Program PWSCF v.5.1.1 starts on 18Jul2015 at 15:36:28 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 25 16 5 1195 626 99 Max 26 17 6 1206 643 104 Sum 1237 805 241 57669 30321 4855 bravais-lattice index = 14 lattice parameter (alat) = 8.0748 a.u. unit-cell volume = 745.7752 (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 = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.074799 celldm(2)= 1.000000 celldm(3)= 1.635619 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 1.635619 ) 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 0.611389 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 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 ) ( 0.8178095 ) 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 ) ( 0.8178095 ) 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 ) ( 0.8178095 ) 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 ) ( 0.8178095 ) 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 ) ( 0.8178095 ) 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 ) ( 0.8178095 ) 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= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0132911), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0265821), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0398732), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0531643), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.0664554), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.0797464), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.0930375), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1063286), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1196196), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.1329107), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.1462018), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.1594929), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.1727839), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.1860750), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.1993661), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.2126572), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.2259482), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.2392393), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.2525304), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.2658214), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.2791125), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.2924036), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.3056947), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.3056947), wk = 0.0031847 k( 147) = ( 0.0116279 0.0067134 0.3056947), wk = 0.0031847 k( 148) = ( 0.0232558 0.0134267 0.3056947), wk = 0.0031847 k( 149) = ( 0.0348837 0.0201401 0.3056947), wk = 0.0031847 k( 150) = ( 0.0465116 0.0268535 0.3056947), wk = 0.0031847 k( 151) = ( 0.0581395 0.0335669 0.3056947), wk = 0.0031847 k( 152) = ( 0.0697674 0.0402803 0.3056947), wk = 0.0031847 k( 153) = ( 0.0813954 0.0469936 0.3056947), wk = 0.0031847 k( 154) = ( 0.0930233 0.0537070 0.3056947), wk = 0.0031847 k( 155) = ( 0.1046512 0.0604204 0.3056947), wk = 0.0031847 k( 156) = ( 0.1162791 0.0671338 0.3056947), wk = 0.0031847 k( 157) = ( 0.1279070 0.0738471 0.3056947), wk = 0.0031847 k( 158) = ( 0.1395349 0.0805605 0.3056947), wk = 0.0031847 k( 159) = ( 0.1511628 0.0872739 0.3056947), wk = 0.0031847 k( 160) = ( 0.1627907 0.0939873 0.3056947), wk = 0.0031847 k( 161) = ( 0.1744186 0.1007006 0.3056947), wk = 0.0031847 k( 162) = ( 0.1860465 0.1074140 0.3056947), wk = 0.0031847 k( 163) = ( 0.1976744 0.1141274 0.3056947), wk = 0.0031847 k( 164) = ( 0.2093023 0.1208408 0.3056947), wk = 0.0031847 k( 165) = ( 0.2209302 0.1275541 0.3056947), wk = 0.0031847 k( 166) = ( 0.2325581 0.1342675 0.3056947), wk = 0.0031847 k( 167) = ( 0.2441860 0.1409809 0.3056947), wk = 0.0031847 k( 168) = ( 0.2558140 0.1476943 0.3056947), wk = 0.0031847 k( 169) = ( 0.2674419 0.1544076 0.3056947), wk = 0.0031847 k( 170) = ( 0.2790698 0.1611210 0.3056947), wk = 0.0031847 k( 171) = ( 0.2906977 0.1678344 0.3056947), wk = 0.0031847 k( 172) = ( 0.3023256 0.1745478 0.3056947), wk = 0.0031847 k( 173) = ( 0.3139535 0.1812611 0.3056947), wk = 0.0031847 k( 174) = ( 0.3255814 0.1879745 0.3056947), wk = 0.0031847 k( 175) = ( 0.3372093 0.1946879 0.3056947), wk = 0.0031847 k( 176) = ( 0.3488372 0.2014013 0.3056947), wk = 0.0031847 k( 177) = ( 0.3604651 0.2081146 0.3056947), wk = 0.0031847 k( 178) = ( 0.3720930 0.2148280 0.3056947), wk = 0.0031847 k( 179) = ( 0.3837209 0.2215414 0.3056947), wk = 0.0031847 k( 180) = ( 0.3953488 0.2282548 0.3056947), wk = 0.0031847 k( 181) = ( 0.4069767 0.2349681 0.3056947), wk = 0.0031847 k( 182) = ( 0.4186047 0.2416815 0.3056947), wk = 0.0031847 k( 183) = ( 0.4302326 0.2483949 0.3056947), wk = 0.0031847 k( 184) = ( 0.4418605 0.2551083 0.3056947), wk = 0.0031847 k( 185) = ( 0.4534884 0.2618216 0.3056947), wk = 0.0031847 k( 186) = ( 0.4651163 0.2685350 0.3056947), wk = 0.0031847 k( 187) = ( 0.4767442 0.2752484 0.3056947), wk = 0.0031847 k( 188) = ( 0.4883721 0.2819618 0.3056947), wk = 0.0031847 k( 189) = ( 0.5000000 0.2886751 0.3056947), wk = 0.0031847 k( 190) = ( 0.5000000 0.2886751 0.3056947), wk = 0.0031847 k( 191) = ( 0.4933333 0.3002221 0.3056947), wk = 0.0031847 k( 192) = ( 0.4866667 0.3117692 0.3056947), wk = 0.0031847 k( 193) = ( 0.4800000 0.3233162 0.3056947), wk = 0.0031847 k( 194) = ( 0.4733333 0.3348632 0.3056947), wk = 0.0031847 k( 195) = ( 0.4666667 0.3464102 0.3056947), wk = 0.0031847 k( 196) = ( 0.4600000 0.3579572 0.3056947), wk = 0.0031847 k( 197) = ( 0.4533333 0.3695042 0.3056947), wk = 0.0031847 k( 198) = ( 0.4466667 0.3810512 0.3056947), wk = 0.0031847 k( 199) = ( 0.4400000 0.3925982 0.3056947), wk = 0.0031847 k( 200) = ( 0.4333333 0.4041452 0.3056947), wk = 0.0031847 k( 201) = ( 0.4266667 0.4156922 0.3056947), wk = 0.0031847 k( 202) = ( 0.4200000 0.4272392 0.3056947), wk = 0.0031847 k( 203) = ( 0.4133333 0.4387862 0.3056947), wk = 0.0031847 k( 204) = ( 0.4066667 0.4503332 0.3056947), wk = 0.0031847 k( 205) = ( 0.4000000 0.4618802 0.3056947), wk = 0.0031847 k( 206) = ( 0.3933333 0.4734272 0.3056947), wk = 0.0031847 k( 207) = ( 0.3866667 0.4849742 0.3056947), wk = 0.0031847 k( 208) = ( 0.3800000 0.4965212 0.3056947), wk = 0.0031847 k( 209) = ( 0.3733333 0.5080682 0.3056947), wk = 0.0031847 k( 210) = ( 0.3666667 0.5196152 0.3056947), wk = 0.0031847 k( 211) = ( 0.3600000 0.5311622 0.3056947), wk = 0.0031847 k( 212) = ( 0.3533333 0.5427092 0.3056947), wk = 0.0031847 k( 213) = ( 0.3466667 0.5542563 0.3056947), wk = 0.0031847 k( 214) = ( 0.3400000 0.5658033 0.3056947), wk = 0.0031847 k( 215) = ( 0.3333333 0.5773503 0.3056947), wk = 0.0031847 k( 216) = ( 0.3333333 0.5773503 0.3056947), wk = 0.0031847 k( 217) = ( 0.3266667 0.5658033 0.3056947), wk = 0.0031847 k( 218) = ( 0.3200000 0.5542563 0.3056947), wk = 0.0031847 k( 219) = ( 0.3133333 0.5427092 0.3056947), wk = 0.0031847 k( 220) = ( 0.3066667 0.5311623 0.3056947), wk = 0.0031847 k( 221) = ( 0.3000000 0.5196152 0.3056947), wk = 0.0031847 k( 222) = ( 0.2933333 0.5080682 0.3056947), wk = 0.0031847 k( 223) = ( 0.2866667 0.4965212 0.3056947), wk = 0.0031847 k( 224) = ( 0.2800000 0.4849742 0.3056947), wk = 0.0031847 k( 225) = ( 0.2733333 0.4734272 0.3056947), wk = 0.0031847 k( 226) = ( 0.2666667 0.4618802 0.3056947), wk = 0.0031847 k( 227) = ( 0.2600000 0.4503332 0.3056947), wk = 0.0031847 k( 228) = ( 0.2533333 0.4387862 0.3056947), wk = 0.0031847 k( 229) = ( 0.2466667 0.4272392 0.3056947), wk = 0.0031847 k( 230) = ( 0.2400000 0.4156922 0.3056947), wk = 0.0031847 k( 231) = ( 0.2333333 0.4041452 0.3056947), wk = 0.0031847 k( 232) = ( 0.2266667 0.3925982 0.3056947), wk = 0.0031847 k( 233) = ( 0.2200000 0.3810512 0.3056947), wk = 0.0031847 k( 234) = ( 0.2133333 0.3695042 0.3056947), wk = 0.0031847 k( 235) = ( 0.2066667 0.3579572 0.3056947), wk = 0.0031847 k( 236) = ( 0.2000000 0.3464102 0.3056947), wk = 0.0031847 k( 237) = ( 0.1933333 0.3348632 0.3056947), wk = 0.0031847 k( 238) = ( 0.1866667 0.3233162 0.3056947), wk = 0.0031847 k( 239) = ( 0.1800000 0.3117691 0.3056947), wk = 0.0031847 k( 240) = ( 0.1733333 0.3002221 0.3056947), wk = 0.0031847 k( 241) = ( 0.1666667 0.2886751 0.3056947), wk = 0.0031847 k( 242) = ( 0.1600000 0.2771281 0.3056947), wk = 0.0031847 k( 243) = ( 0.1533333 0.2655811 0.3056947), wk = 0.0031847 k( 244) = ( 0.1466667 0.2540341 0.3056947), wk = 0.0031847 k( 245) = ( 0.1400000 0.2424871 0.3056947), wk = 0.0031847 k( 246) = ( 0.1333333 0.2309401 0.3056947), wk = 0.0031847 k( 247) = ( 0.1266667 0.2193931 0.3056947), wk = 0.0031847 k( 248) = ( 0.1200000 0.2078461 0.3056947), wk = 0.0031847 k( 249) = ( 0.1133333 0.1962991 0.3056947), wk = 0.0031847 k( 250) = ( 0.1066667 0.1847521 0.3056947), wk = 0.0031847 k( 251) = ( 0.1000000 0.1732051 0.3056947), wk = 0.0031847 k( 252) = ( 0.0933333 0.1616581 0.3056947), wk = 0.0031847 k( 253) = ( 0.0866667 0.1501111 0.3056947), wk = 0.0031847 k( 254) = ( 0.0800000 0.1385641 0.3056947), wk = 0.0031847 k( 255) = ( 0.0733333 0.1270171 0.3056947), wk = 0.0031847 k( 256) = ( 0.0666667 0.1154701 0.3056947), wk = 0.0031847 k( 257) = ( 0.0600000 0.1039230 0.3056947), wk = 0.0031847 k( 258) = ( 0.0533333 0.0923760 0.3056947), wk = 0.0031847 