13.0719 13.1787 k = 0.3333 0.5774 0.1997 ( 3123 PWs) bands (ev): -7.6409 -7.6409 -7.6050 -7.5372 -7.5181 -7.5181 -7.4878 -7.4878 -6.9168 -6.8212 -6.7618 -6.7618 -6.6737 -6.6737 -6.6539 -6.6468 -6.6463 -6.6463 -6.6175 -6.6175 -2.6867 -2.6867 -2.6820 -2.6753 1.4754 1.4993 1.5422 1.5422 3.5674 3.5674 4.3908 4.3908 5.4739 5.5118 5.5533 5.5533 10.2784 10.2793 10.3471 10.3471 10.9479 10.9479 13.0782 13.1723 k = 0.3333 0.5774 0.2130 ( 3123 PWs) bands (ev): -7.6410 -7.6410 -7.6016 -7.5416 -7.5179 -7.5179 -7.4877 -7.4877 -6.9104 -6.8258 -6.7630 -6.7630 -6.6727 -6.6727 -6.6537 -6.6474 -6.6464 -6.6464 -6.6174 -6.6174 -2.6852 -2.6852 -2.6800 -2.6741 1.4550 1.4761 1.5204 1.5204 3.6075 3.6075 4.3348 4.3348 5.5502 5.5852 5.6276 5.6276 10.1586 10.1615 10.2274 10.2274 11.0788 11.0788 13.0856 13.1443 k = 0.3333 0.5774 0.2264 ( 3123 PWs) bands (ev): -7.6410 -7.6410 -7.5979 -7.5461 -7.5177 -7.5177 -7.4876 -7.4876 -6.9040 -6.8307 -6.7641 -6.7641 -6.6718 -6.6718 -6.6536 -6.6481 -6.6465 -6.6465 -6.6173 -6.6173 -2.6837 -2.6837 -2.6781 -2.6731 1.4370 1.4552 1.5009 1.5009 3.6497 3.6497 4.2783 4.2783 5.6216 5.6531 5.6969 5.6969 10.0493 10.0546 10.1181 10.1181 11.2147 11.2147 13.0138 13.0138 k = 0.3333 0.5774 0.2397 ( 3123 PWs) bands (ev): -7.6410 -7.6410 -7.5941 -7.5506 -7.5175 -7.5175 -7.4875 -7.4875 -6.8975 -6.8359 -6.7651 -6.7651 -6.6711 -6.6711 -6.6534 -6.6487 -6.6467 -6.6467 -6.6172 -6.6172 -2.6825 -2.6825 -2.6764 -2.6722 1.4216 1.4369 1.4841 1.4841 3.6940 3.6940 4.2216 4.2216 5.6866 5.7141 5.7597 5.7597 9.9529 9.9595 10.0214 10.0214 11.3549 11.3549 12.8726 12.8726 k = 0.3333 0.5774 0.2530 ( 3117 PWs) bands (ev): -7.6410 -7.6410 -7.5902 -7.5552 -7.5174 -7.5174 -7.4874 -7.4874 -6.8909 -6.8413 -6.7659 -6.7659 -6.6704 -6.6704 -6.6531 -6.6493 -6.6468 -6.6468 -6.6171 -6.6171 -2.6814 -2.6814 -2.6749 -2.6715 1.4091 1.4213 1.4700 1.4700 3.7401 3.7401 4.1650 4.1650 5.7434 5.7663 5.8140 5.8140 9.8714 9.8782 9.9390 9.9390 11.4989 11.4989 12.7254 12.7254 k = 0.3333 0.5774 0.2663 ( 3120 PWs) bands (ev): -7.6410 -7.6410 -7.5861 -7.5598 -7.5173 -7.5173 -7.4873 -7.4873 -6.8843 -6.8470 -6.7665 -6.7665 -6.6700 -6.6700 -6.6528 -6.6498 -6.6468 -6.6468 -6.6170 -6.6170 -2.6806 -2.6806 -2.6736 -2.6711 1.3995 1.4087 1.4590 1.4590 3.7879 3.7879 4.1089 4.1089 5.7904 5.8081 5.8584 5.8584 9.8063 9.8123 9.8728 9.8728 11.6460 11.6460 12.5744 12.5744 k = 0.3333 0.5774 0.2796 ( 3117 PWs) bands (ev): -7.6410 -7.6410 -7.5820 -7.5643 -7.5172 -7.5172 -7.4873 -7.4873 -6.8778 -6.8528 -6.7669 -6.7669 -6.6696 -6.6696 -6.6524 -6.6504 -6.6469 -6.6469 -6.6169 -6.6169 -2.6799 -2.6799 -2.6726 -2.6708 1.3930 1.3992 1.4510 1.4510 3.8371 3.8371 4.0536 4.0536 5.8262 5.8383 5.8913 5.8913 9.7591 9.7635 9.8243 9.8243 11.7951 11.7951 12.4219 12.4219 k = 0.3333 0.5774 0.2929 ( 3117 PWs) bands (ev): -7.6410 -7.6410 -7.5777 -7.5688 -7.5171 -7.5171 -7.4873 -7.4873 -6.8714 -6.8589 -6.7672 -6.7672 -6.6694 -6.6694 -6.6519 -6.6510 -6.6469 -6.6469 -6.6169 -6.6169 -2.6796 -2.6796 -2.6717 -2.6709 1.3897 1.3928 1.4461 1.4461 3.8868 3.8868 4.0003 4.0003 5.8494 5.8556 5.9116 5.9116 9.7308 9.7331 9.7947 9.7947 11.9435 11.9435 12.2710 12.2710 k = 0.3333 0.5774 0.3063 ( 3120 PWs) bands (ev): -7.6410 -7.6410 -7.5733 -7.5733 -7.5171 -7.5171 -7.4873 -7.4873 -6.8651 -6.8651 -6.7673 -6.7673 -6.6693 -6.6693 -6.6515 -6.6515 -6.6469 -6.6469 -6.6169 -6.6169 -2.6794 -2.6794 -2.6712 -2.6712 1.3896 1.3896 1.4445 1.4445 3.9235 3.9235 3.9624 3.9624 5.8593 5.8593 5.9184 5.9184 9.7221 9.7221 9.7847 9.7847 12.0535 12.0535 12.1602 12.1602 Writing output data file InAs.save init_run : 5.05s CPU 14.30s WALL ( 1 calls) electrons : 497.83s CPU 505.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 497.80s CPU 504.99s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.93s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.08s CPU 0.53s WALL ( 1 calls) newd : 0.32s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 316 calls) cegterg : 319.68s CPU 322.05s WALL ( 596 calls) Called by sum_band: Called by *egterg: h_psi : 155.63s CPU 160.94s WALL ( 9345 calls) s_psi : 11.99s CPU 12.43s WALL ( 9345 calls) g_psi : 0.28s CPU 0.33s WALL ( 8433 calls) cdiaghg : 112.02s CPU 110.39s WALL ( 8749 calls) cegterg:over : 28.19s CPU 25.78s WALL ( 8433 calls) cegterg:upda : 3.41s CPU 5.47s WALL ( 8433 calls) cegterg:last : 3.49s CPU 4.11s WALL ( 1544 calls) Called by h_psi: h_psi:vloc : 130.19s CPU 134.70s WALL ( 9345 calls) h_psi:vnl : 25.36s CPU 25.92s WALL ( 9345 calls) add_vuspsi : 6.83s CPU 9.33s WALL ( 9345 calls) General routines calbec : 18.50s CPU 16.48s WALL ( 9345 calls) fft : 0.26s CPU 1.36s WALL ( 19 calls) ffts : 0.02s CPU 0.08s WALL ( 4 calls) fftw : 123.40s CPU 127.63s WALL ( 842600 calls) interpolate : 0.03s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 6.18s WALL ( 632 calls) Parallel routines fft_scatter : 77.37s CPU 78.01s WALL ( 842623 calls) PWSCF : 9m36.63s CPU 11m55.12s WALL This run was terminated on: 4:14:48 27Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=