k( 259) = ( 0.0466667 0.0808290 0.3056947), wk = 0.0031847 k( 260) = ( 0.0400000 0.0692820 0.3056947), wk = 0.0031847 k( 261) = ( 0.0333333 0.0577350 0.3056947), wk = 0.0031847 k( 262) = ( 0.0266667 0.0461880 0.3056947), wk = 0.0031847 k( 263) = ( 0.0200000 0.0346410 0.3056947), wk = 0.0031847 k( 264) = ( 0.0133333 0.0230940 0.3056947), wk = 0.0031847 k( 265) = ( 0.0066667 0.0115470 0.3056947), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.3056947), wk = 0.0031847 k( 267) = ( 0.5000000 0.2886751 0.3056947), wk = 0.0031847 k( 268) = ( 0.5000000 0.2886751 0.2924036), wk = 0.0031847 k( 269) = ( 0.5000000 0.2886751 0.2791125), wk = 0.0031847 k( 270) = ( 0.5000000 0.2886751 0.2658214), wk = 0.0031847 k( 271) = ( 0.5000000 0.2886751 0.2525304), wk = 0.0031847 k( 272) = ( 0.5000000 0.2886751 0.2392393), wk = 0.0031847 k( 273) = ( 0.5000000 0.2886751 0.2259482), wk = 0.0031847 k( 274) = ( 0.5000000 0.2886751 0.2126572), wk = 0.0031847 k( 275) = ( 0.5000000 0.2886751 0.1993661), wk = 0.0031847 k( 276) = ( 0.5000000 0.2886751 0.1860750), wk = 0.0031847 k( 277) = ( 0.5000000 0.2886751 0.1727839), wk = 0.0031847 k( 278) = ( 0.5000000 0.2886751 0.1594929), wk = 0.0031847 k( 279) = ( 0.5000000 0.2886751 0.1462018), wk = 0.0031847 k( 280) = ( 0.5000000 0.2886751 0.1329107), wk = 0.0031847 k( 281) = ( 0.5000000 0.2886751 0.1196196), wk = 0.0031847 k( 282) = ( 0.5000000 0.2886751 0.1063286), wk = 0.0031847 k( 283) = ( 0.5000000 0.2886751 0.0930375), wk = 0.0031847 k( 284) = ( 0.5000000 0.2886751 0.0797464), wk = 0.0031847 k( 285) = ( 0.5000000 0.2886751 0.0664554), wk = 0.0031847 k( 286) = ( 0.5000000 0.2886751 0.0531643), wk = 0.0031847 k( 287) = ( 0.5000000 0.2886751 0.0398732), wk = 0.0031847 k( 288) = ( 0.5000000 0.2886751 0.0265821), wk = 0.0031847 k( 289) = ( 0.5000000 0.2886751 0.0132911), wk = 0.0031847 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.5773503 0.0132911), wk = 0.0031847 k( 293) = ( 0.3333333 0.5773503 0.0265821), wk = 0.0031847 k( 294) = ( 0.3333333 0.5773503 0.0398732), wk = 0.0031847 k( 295) = ( 0.3333333 0.5773503 0.0531643), wk = 0.0031847 k( 296) = ( 0.3333333 0.5773503 0.0664554), wk = 0.0031847 k( 297) = ( 0.3333333 0.5773503 0.0797464), wk = 0.0031847 k( 298) = ( 0.3333333 0.5773503 0.0930375), wk = 0.0031847 k( 299) = ( 0.3333333 0.5773503 0.1063286), wk = 0.0031847 k( 300) = ( 0.3333333 0.5773503 0.1196196), wk = 0.0031847 k( 301) = ( 0.3333333 0.5773503 0.1329107), wk = 0.0031847 k( 302) = ( 0.3333333 0.5773503 0.1462018), wk = 0.0031847 k( 303) = ( 0.3333333 0.5773503 0.1594929), wk = 0.0031847 k( 304) = ( 0.3333333 0.5773503 0.1727839), wk = 0.0031847 k( 305) = ( 0.3333333 0.5773503 0.1860750), wk = 0.0031847 k( 306) = ( 0.3333333 0.5773503 0.1993661), wk = 0.0031847 k( 307) = ( 0.3333333 0.5773503 0.2126572), wk = 0.0031847 k( 308) = ( 0.3333333 0.5773503 0.2259482), wk = 0.0031847 k( 309) = ( 0.3333333 0.5773503 0.2392393), wk = 0.0031847 k( 310) = ( 0.3333333 0.5773503 0.2525304), wk = 0.0031847 k( 311) = ( 0.3333333 0.5773503 0.2658214), wk = 0.0031847 k( 312) = ( 0.3333333 0.5773503 0.2791125), wk = 0.0031847 k( 313) = ( 0.3333333 0.5773503 0.2924036), wk = 0.0031847 k( 314) = ( 0.3333333 0.5773503 0.3056947), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0031847 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0031847 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0031847 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0031847 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0031847 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0031847 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0031847 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0031847 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0031847 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0031847 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0031847 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0031847 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0031847 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0031847 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0031847 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0031847 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0031847 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0031847 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0031847 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0031847 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0031847 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0031847 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0031847 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0031847 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0031847 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0031847 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0031847 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0031847 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0031847 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0031847 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0031847 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0031847 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0031847 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0031847 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0031847 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0031847 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0031847 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0031847 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0031847 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0031847 k( 42) = ( 0.4767442 0.0000000 -0.0000000), wk = 0.0031847 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0031847 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031847 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0031847 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0031847 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031847 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0031847 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031847 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031847 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0031847 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031847 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0031847 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0031847 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0031847 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0031847 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0031847 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0031847 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0031847 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031847 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0031847 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0031847 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0031847 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0031847 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0031847 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0031847 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0031847 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031847 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031847 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0031847 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031847 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0031847 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0031847 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0031847 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0031847 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0031847 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031847 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0031847 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031847 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031847 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0031847 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0031847 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031847 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0031847 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0031847 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031847 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0031847 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0031847 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031847 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0031847 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0031847 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031847 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0031847 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031847 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031847 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0031847 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0031847 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031847 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0031847 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0031847 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031847 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0031847 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0031847 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0031847 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0031847 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0031847 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0031847 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0031847 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031847 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0031847 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0031847 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031847 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0031847 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0031847 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031847 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0031847 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0031847 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 123) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031847 k( 124) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031847 k( 125) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031847 k( 126) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031847 k( 127) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031847 k( 128) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031847 k( 129) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031847 k( 130) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031847 k( 131) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031847 k( 132) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031847 k( 133) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031847 k( 134) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031847 k( 135) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031847 k( 136) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031847 k( 137) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031847 k( 138) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031847 k( 139) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031847 k( 140) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031847 k( 141) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031847 k( 144) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031847 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 147) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0031847 k( 148) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0031847 k( 149) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0031847 k( 150) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0031847 k( 151) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0031847 k( 152) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0031847 k( 153) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0031847 k( 154) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0031847 k( 155) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0031847 k( 156) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0031847 k( 157) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0031847 k( 158) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0031847 k( 159) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0031847 k( 160) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0031847 k( 161) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0031847 k( 162) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0031847 k( 163) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0031847 k( 164) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0031847 k( 165) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0031847 k( 166) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0031847 k( 167) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0031847 k( 168) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0031847 k( 169) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0031847 k( 170) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0031847 k( 171) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0031847 k( 172) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0031847 k( 173) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0031847 k( 174) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0031847 k( 175) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0031847 k( 176) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0031847 k( 177) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0031847 k( 178) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0031847 k( 179) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0031847 k( 180) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0031847 k( 181) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0031847 k( 182) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0031847 k( 183) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0031847 k( 184) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0031847 k( 185) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0031847 k( 186) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0031847 k( 187) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0031847 k( 188) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0031847 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 191) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031847 k( 192) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031847 k( 193) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031847 k( 194) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031847 k( 195) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031847 k( 196) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031847 k( 197) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031847 k( 198) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031847 k( 199) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031847 k( 200) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031847 k( 201) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031847 k( 202) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031847 k( 203) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031847 k( 204) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031847 k( 205) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031847 k( 206) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031847 k( 207) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031847 k( 208) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031847 k( 209) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031847 k( 210) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031847 k( 211) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031847 k( 212) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031847 k( 213) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031847 k( 214) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031847 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 216) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 k( 217) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0031847 k( 218) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031847 k( 219) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0031847 k( 220) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0031847 k( 221) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031847 k( 222) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0031847 k( 223) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0031847 k( 224) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031847 k( 225) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0031847 k( 226) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031847 k( 227) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031847 k( 228) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0031847 k( 229) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0031847 k( 230) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031847 k( 231) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0031847 k( 232) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0031847 k( 233) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031847 k( 234) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0031847 k( 235) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0031847 k( 236) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031847 k( 237) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0031847 k( 238) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0031847 k( 239) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031847 k( 240) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0031847 k( 241) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031847 k( 242) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031847 k( 243) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0031847 k( 244) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0031847 k( 245) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031847 k( 246) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031847 k( 247) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0031847 k( 248) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031847 k( 249) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0031847 k( 250) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0031847 k( 251) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031847 k( 252) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0031847 k( 253) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0031847 k( 254) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031847 k( 255) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0031847 k( 256) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031847 k( 257) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031847 k( 258) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0031847 k( 259) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0031847 k( 260) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031847 k( 261) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0031847 k( 262) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0031847 k( 263) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031847 k( 264) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0031847 k( 265) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0031847 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 268) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031847 k( 269) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031847 k( 270) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031847 k( 271) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031847 k( 272) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031847 k( 273) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031847 k( 274) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031847 k( 275) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031847 k( 276) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031847 k( 277) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031847 k( 278) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031847 k( 279) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031847 k( 280) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031847 k( 281) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031847 k( 282) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031847 k( 283) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031847 k( 284) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031847 k( 285) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031847 k( 286) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031847 k( 287) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031847 k( 288) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031847 k( 289) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031847 k( 290) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 291) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031847 k( 292) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031847 k( 293) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031847 k( 294) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031847 k( 295) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031847 k( 296) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0031847 k( 297) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031847 k( 298) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031847 k( 299) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031847 k( 300) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031847 k( 301) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031847 k( 302) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031847 k( 303) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031847 k( 304) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031847 k( 305) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031847 k( 306) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031847 k( 307) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031847 k( 308) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031847 k( 309) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031847 k( 310) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031847 k( 311) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031847 k( 312) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031847 k( 313) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031847 k( 314) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031847 Dense grid: 57669 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 30321 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 178, 44) NL pseudopotentials 0.18 Mb ( 89, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1197) G-vector shells 0.00 Mb ( 521) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 178, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnTe.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 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.9 secs Computing kpt #: 3 total cpu time spent up to now is 45.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.3 secs Computing kpt #: 5 total cpu time spent up to now is 47.6 secs Computing kpt #: 6 total cpu time spent up to now is 48.9 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 51.4 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 53.8 secs Computing kpt #: 11 total cpu time spent up to now is 55.1 secs Computing kpt #: 12 total cpu time spent up to now is 56.3 secs Computing kpt #: 13 total cpu time spent up to now is 57.5 secs Computing kpt #: 14 total cpu time spent up to now is 58.8 secs Computing kpt #: 15 total cpu time spent up to now is 60.0 secs Computing kpt #: 16 total cpu time spent up to now is 61.3 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 63.9 secs Computing kpt #: 19 total cpu time spent up to now is 65.3 secs Computing kpt #: 20 total cpu time spent up to now is 66.7 secs Computing kpt #: 21 total cpu time spent up to now is 68.0 secs Computing kpt #: 22 total cpu time spent up to now is 69.3 secs Computing kpt #: 23 total cpu time spent up to now is 70.7 secs Computing kpt #: 24 total cpu time spent up to now is 72.0 secs Computing kpt #: 25 total cpu time spent up to now is 73.4 secs Computing kpt #: 26 total cpu time spent up to now is 74.7 secs Computing kpt #: 27 total cpu time spent up to now is 76.1 secs Computing kpt #: 28 total cpu time spent up to now is 77.4 secs Computing kpt #: 29 total cpu time spent up to now is 78.7 secs Computing kpt #: 30 total cpu time spent up to now is 80.0 secs Computing kpt #: 31 total cpu time spent up to now is 81.3 secs Computing kpt #: 32 total cpu time spent up to now is 82.5 secs Computing kpt #: 33 total cpu time spent up to now is 83.9 secs Computing kpt #: 34 total cpu time spent up to now is 85.1 secs Computing kpt #: 35 total cpu time spent up to now is 86.4 secs Computing kpt #: 36 total cpu time spent up to now is 87.7 secs Computing kpt #: 37 total cpu time spent up to now is 89.1 secs Computing kpt #: 38 total cpu time spent up to now is 90.5 secs Computing kpt #: 39 total cpu time spent up to now is 91.8 secs Computing kpt #: 40 total cpu time spent up to now is 93.0 secs Computing kpt #: 41 total cpu time spent up to now is 94.2 secs Computing kpt #: 42 total cpu time spent up to now is 95.5 secs Computing kpt #: 43 total cpu time spent up to now is 96.8 secs Computing kpt #: 44 total cpu time spent up to now is 98.1 secs Computing kpt #: 45 total cpu time spent up to now is 99.3 secs Computing kpt #: 46 total cpu time spent up to now is 100.5 secs Computing kpt #: 47 total cpu time spent up to now is 101.8 secs Computing kpt #: 48 total cpu time spent up to now is 103.1 secs Computing kpt #: 49 total cpu time spent up to now is 104.3 secs Computing kpt #: 50 total cpu time spent up to now is 105.5 secs Computing kpt #: 51 total cpu time spent up to now is 106.8 secs Computing kpt #: 52 total cpu time spent up to now is 108.1 secs Computing kpt #: 53 total cpu time spent up to now is 109.3 secs Computing kpt #: 54 total cpu time spent up to now is 110.5 secs Computing kpt #: 55 total cpu time spent up to now is 111.8 secs Computing kpt #: 56 total cpu time spent up to now is 113.0 secs Computing kpt #: 57 total cpu time spent up to now is 114.2 secs Computing kpt #: 58 total cpu time spent up to now is 115.5 secs Computing kpt #: 59 total cpu time spent up to now is 116.8 secs Computing kpt #: 60 total cpu time spent up to now is 118.1 secs Computing kpt #: 61 total cpu time spent up to now is 119.6 secs Computing kpt #: 62 total cpu time spent up to now is 121.6 secs Computing kpt #: 63 total cpu time spent up to now is 123.3 secs Computing kpt #: 64 total cpu time spent up to now is 125.0 secs Computing kpt #: 65 total cpu time spent up to now is 126.8 secs Computing kpt #: 66 total cpu time spent up to now is 128.4 secs Computing kpt #: 67 total cpu time spent up to now is 130.4 secs Computing kpt #: 68 total cpu time spent up to now is 132.5 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.4 secs Computing kpt #: 70 total cpu time spent up to now is 137.5 secs Computing kpt #: 71 total cpu time spent up to now is 139.5 secs Computing kpt #: 72 total cpu time spent up to now is 141.5 secs Computing kpt #: 73 total cpu time spent up to now is 143.4 secs Computing kpt #: 74 total cpu time spent up to now is 145.1 secs Computing kpt #: 75 total cpu time spent up to now is 146.7 secs Computing kpt #: 76 total cpu time spent up to now is 148.3 secs Computing kpt #: 77 total cpu time spent up to now is 149.8 secs Computing kpt #: 78 total cpu time spent up to now is 151.2 secs Computing kpt #: 79 total cpu time spent up to now is 152.6 secs Computing kpt #: 80 total cpu time spent up to now is 153.9 secs Computing kpt #: 81 total cpu time spent up to now is 155.3 secs Computing kpt #: 82 total cpu time spent up to now is 156.7 secs Computing kpt #: 83 total cpu time spent up to now is 158.0 secs Computing kpt #: 84 total cpu time spent up to now is 159.2 secs Computing kpt #: 85 total cpu time spent up to now is 160.5 secs Computing kpt #: 86 total cpu time spent up to now is 161.7 secs Computing kpt #: 87 total cpu time spent up to now is 163.0 secs Computing kpt #: 88 total cpu time spent up to now is 164.1 secs Computing kpt #: 89 total cpu time spent up to now is 165.3 secs Computing kpt #: 90 total cpu time spent up to now is 166.5 secs Computing kpt #: 91 total cpu time spent up to now is 167.7 secs Computing kpt #: 92 total cpu time spent up to now is 168.9 secs Computing kpt #: 93 total cpu time spent up to now is 170.1 secs Computing kpt #: 94 total cpu time spent up to now is 171.3 secs Computing kpt #: 95 total cpu time spent up to now is 172.5 secs Computing kpt #: 96 total cpu time spent up to now is 173.7 secs Computing kpt #: 97 total cpu time spent up to now is 174.9 secs Computing kpt #: 98 total cpu time spent up to now is 176.1 secs Computing kpt #: 99 total cpu time spent up to now is 177.3 secs Computing kpt #: 100 total cpu time spent up to now is 178.5 secs Computing kpt #: 101 total cpu time spent up to now is 179.8 secs Computing kpt #: 102 total cpu time spent up to now is 181.0 secs Computing kpt #: 103 total cpu time spent up to now is 182.3 secs Computing kpt #: 104 total cpu time spent up to now is 183.5 secs Computing kpt #: 105 total cpu time spent up to now is 184.8 secs Computing kpt #: 106 total cpu time spent up to now is 186.1 secs Computing kpt #: 107 total cpu time spent up to now is 187.3 secs Computing kpt #: 108 total cpu time spent up to now is 188.6 secs Computing kpt #: 109 total cpu time spent up to now is 189.8 secs Computing kpt #: 110 total cpu time spent up to now is 191.0 secs Computing kpt #: 111 total cpu time spent up to now is 192.3 secs Computing kpt #: 112 total cpu time spent up to now is 193.6 secs Computing kpt #: 113 total cpu time spent up to now is 194.9 secs Computing kpt #: 114 total cpu time spent up to now is 196.1 secs Computing kpt #: 115 total cpu time spent up to now is 197.4 secs Computing kpt #: 116 total cpu time spent up to now is 198.7 secs Computing kpt #: 117 total cpu time spent up to now is 199.9 secs Computing kpt #: 118 total cpu time spent up to now is 201.1 secs Computing kpt #: 119 total cpu time spent up to now is 202.3 secs Computing kpt #: 120 total cpu time spent up to now is 203.5 secs Computing kpt #: 121 total cpu time spent up to now is 204.8 secs Computing kpt #: 122 total cpu time spent up to now is 206.1 secs Computing kpt #: 123 total cpu time spent up to now is 207.3 secs Computing kpt #: 124 total cpu time spent up to now is 208.5 secs Computing kpt #: 125 total cpu time spent up to now is 209.8 secs Computing kpt #: 126 total cpu time spent up to now is 211.0 secs Computing kpt #: 127 total cpu time spent up to now is 212.3 secs Computing kpt #: 128 total cpu time spent up to now is 213.6 secs Computing kpt #: 129 total cpu time spent up to now is 214.9 secs Computing kpt #: 130 total cpu time spent up to now is 216.2 secs Computing kpt #: 131 total cpu time spent up to now is 217.5 secs Computing kpt #: 132 total cpu time spent up to now is 218.8 secs Computing kpt #: 133 total cpu time spent up to now is 220.1 secs Computing kpt #: 134 total cpu time spent up to now is 221.5 secs Computing kpt #: 135 total cpu time spent up to now is 222.9 secs Computing kpt #: 136 total cpu time spent up to now is 224.2 secs Computing kpt #: 137 total cpu time spent up to now is 225.6 secs Computing kpt #: 138 total cpu time spent up to now is 226.9 secs Computing kpt #: 139 total cpu time spent up to now is 228.1 secs Computing kpt #: 140 total cpu time spent up to now is 229.4 secs Computing kpt #: 141 total cpu time spent up to now is 230.6 secs Computing kpt #: 142 total cpu time spent up to now is 231.9 secs Computing kpt #: 143 total cpu time spent up to now is 233.3 secs Computing kpt #: 144 total cpu time spent up to now is 234.7 secs Computing kpt #: 145 total cpu time spent up to now is 235.9 secs Computing kpt #: 146 total cpu time spent up to now is 237.2 secs Computing kpt #: 147 total cpu time spent up to now is 238.5 secs Computing kpt #: 148 total cpu time spent up to now is 239.9 secs Computing kpt #: 149 total cpu time spent up to now is 241.3 secs Computing kpt #: 150 total cpu time spent up to now is 242.6 secs Computing kpt #: 151 total cpu time spent up to now is 243.8 secs Computing kpt #: 152 total cpu time spent up to now is 245.0 secs Computing kpt #: 153 total cpu time spent up to now is 246.3 secs Computing kpt #: 154 total cpu time spent up to now is 247.6 secs Computing kpt #: 155 total cpu time spent up to now is 248.8 secs Computing kpt #: 156 total cpu time spent up to now is 250.0 secs Computing kpt #: 157 total cpu time spent up to now is 251.2 secs Computing kpt #: 158 total cpu time spent up to now is 252.4 secs Computing kpt #: 159 total cpu time spent up to now is 253.7 secs Computing kpt #: 160 total cpu time spent up to now is 254.8 secs Computing kpt #: 161 total cpu time spent up to now is 256.0 secs Computing kpt #: 162 total cpu time spent up to now is 257.2 secs Computing kpt #: 163 total cpu time spent up to now is 258.4 secs Computing kpt #: 164 total cpu time spent up to now is 259.6 secs Computing kpt #: 165 total cpu time spent up to now is 260.8 secs Computing kpt #: 166 total cpu time spent up to now is 262.0 secs Computing kpt #: 167 total cpu time spent up to now is 263.2 secs Computing kpt #: 168 total cpu time spent up to now is 264.4 secs Computing kpt #: 169 total cpu time spent up to now is 265.6 secs Computing kpt #: 170 total cpu time spent up to now is 266.7 secs Computing kpt #: 171 total cpu time spent up to now is 267.8 secs Computing kpt #: 172 total cpu time spent up to now is 268.9 secs Computing kpt #: 173 total cpu time spent up to now is 270.0 secs Computing kpt #: 174 total cpu time spent up to now is 271.0 secs Computing kpt #: 175 total cpu time spent up to now is 272.1 secs Computing kpt #: 176 total cpu time spent up to now is 273.1 secs Computing kpt #: 177 total cpu time spent up to now is 274.2 secs Computing kpt #: 178 total cpu time spent up to now is 275.3 secs Computing kpt #: 179 total cpu time spent up to now is 276.4 secs Computing kpt #: 180 total cpu time spent up to now is 277.4 secs Computing kpt #: 181 total cpu time spent up to now is 278.4 secs Computing kpt #: 182 total cpu time spent up to now is 279.4 secs Computing kpt #: 183 total cpu time spent up to now is 280.4 secs Computing kpt #: 184 total cpu time spent up to now is 281.4 secs Computing kpt #: 185 total cpu time spent up to now is 282.5 secs Computing kpt #: 186 total cpu time spent up to now is 283.4 secs Computing kpt #: 187 total cpu time spent up to now is 284.4 secs Computing kpt #: 188 total cpu time spent up to now is 285.4 secs Computing kpt #: 189 total cpu time spent up to now is 286.3 secs Computing kpt #: 190 total cpu time spent up to now is 287.3 secs Computing kpt #: 191 total cpu time spent up to now is 288.4 secs Computing kpt #: 192 total cpu time spent up to now is 289.4 secs Computing kpt #: 193 total cpu time spent up to now is 290.4 secs Computing kpt #: 194 total cpu time spent up to now is 291.4 secs Computing kpt #: 195 total cpu time spent up to now is 292.4 secs Computing kpt #: 196 total cpu time spent up to now is 293.5 secs Computing kpt #: 197 total cpu time spent up to now is 294.7 secs Computing kpt #: 198 total cpu time spent up to now is 295.7 secs Computing kpt #: 199 total cpu time spent up to now is 296.8 secs Computing kpt #: 200 total cpu time spent up to now is 297.8 secs Computing kpt #: 201 total cpu time spent up to now is 298.9 secs Computing kpt #: 202 total cpu time spent up to now is 300.1 secs Computing kpt #: 203 total cpu time spent up to now is 301.3 secs Computing kpt #: 204 total cpu time spent up to now is 302.5 secs Computing kpt #: 205 total cpu time spent up to now is 303.7 secs Computing kpt #: 206 total cpu time spent up to now is 304.9 secs Computing kpt #: 207 total cpu time spent up to now is 306.2 secs Computing kpt #: 208 total cpu time spent up to now is 307.4 secs Computing kpt #: 209 total cpu time spent up to now is 308.7 secs Computing kpt #: 210 total cpu time spent up to now is 309.9 secs Computing kpt #: 211 total cpu time spent up to now is 311.1 secs Computing kpt #: 212 total cpu time spent up to now is 312.4 secs Computing kpt #: 213 total cpu time spent up to now is 313.6 secs Computing kpt #: 214 total cpu time spent up to now is 314.8 secs Computing kpt #: 215 total cpu time spent up to now is 316.0 secs Computing kpt #: 216 total cpu time spent up to now is 317.3 secs Computing kpt #: 217 total cpu time spent up to now is 318.5 secs Computing kpt #: 218 total cpu time spent up to now is 319.8 secs Computing kpt #: 219 total cpu time spent up to now is 321.0 secs Computing kpt #: 220 total cpu time spent up to now is 322.2 secs Computing kpt #: 221 total cpu time spent up to now is 323.5 secs Computing kpt #: 222 total cpu time spent up to now is 324.8 secs Computing kpt #: 223 total cpu time spent up to now is 326.0 secs Computing kpt #: 224 total cpu time spent up to now is 327.3 secs Computing kpt #: 225 total cpu time spent up to now is 328.5 secs Computing kpt #: 226 total cpu time spent up to now is 329.8 secs Computing kpt #: 227 total cpu time spent up to now is 331.1 secs Computing kpt #: 228 total cpu time spent up to now is 332.4 secs Computing kpt #: 229 total cpu time spent up to now is 333.6 secs Computing kpt #: 230 total cpu time spent up to now is 334.9 secs Computing kpt #: 231 total cpu time spent up to now is 336.2 secs Computing kpt #: 232 total cpu time spent up to now is 337.5 secs Computing kpt #: 233 total cpu time spent up to now is 338.7 secs Computing kpt #: 234 total cpu time spent up to now is 340.0 secs Computing kpt #: 235 total cpu time spent up to now is 341.3 secs Computing kpt #: 236 total cpu time spent up to now is 342.6 secs Computing kpt #: 237 total cpu time spent up to now is 343.8 secs Computing kpt #: 238 total cpu time spent up to now is 345.1 secs Computing kpt #: 239 total cpu time spent up to now is 346.3 secs Computing kpt #: 240 total cpu time spent up to now is 347.6 secs Computing kpt #: 241 total cpu time spent up to now is 348.9 secs Computing kpt #: 242 total cpu time spent up to now is 350.1 secs Computing kpt #: 243 total cpu time spent up to now is 351.3 secs Computing kpt #: 244 total cpu time spent up to now is 352.5 secs Computing kpt #: 245 total cpu time spent up to now is 353.8 secs Computing kpt #: 246 total cpu time spent up to now is 355.0 secs Computing kpt #: 247 total cpu time spent up to now is 356.2 secs Computing kpt #: 248 total cpu time spent up to now is 357.4 secs Computing kpt #: 249 total cpu time spent up to now is 358.6 secs Computing kpt #: 250 total cpu time spent up to now is 359.7 secs Computing kpt #: 251 total cpu time spent up to now is 360.8 secs Computing kpt #: 252 total cpu time spent up to now is 362.1 secs Computing kpt #: 253 total cpu time spent up to now is 363.2 secs Computing kpt #: 254 total cpu time spent up to now is 364.2 secs Computing kpt #: 255 total cpu time spent up to now is 365.5 secs Computing kpt #: 256 total cpu time spent up to now is 366.8 secs Computing kpt #: 257 total cpu time spent up to now is 368.0 secs Computing kpt #: 258 total cpu time spent up to now is 369.2 secs Computing kpt #: 259 total cpu time spent up to now is 370.5 secs Computing kpt #: 260 total cpu time spent up to now is 371.7 secs Computing kpt #: 261 total cpu time spent up to now is 373.0 secs Computing kpt #: 262 total cpu time spent up to now is 374.3 secs Computing kpt #: 263 total cpu time spent up to now is 375.6 secs Computing kpt #: 264 total cpu time spent up to now is 376.8 secs Computing kpt #: 265 total cpu time spent up to now is 378.2 secs Computing kpt #: 266 total cpu time spent up to now is 379.5 secs Computing kpt #: 267 total cpu time spent up to now is 380.4 secs Computing kpt #: 268 total cpu time spent up to now is 381.4 secs Computing kpt #: 269 total cpu time spent up to now is 382.4 secs Computing kpt #: 270 total cpu time spent up to now is 383.4 secs Computing kpt #: 271 total cpu time spent up to now is 384.5 secs Computing kpt #: 272 total cpu time spent up to now is 385.5 secs Computing kpt #: 273 total cpu time spent up to now is 386.5 secs Computing kpt #: 274 total cpu time spent up to now is 387.6 secs Computing kpt #: 275 total cpu time spent up to now is 388.6 secs Computing kpt #: 276 total cpu time spent up to now is 389.7 secs Computing kpt #: 277 total cpu time spent up to now is 390.8 secs Computing kpt #: 278 total cpu time spent up to now is 392.0 secs Computing kpt #: 279 total cpu time spent up to now is 393.2 secs Computing kpt #: 280 total cpu time spent up to now is 394.5 secs Computing kpt #: 281 total cpu time spent up to now is 395.8 secs Computing kpt #: 282 total cpu time spent up to now is 397.2 secs Computing kpt #: 283 total cpu time spent up to now is 398.5 secs Computing kpt #: 284 total cpu time spent up to now is 399.7 secs Computing kpt #: 285 total cpu time spent up to now is 401.0 secs Computing kpt #: 286 total cpu time spent up to now is 402.2 secs Computing kpt #: 287 total cpu time spent up to now is 403.5 secs Computing kpt #: 288 total cpu time spent up to now is 404.7 secs Computing kpt #: 289 total cpu time spent up to now is 406.0 secs Computing kpt #: 290 total cpu time spent up to now is 407.1 secs Computing kpt #: 291 total cpu time spent up to now is 409.3 secs Computing kpt #: 292 total cpu time spent up to now is 411.3 secs Computing kpt #: 293 total cpu time spent up to now is 413.7 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 416.7 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.6 secs Computing kpt #: 296 total cpu time spent up to now is 421.9 secs Computing kpt #: 297 total cpu time spent up to now is 424.0 secs Computing kpt #: 298 total cpu time spent up to now is 426.1 secs Computing kpt #: 299 total cpu time spent up to now is 428.1 secs Computing kpt #: 300 total cpu time spent up to now is 429.7 secs Computing kpt #: 301 total cpu time spent up to now is 431.2 secs Computing kpt #: 302 total cpu time spent up to now is 432.7 secs Computing kpt #: 303 total cpu time spent up to now is 434.0 secs Computing kpt #: 304 total cpu time spent up to now is 435.6 secs Computing kpt #: 305 total cpu time spent up to now is 437.1 secs Computing kpt #: 306 total cpu time spent up to now is 438.5 secs Computing kpt #: 307 total cpu time spent up to now is 440.1 secs Computing kpt #: 308 total cpu time spent up to now is 441.6 secs Computing kpt #: 309 total cpu time spent up to now is 443.1 secs Computing kpt #: 310 total cpu time spent up to now is 444.6 secs Computing kpt #: 311 total cpu time spent up to now is 445.9 secs Computing kpt #: 312 total cpu time spent up to now is 447.1 secs Computing kpt #: 313 total cpu time spent up to now is 448.3 secs Computing kpt #: 314 total cpu time spent up to now is 449.6 secs ethr = 2.78E-11, avg # of iterations = 26.4 total cpu time spent up to now is 449.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -6.2556 -6.2556 -5.3263 -5.3263 -1.3823 -1.3823 -1.3727 -1.3727 -1.3494 -1.3494 -1.1862 -1.1862 -1.1405 -1.1405 -1.0370 -1.0370 -0.9405 -0.9405 -0.9368 -0.9368 -0.8742 -0.8742 -0.7438 -0.7438 0.3535 0.3535 4.4767 4.4767 4.9877 4.9877 5.1078 5.1078 5.9846 5.9846 6.0345 6.0345 7.1820 7.1820 7.2980 7.2980 9.9357 9.9357 10.0091 10.0091 k = 0.0116 0.0067-0.0000 ( 3791 PWs) bands (ev): -6.2547 -6.2547 -5.3258 -5.3258 -1.3823 -1.3823 -1.3734 -1.3719 -1.3493 -1.3493 -1.1896 -1.1827 -1.1407 -1.1402 -1.0378 -1.0361 -0.9411 -0.9398 -0.9368 -0.9368 -0.8743 -0.8743 -0.7460 -0.7414 0.3518 0.3571 4.4612 4.4802 4.9767 4.9771 5.1036 5.1096 5.9714 5.9859 6.0229 6.0250 7.1954 7.1997 7.3001 7.3179 9.9349 9.9353 10.0082 10.0084 k = 0.0233 0.0134-0.0000 ( 3797 PWs) bands (ev): -6.2520 -6.2520 -5.3242 -5.3241 -1.3822 -1.3822 -1.3740 -1.3709 -1.3490 -1.3490 -1.1930 -1.1791 -1.1407 -1.1397 -1.0387 -1.0352 -0.9417 -0.9392 -0.9369 -0.9369 -0.8744 -0.8744 -0.7481 -0.7389 0.3519 0.3626 4.4332 4.4717 4.9457 4.9484 5.0956 5.1065 5.9369 5.9687 5.9988 6.0077 7.2382 7.2451 7.3238 7.3586 9.9309 9.9320 10.0074 10.0083 k = 0.0349 0.0201-0.0000 ( 3805 PWs) bands (ev): -6.2476 -6.2476 -5.3215 -5.3214 -1.3821 -1.3820 -1.3743 -1.3698 -1.3485 -1.3485 -1.1962 -1.1755 -1.1406 -1.1391 -1.0394 -1.0343 -0.9422 -0.9385 -0.9370 -0.9369 -0.8747 -0.8747 -0.7500 -0.7362 0.3539 0.3701 4.3922 4.4507 4.8994 4.9067 5.0809 5.0951 5.8784 5.9147 5.9865 5.9925 7.3043 7.3115 7.3674 7.4182 9.9203 9.9221 10.0113 10.0134 k = 0.0465 0.0269-0.0000 ( 3813 PWs) bands (ev): -6.2415 -6.2415 -5.3177 -5.3176 -1.3820 -1.3816 -1.3744 -1.3687 -1.3479 -1.3478 -1.1994 -1.1717 -1.1404 -1.1383 -1.0401 -1.0334 -0.9427 -0.9377 -0.9371 -0.9370 -0.8751 -0.8750 -0.7517 -0.7335 0.3577 0.3794 4.3378 4.4166 4.8428 4.8563 5.0572 5.0733 5.8057 5.8421 5.9754 5.9779 7.3865 7.3914 7.4285 7.4937 9.9017 9.9037 10.0229 10.0264 k = 0.0581 0.0336-0.0000 ( 3817 PWs) bands (ev): -6.2336 -6.2336 -5.3129 -5.3127 -1.3819 -1.3812 -1.3742 -1.3674 -1.3471 -1.3468 -1.2025 -1.1679 -1.1400 -1.1374 -1.0407 -1.0324 -0.9431 -0.9373 -0.9371 -0.9369 -0.8757 -0.8754 -0.7532 -0.7306 0.3632 0.3906 4.2700 4.3683 4.7803 4.8003 5.0230 5.0392 5.7282 5.7618 5.9616 5.9617 7.4774 7.4784 7.5048 7.5823 9.8774 9.8787 10.0421 10.0466 k = 0.0698 0.0403-0.0000 ( 3813 PWs) bands (ev): -6.2240 -6.2240 -5.3070 -5.3068 -1.3819 -1.3806 -1.3737 -1.3660 -1.3461 -1.3457 -1.2054 -1.1639 -1.1394 -1.1363 -1.0411 -1.0315 -0.9435 -0.9374 -0.9370 -0.9361 -0.8762 -0.8758 -0.7545 -0.7276 0.3704 0.4036 4.1894 4.3053 4.7156 4.7406 4.9773 4.9920 5.6522 5.6799 5.9431 5.9449 7.5680 7.5695 7.5954 7.6807 9.8504 9.8505 10.0676 10.0730 k = 0.0814 0.0470-0.0000 ( 3811 PWs) bands (ev): -6.2127 -6.2127 -5.3002 -5.3000 -1.3819 -1.3800 -1.3728 -1.3646 -1.3449 -1.3443 -1.2083 -1.1599 -1.1386 -1.1350 -1.0414 -1.0306 -0.9438 -0.9377 -0.9369 -0.9353 -0.8769 -0.8763 -0.7556 -0.7245 0.3791 0.4184 4.0972 4.2278 4.6507 4.6777 4.9199 4.9316 5.5820 5.6007 5.9219 5.9251 7.6567 7.6600 7.6959 7.7854 9.8220 9.8244 10.0984 10.1046 k = 0.0930 0.0537-0.0000 ( 3805 PWs) bands (ev): -6.1997 -6.1997 -5.2924 -5.2921 -1.3820 -1.3792 -1.3717 -1.3632 -1.3436 -1.3426 -1.2110 -1.1558 -1.1377 -1.1336 -1.0416 -1.0298 -0.9441 -0.9379 -0.9368 -0.9344 -0.8776 -0.8767 -0.7564 -0.7213 0.3893 0.4350 3.9954 4.1375 4.5858 4.6106 4.8514 4.8601 5.5193 5.5268 5.8980 5.9022 7.7423 7.7494 7.7997 7.8928 9.7964 9.8020 10.1336 10.1405 k = 0.1047 0.0604-0.0000 ( 3813 PWs) bands (ev): -6.1851 -6.1851 -5.2837 -5.2834 -1.3821 -1.3784 -1.3703 -1.3617 -1.3421 -1.3408 -1.2137 -1.1517 -1.1366 -1.1321 -1.0416 -1.0289 -0.9443 -0.9382 -0.9367 -0.9336 -0.8784 -0.8772 -0.7570 -0.7180 0.4009 0.4532 3.8858 4.0367 4.5195 4.5371 4.7740 4.7817 5.4592 5.4640 5.8713 5.8764 7.8231 7.8360 7.9031 7.9994 9.7764 9.7865 10.1727 10.1802 k = 0.1163 0.0671-0.0000 ( 3817 PWs) bands (ev): -6.1689 -6.1689 -5.2741 -5.2738 -1.3821 -1.3775 -1.3686 -1.3601 -1.3405 -1.3387 -1.2163 -1.1475 -1.1354 -1.1304 -1.0414 -1.0282 -0.9445 -0.9384 -0.9365 -0.9327 -0.8793 -0.8777 -0.7574 -0.7147 0.4136 0.4730 3.7704 3.9281 4.4488 4.4543 4.6913 4.7015 5.3976 5.4148 5.8421 5.8478 7.8974 7.9175 8.0035 8.1022 9.7649 9.7808 10.2150 10.2228 k = 0.1279 0.0738-0.0000 ( 3817 PWs) bands (ev): -6.1511 -6.1511 -5.2638 -5.2634 -1.3822 -1.3764 -1.3666 -1.3586 -1.3387 -1.3364 -1.2188 -1.1432 -1.1339 -1.1286 -1.0410 -1.0275 -0.9447 -0.9387 -0.9363 -0.9319 -0.8802 -0.8781 -0.7575 -0.7111 0.4275 0.4943 3.6508 3.8142 4.3600 4.3703 4.6083 4.6245 5.3409 5.3698 5.8102 5.8165 7.9639 7.9915 8.0989 8.1984 9.7645 9.7879 10.2597 10.2678 k = 0.1395 0.0806-0.0000 ( 3817 PWs) bands (ev): -6.1318 -6.1318 -5.2527 -5.2523 -1.3822 -1.3753 -1.3644 -1.3570 -1.3367 -1.3338 -1.2212 -1.1390 -1.1322 -1.1266 -1.0404 -1.0269 -0.9449 -0.9389 -0.9360 -0.9310 -0.8811 -0.8784 -0.7573 -0.7074 0.4422 0.5169 3.5286 3.6970 4.2541 4.2812 4.5294 4.5529 5.2877 5.3274 5.7759 5.7827 8.0212 8.0559 8.1877 8.2856 9.7771 9.8100 10.3061 10.3141 k = 0.1512 0.0873-0.0000 ( 3821 PWs) bands (ev): -6.1110 -6.1110 -5.2409 -5.2405 -1.3822 -1.3742 -1.3619 -1.3554 -1.3346 -1.3310 -1.2235 -1.1350 -1.1302 -1.1245 -1.0396 -1.0263 -0.9450 -0.9390 -0.9356 -0.9301 -0.8820 -0.8787 -0.7569 -0.7036 0.4577 0.5407 3.4050 3.5781 4.1386 4.1807 4.4570 4.4866 5.2369 5.2865 5.7392 5.7465 8.0683 8.1093 8.2688 8.3626 9.8043 9.8483 10.3535 10.3608 k = 0.1628 0.0940-0.0000 ( 3827 PWs) bands (ev): -6.0888 -6.0888 -5.2285 -5.2280 -1.3821 -1.3729 -1.3591 -1.3537 -1.3324 -1.3280 -1.2257 -1.1316 -1.1275 -1.1223 -1.0384 -1.0259 -0.9452 -0.9389 -0.9351 -0.9292 -0.8828 -0.8789 -0.7562 -0.6997 0.4736 0.5655 3.2811 3.4589 4.0163 4.0706 4.3909 4.4246 5.1873 5.2459 5.7004 5.7083 8.1047 8.1504 8.3418 8.4289 9.8460 9.9026 10.4008 10.4066 k = 0.1744 0.1007-0.0000 ( 3831 PWs) bands (ev): -6.0652 -6.0652 -5.2155 -5.2151 -1.3820 -1.3716 -1.3560 -1.3520 -1.3301 -1.3247 -1.2279 -1.1289 -1.1240 -1.1199 -1.0370 -1.0254 -0.9455 -0.9387 -0.9346 -0.9283 -0.8836 -0.8790 -0.7552 -0.6956 0.4897 0.5910 3.1579 3.3405 3.8893 3.9537 4.3296 4.3655 5.1383 5.2052 5.6596 5.6681 8.1301 8.1791 8.4066 8.4851 9.9009 9.9707 10.4469 10.4494 k = 0.1860 0.1074-0.0000 ( 3823 PWs) bands (ev): -6.0404 -6.0403 -5.2022 -5.2017 -1.3818 -1.3703 -1.3526 -1.3503 -1.3275 -1.3212 -1.2299 -1.1266 -1.1199 -1.1173 -1.0352 -1.0251 -0.9457 -0.9383 -0.9341 -0.9273 -0.8843 -0.8790 -0.7539 -0.6913 0.5057 0.6171 3.0364 3.2238 3.7596 3.8325 4.2716 4.3086 5.0891 5.1637 5.6170 5.6264 8.1451 8.1958 8.4638 8.5324 9.9663 10.0490 10.4851 10.4894 k = 0.1977 0.1141-0.0000 ( 3827 PWs) bands (ev): -6.0143 -6.0142 -5.1885 -5.1880 -1.3816 -1.3689 -1.3489 -1.3486 -1.3249 -1.3176 -1.2318 -1.1244 -1.1156 -1.1147 -1.0331 -1.0248 -0.9461 -0.9376 -0.9336 -0.9262 -0.8850 -0.8789 -0.7523 -0.6867 0.5214 0.6434 2.9173 3.1098 3.6284 3.7089 4.2160 4.2535 5.0394 5.1211 5.5730 5.5832 8.1507 8.2020 8.5136 8.5720 10.0381 10.1313 10.5070 10.5184 k = 0.2093 0.1208-0.0000 ( 3827 PWs) bands (ev): -5.9871 -5.9870 -5.1745 -5.1740 -1.3813 -1.3675 -1.3468 -1.3449 -1.3222 -1.3137 -1.2337 -1.1223 -1.1118 -1.1113 -1.0307 -1.0246 -0.9466 -0.9367 -0.9332 -0.9249 -0.8855 -0.8787 -0.7503 -0.6820 0.5363 0.6696 2.8014 2.9990 3.4965 3.5844 4.1622 4.1999 4.9889 5.0773 5.5277 5.5390 8.1481 8.1993 8.5565 8.6052 10.1109 10.2088 10.5178 10.5220 k = 0.2209 0.1276-0.0000 ( 3829 PWs) bands (ev): -5.9588 -5.9587 -5.1604 -5.1599 -1.3810 -1.3662 -1.3450 -1.3405 -1.3193 -1.3096 -1.2355 -1.1201 -1.1089 -1.1070 -1.0280 -1.0245 -0.9470 -0.9356 -0.9328 -0.9235 -0.8860 -0.8783 -0.7479 -0.6770 0.5500 0.6951 2.6897 2.8922 3.3649 3.4600 4.1100 4.1476 4.9374 5.0321 5.4816 5.4940 8.1391 8.1896 8.5931 8.6327 10.1776 10.2685 10.5211 10.5350 k = 0.2326 0.1343-0.0000 ( 3833 PWs) bands (ev): -5.9295 -5.9294 -5.1463 -5.1457 -1.3806 -1.3648 -1.3430 -1.3358 -1.3163 -1.3054 -1.2372 -1.1180 -1.1059 -1.1029 -1.0249 -1.0245 -0.9475 -0.9343 -0.9325 -0.9220 -0.8863 -0.8779 -0.7452 -0.6719 0.5622 0.7195 2.5828 2.7900 3.2340 3.3368 4.0592 4.0967 4.8847 4.9852 5.4349 5.4486 8.1251 8.1746 8.6235 8.6552 10.2300 10.2986 10.5289 10.5717 k = 0.2442 0.1410-0.0000 ( 3835 PWs) bands (ev): -5.8993 -5.8992 -5.1322 -5.1316 -1.3802 -1.3636 -1.3410 -1.3307 -1.3133 -1.3011 -1.2388 -1.1159 -1.1027 -1.0988 -1.0245 -1.0215 -0.9480 -0.9327 -0.9323 -0.9202 -0.8865 -0.8773 -0.7420 -0.6665 0.5724 0.7422 2.4819 2.6926 3.1044 3.2157 4.0098 4.0472 4.8308 4.9366 5.3881 5.4031 8.1074 8.1557 8.6483 8.6732 10.2604 10.3013 10.5518 10.6238 k = 0.2558 0.1477-0.0000 ( 3825 PWs) bands (ev): -5.8684 -5.8683 -5.1182 -5.1177 -1.3797 -1.3624 -1.3388 -1.3252 -1.3101 -1.2966 -1.2403 -1.1138 -1.0994 -1.0947 -1.0245 -1.0177 -0.9485 -0.9322 -0.9308 -0.9181 -0.8865 -0.8766 -0.7385 -0.6608 0.5802 0.7624 2.3877 2.6006 2.9764 3.0974 3.9618 3.9991 4.7757 4.8863 5.3415 5.3578 8.0872 8.1341 8.6679 8.6870 10.2683 10.2875 10.5891 10.6769 k = 0.2674 0.1544-0.0000 ( 3821 PWs) bands (ev): -5.8368 -5.8367 -5.1046 -5.1041 -1.3792 -1.3613 -1.3365 -1.3193 -1.3068 -1.2920 -1.2417 -1.1119 -1.0960 -1.0908 -1.0245 -1.0137 -0.9489 -0.9322 -0.9288 -0.9159 -0.8864 -0.8759 -0.7345 -0.6550 0.5852 0.7793 2.3013 2.5138 2.8505 2.9829 3.9152 3.9525 4.7194 4.8342 5.2955 5.3129 8.0654 8.1108 8.6827 8.6971 10.2596 10.2648 10.6346 10.7191 k = 0.2791 0.1611-0.0000 ( 3829 PWs) bands (ev): -5.8047 -5.8046 -5.0914 -5.0908 -1.3787 -1.3604 -1.3340 -1.3131 -1.3035 -1.2873 -1.2430 -1.1100 -1.0926 -1.0870 -1.0246 -1.0095 -0.9492 -0.9323 -0.9265 -0.9136 -0.8860 -0.8752 -0.7302 -0.6491 0.5870 0.7921 2.2238 2.4320 2.7270 2.8736 3.8703 3.9076 4.6620 4.7803 5.2505 5.2689 8.0428 8.0865 8.6931 8.7037 10.2373 10.2405 10.6825 10.7472 k = 0.2907 0.1678-0.0000 ( 3817 PWs) bands (ev): -5.7722 -5.7721 -5.0787 -5.0781 -1.3781 -1.3595 -1.3313 -1.3065 -1.3001 -1.2825 -1.2442 -1.1083 -1.0890 -1.0834 -1.0246 -1.0050 -0.9495 -0.9323 -0.9240 -0.9109 -0.8854 -0.8743 -0.7255 -0.6430 0.5854 0.8000 2.1560 2.3544 2.6065 2.7709 3.8269 3.8643 4.6036 4.7246 5.2068 5.2260 8.0199 8.0619 8.6998 8.7073 10.2069 10.2151 10.7285 10.7654 k = 0.3023 0.1745-0.0000 ( 3819 PWs) bands (ev): -5.7394 -5.7393 -5.0666 -5.0661 -1.3775 -1.3588 -1.3285 -1.2996 -1.2966 -1.2777 -1.2453 -1.1067 -1.0854 -1.0799 -1.0246 -1.0005 -0.9496 -0.9325 -0.9214 -0.9081 -0.8844 -0.8735 -0.7207 -0.6371 0.5804 0.8021 2.0984 2.2796 2.4896 2.6768 3.7853 3.8228 4.5443 4.6673 5.1647 5.1845 7.9971 8.0372 8.7030 8.7081 10.1749 10.1860 10.7629 10.7776 k = 0.3140 0.1813-0.0000 ( 3823 PWs) bands (ev): -5.7065 -5.7064 -5.0552 -5.0547 -1.3769 -1.3583 -1.3256 -1.2930 -1.2926 -1.2728 -1.2462 -1.1053 -1.0817 -1.0765 -1.0246 -0.9959 -0.9497 -0.9327 -0.9187 -0.9051 -0.8831 -0.8727 -0.7156 -0.6312 0.5721 0.7980 2.0512 2.2058 2.3772 2.5934 3.7456 3.7833 4.4844 4.6084 5.1245 5.1445 7.9748 8.0129 8.7035 8.7067 10.1420 10.1548 10.7775 10.7857 k = 0.3256 0.1880-0.0000 ( 3803 PWs) bands (ev): -5.6737 -5.6735 -5.0447 -5.0442 -1.3762 -1.3579 -1.3225 -1.2894 -1.2856 -1.2679 -1.2466 -1.1042 -1.0779 -1.0733 -1.0244 -0.9914 -0.9495 -0.9329 -0.9159 -0.9018 -0.8812 -0.8718 -0.7105 -0.6256 0.5608 0.7878 2.0128 2.1310 2.2712 2.5229 3.7078 3.7457 4.4241 4.5484 5.0863 5.1063 7.9533 7.9893 8.7016 8.7034 10.1090 10.1225 10.7841 10.7906 k = 0.3372 0.1947-0.0000 ( 3801 PWs) bands (ev): -5.6411 -5.6409 -5.0352 -5.0347 -1.3755 -1.3577 -1.3193 -1.2857 -1.2791 -1.2629 -1.2462 -1.1033 -1.0742 -1.0702 -1.0242 -0.9871 -0.9490 -0.9331 -0.9132 -0.8984 -0.8787 -0.8709 -0.7057 -0.6205 0.5469 0.7718 1.9788 2.0539 2.1761 2.4664 3.6721 3.7102 4.3639 4.4874 5.0504 5.0700 7.9327 7.9665 8.6977 8.6985 10.0764 10.0900 10.7872 10.7929 k = 0.3488 0.2014-0.0000 ( 3801 PWs) bands (ev): -5.6089 -5.6087 -5.0266 -5.0261 -1.3748 -1.3576 -1.3160 -1.2820 -1.2735 -1.2585 -1.2443 -1.1027 -1.0704 -1.0673 -1.0239 -0.9832 -0.9483 -0.9332 -0.9105 -0.8948 -0.8753 -0.8700 -0.7012 -0.6160 0.5313 0.7510 1.9377 1.9744 2.1030 2.4238 3.6386 3.6768 4.3040 4.4258 5.0167 5.0357 7.9131 7.9447 8.6924 8.6924 10.0446 10.0580 10.7881 10.7933 k = 0.3605 0.2081-0.0000 ( 3801 PWs) bands (ev): -5.5773 -5.5771 -5.0192 -5.0187 -1.3741 -1.3576 -1.3127 -1.2782 -1.2693 -1.2552 -1.2396 -1.1024 -1.0668 -1.0646 -1.0234 -0.9798 -0.9472 -0.9334 -0.9080 -0.8910 -0.8709 -0.8690 -0.6974 -0.6125 0.5149 0.7265 1.8756 1.8932 2.0652 2.3937 3.6074 3.6457 4.2450 4.3641 4.9855 5.0037 7.8947 7.9240 8.6855 8.6860 10.0142 10.0271 10.7874 10.7921 k = 0.3721 0.2148-0.0000 ( 3795 PWs) bands (ev): -5.5465 -5.5463 -5.0128 -5.0123 -1.3733 -1.3578 -1.3094 -1.2744 -1.2667 -1.2527 -1.2325 -1.1025 -1.0632 -1.0620 -1.0226 -0.9771 -0.9457 -0.9335 -0.9056 -0.8873 -0.8676 -0.8654 -0.6945 -0.6102 0.4985 0.6998 1.7968 1.8116 2.0569 2.3741 3.5786 3.6168 4.1873 4.3027 4.9568 4.9739 7.8776 7.9046 8.6781 8.6789 9.9855 9.9976 10.7854 10.7898 k = 0.3837 0.2215-0.0000 ( 3795 PWs) bands (ev): -5.5168 -5.5166 -5.0076 -5.0072 -1.3725 -1.3580 -1.3061 -1.2707 -1.2656 -1.2504 -1.2238 -1.1029 -1.0598 -1.0596 -1.0216 -0.9753 -0.9439 -0.9336 -0.9034 -0.8838 -0.8657 -0.8586 -0.6929 -0.6094 0.4832 0.6724 1.7134 1.7313 2.0654 2.3627 3.5523 3.5903 4.1315 4.2421 4.9306 4.9464 7.8619 7.8865 8.6704 8.6715 9.9586 9.9699 10.7827 10.7866 k = 0.3953 0.2283-0.0000 ( 3799 PWs) bands (ev): -5.4884 -5.4882 -5.0036 -5.0032 -1.3718 -1.3584 -1.3029 -1.2669 -1.2655 -1.2480 -1.2144 -1.1037 -1.0574 -1.0567 -1.0201 -0.9743 -0.9419 -0.9336 -0.9012 -0.8810 -0.8627 -0.8506 -0.6927 -0.6103 0.4699 0.6455 1.6315 1.6533 2.0834 2.3576 3.5287 3.5661 4.0782 4.1829 4.9069 4.9214 7.8476 7.8698 8.6628 8.6639 9.9339 9.9443 10.7794 10.7829 k = 0.4070 0.2350-0.0000 ( 3799 PWs) bands (ev): -5.4616 -5.4614 -5.0007 -5.0002 -1.3709 -1.3588 -1.2998 -1.2660 -1.2633 -1.2458 -1.2045 -1.1050 -1.0555 -1.0539 -1.0182 -0.9740 -0.9400 -0.9337 -0.8991 -0.8790 -0.8584 -0.8413 -0.6940 -0.6131 0.4594 0.6202 1.5537 1.5790 2.1075 2.3567 3.5080 3.5443 4.0282 4.1257 4.8857 4.8988 7.8348 7.8546 8.6553 8.6565 9.9116 9.9209 10.7758 10.7789 k = 0.4186 0.2417-0.0000 ( 3813 PWs) bands (ev): -5.4368 -5.4365 -4.9987 -4.9984 -1.3701 -1.3594 -1.2968 -1.2670 -1.2598 -1.2439 -1.1945 -1.1068 -1.0537 -1.0516 -1.0158 -0.9743 -0.9382 -0.9337 -0.8970 -0.8780 -0.8527 -0.8308 -0.6971 -0.6180 0.4522 0.5972 1.4816 1.5091 2.1355 2.3584 3.4901 3.5249 3.9821 4.0712 4.8671 4.8787 7.8236 7.8409 8.6483 8.6494 9.8917 9.8999 10.7722 10.7749 k = 0.4302 0.2484-0.0000 ( 3805 PWs) bands (ev): -5.4141 -5.4139 -4.9977 -4.9974 -1.3693 -1.3599 -1.2938 -1.2682 -1.2564 -1.2423 -1.1846 -1.1090 -1.0521 -1.0497 -1.0129 -0.9752 -0.9367 -0.9336 -0.8948 -0.8776 -0.8457 -0.8193 -0.7017 -0.6251 0.4487 0.5767 1.4164 1.4448 2.1656 2.3609 3.4754 3.5078 3.9407 4.0203 4.8511 4.8611 7.8139 7.8287 8.6420 8.6430 9.8744 9.8815 10.7687 10.7711 k = 0.4419 0.2551-0.0000 ( 3801 PWs) bands (ev): -5.3940 -5.3938 -4.9974 -4.9971 -1.3685 -1.3606 -1.2910 -1.2696 -1.2532 -1.2412 -1.1749 -1.1117 -1.0507 -1.0482 -1.0095 -0.9766 -0.9354 -0.9335 -0.8926 -0.8778 -0.8377 -0.8072 -0.7073 -0.6342 0.4490 0.5588 1.3594 1.3871 2.1967 2.3629 3.4637 3.4930 3.9049 3.9736 4.8376 4.8460 7.8058 7.8182 8.6363 8.6372 9.8598 9.8657 10.7656 10.7675 k = 0.4535 0.2618-0.0000 ( 3803 PWs) bands (ev): -5.3769 -5.3767 -4.9977 -4.9974 -1.3676 -1.3612 -1.2883 -1.2712 -1.2503 -1.2404 -1.1656 -1.1151 -1.0494 -1.0472 -1.0058 -0.9785 -0.9345 -0.9334 -0.8906 -0.8783 -0.8287 -0.7955 -0.7132 -0.6453 0.4528 0.5432 1.3115 1.3367 2.2274 2.3629 3.4553 3.4804 3.8756 3.9322 4.8268 4.8335 7.7994 7.8093 8.6316 8.6323 9.8479 9.8527 10.7628 10.7644 k = 0.4651 0.2685-0.0000 ( 3799 PWs) bands (ev): -5.3630 -5.3629 -4.9982 -4.9980 -1.3668 -1.3620 -1.2857 -1.2729 -1.2477 -1.2401 -1.1569 -1.1190 -1.0484 -1.0466 -1.0018 -0.9808 -0.9339 -0.9333 -0.8885 -0.8791 -0.8190 -0.7859 -0.7174 -0.6579 0.4597 0.5292 1.2739 1.2950 2.2566 2.3600 3.4499 3.4698 3.8534 3.8970 4.8185 4.8236 7.7947 7.8021 8.6278 8.6284 9.8387 9.8423 10.7607 10.7618 k = 0.4767 0.2752-0.0000 ( 3810 PWs) bands (ev): -5.3528 -5.3527 -4.9988 -4.9986 -1.3660 -1.3627 -1.2833 -1.2747 -1.2454 -1.2403 -1.1489 -1.1235 -1.0476 -1.0463 -0.9978 -0.9836 -0.9335 -0.9333 -0.8866 -0.8802 -0.8089 -0.7811 -0.7173 -0.6717 0.4690 0.5163 1.2476 1.2628 2.2835 2.3533 3.4474 3.4613 3.8392 3.8688 4.8128 4.8162 7.7916 7.7966 8.6251 8.6255 9.8323 9.8347 10.7591 10.7599 k = 0.4884 0.2820-0.0000 ( 3796 PWs) bands (ev): -5.3466 -5.3465 -4.9992 -4.9991 -1.3651 -1.3635 -1.2809 -1.2766 -1.2435 -1.2409 -1.1414 -1.1288 -1.0469 -1.0463 -0.9939 -0.9866 -0.9333 -0.9332 -0.8847 -0.8815 -0.7987 -0.7828 -0.7108 -0.6859 0.4798 0.5038 1.2333 1.2412 2.3071 2.3423 3.4475 3.4547 3.8335 3.8484 4.8098 4.8115 7.7903 7.7927 8.6235 8.6237 9.8287 9.8299 10.7582 10.7586 k = 0.5000 0.2887-0.0000 ( 3786 PWs) bands (ev): -5.3445 -5.3445 -4.9993 -4.9993 -1.3643 -1.3643 -1.2787 -1.2787 -1.2420 -1.2420 -1.1347 -1.1347 -1.0465 -1.0465 -0.9901 -0.9901 -0.9332 -0.9332 -0.8830 -0.8830 -0.7895 -0.7895 -0.6995 -0.6995 0.4916 0.4916 1.2312 1.2312 2.3269 2.3269 3.4500 3.4500 3.8366 3.8366 4.8093 4.8093 7.7907 7.7907 8.6230 8.6230 9.8279 9.8279 10.7581 10.7581 k = 0.5000 0.2887-0.0000 ( 3786 PWs) bands (ev): -5.3445 -5.3445 -4.9993 -4.9993 -1.3643 -1.3643 -1.2787 -1.2787 -1.2420 -1.2420 -1.1347 -1.1347 -1.0465 -1.0465 -0.9901 -0.9901 -0.9332 -0.9332 -0.8830 -0.8830 -0.7895 -0.7895 -0.6995 -0.6995 0.4916 0.4916 1.2312 1.2312 2.3269 2.3269 3.4500 3.4500 3.8366 3.8366 4.8093 4.8093 7.7907 7.7907 8.6230 8.6230 9.8279 9.8279 10.7581 10.7581 k = 0.4933 0.3002-0.0000 ( 3792 PWs) bands (ev): -5.3439 -5.3439 -4.9993 -4.9993 -1.3657 -1.3627 -1.2796 -1.2777 -1.2441 -1.2396 -1.1398 -1.1296 -1.0471 -1.0459 -0.9921 -0.9878 -0.9336 -0.9327 -0.8843 -0.8818 -0.7900 -0.7890 -0.7000 -0.6986 0.4903 0.4946 1.2308 1.2320 2.3194 2.3355 3.4321 3.4566 3.8321 3.8389 4.8024 4.8027 7.7934 7.8083 8.6280 8.6368 9.8069 9.8330 10.7463 10.7778 k = 0.4867 0.3118-0.0000 ( 3800 PWs) bands (ev): -5.3423 -5.3422 -4.9993 -4.9993 -1.3670 -1.3610 -1.2806 -1.2768 -1.2462 -1.2372 -1.1447 -1.1244 -1.0478 -1.0455 -0.9940 -0.9854 -0.9338 -0.9320 -0.8856 -0.8806 -0.7905 -0.7886 -0.7002 -0.6974 0.4907 0.4993 1.2308 1.2331 2.3127 2.3452 3.4029 3.4521 3.8257 3.8390 4.7822 4.7827 7.8163 7.8458 8.6512 8.6690 9.7719 9.8213 10.7446 10.8033 k = 0.4800 0.3233-0.0000 ( 3794 PWs) bands (ev): -5.3395 -5.3395 -4.9993 -4.9992 -1.3680 -1.3591 -1.2815 -1.2758 -1.2480 -1.2345 -1.1494 -1.1193 -1.0484 -1.0451 -0.9956 -0.9827 -0.9338 -0.9312 -0.8870 -0.8796 -0.7910 -0.7882 -0.6999 -0.6957 0.4928 0.5057 1.2311 1.2345 2.3067 2.3562 3.3630 3.4374 3.8173 3.8369 4.7495 4.7502 7.8589 7.9027 8.6917 8.7189 9.7255 9.7933 10.7538 10.8327 k = 0.4733 0.3349-0.0000 ( 3782 PWs) bands (ev): -5.3357 -5.3356 -4.9993 -4.9992 -1.3689 -1.3570 -1.2823 -1.2748 -1.2496 -1.2317 -1.1540 -1.1142 -1.0491 -1.0447 -0.9969 -0.9797 -0.9337 -0.9302 -0.8883 -0.8786 -0.7915 -0.7879 -0.6993 -0.6937 0.4965 0.5138 1.2317 1.2361 2.3010 2.3685 3.3134 3.4135 3.8069 3.8326 4.7055 4.7065 7.9202 7.9777 8.7477 8.7851 9.6702 9.7509 10.7742 10.8646 k = 0.4667 0.3464-0.0000 ( 3782 PWs) bands (ev): -5.3308 -5.3307 -4.9993 -4.9992 -1.3696 -1.3550 -1.2831 -1.2739 -1.2511 -1.2289 -1.1583 -1.1092 -1.0497 -1.0445 -0.9981 -0.9766 -0.9334 -0.9292 -0.8896 -0.8777 -0.7920 -0.7876 -0.6985 -0.6913 0.5019 0.5236 1.2325 1.2379 2.2951 2.3819 3.2554 3.3821 3.7946 3.8259 4.6517 4.6531 7.9990 8.0697 8.8173 8.8657 9.6083 9.6971 10.8050 10.8988 k = 0.4600 0.3580-0.0000 ( 3786 PWs) bands (ev): -5.3248 -5.3248 -4.9993 -4.9993 -1.3701 -1.3529 -1.2837 -1.2729 -1.2525 -1.2259 -1.1623 -1.1045 -1.0501 -1.0444 -0.9991 -0.9733 -0.9330 -0.9280 -0.8909 -0.8769 -0.7924 -0.7873 -0.6974 -0.6887 0.5088 0.5352 1.2334 1.2398 2.2886 2.3963 3.1906 3.3449 3.7802 3.8170 4.5899 4.5917 8.0938 8.1772 8.8979 8.9585 9.5421 9.6351 10.8455 10.9353 k = 0.4533 0.3695-0.0000 ( 3790 PWs) bands (ev): -5.3179 -5.3178 -4.9995 -4.9994 -1.3705 -1.3508 -1.2842 -1.2720 -1.2536 -1.2230 -1.1660 -1.1002 -1.0504 -1.0443 -0.9999 -0.9698 -0.9325 -0.9268 -0.8921 -0.8763 -0.7927 -0.7870 -0.6961 -0.6857 0.5173 0.5485 1.2343 1.2416 2.2809 2.4114 3.1208 3.3039 3.7636 3.8057 4.5219 4.5242 8.2028 8.2987 8.9866 9.0605 9.4740 9.5685 10.8952 10.9750 k = 0.4467 0.3811-0.0000 ( 3780 PWs) bands (ev): -5.3100 -5.3099 -4.9998 -4.9997 -1.3706 -1.3488 -1.2845 -1.2711 -1.2546 -1.2202 -1.1692 -1.0965 -1.0503 -1.0442 -1.0004 -0.9662 -0.9318 -0.9255 -0.8932 -0.8758 -0.7927 -0.7866 -0.6946 -0.6825 0.5274 0.5636 1.2351 1.2432 2.2713 2.4265 3.0479 3.2613 3.7448 3.7919 4.4493 4.4524 8.3244 8.4328 9.0791 9.1665 9.4085 9.5017 10.9537 11.0186 k = 0.4400 0.3926-0.0000 ( 3776 PWs) bands (ev): -5.3011 -5.3010 -5.0003 -5.0002 -1.3706 -1.3469 -1.2845 -1.2702 -1.2555 -1.2176 -1.1718 -1.0935 -1.0499 -1.0442 -1.0007 -0.9625 -0.9310 -0.9243 -0.8942 -0.8753 -0.7926 -0.7861 -0.6931 -0.6791 0.5389 0.5805 1.2356 1.2444 2.2590 2.4406 2.9744 3.2191 3.7235 3.7754 4.3739 4.3781 8.4565 8.5778 9.1664 9.2501 9.3709 9.4434 11.0211 11.0672 k = 0.4333 0.4041-0.0000 ( 3768 PWs) bands (ev): -5.2914 -5.2913 -5.0010 -5.0009 -1.3704 -1.3453 -1.2842 -1.2693 -1.2563 -1.2153 -1.1738 -1.0913 -1.0489 -1.0443 -1.0008 -0.9587 -0.9301 -0.9230 -0.8950 -0.8750 -0.7923 -0.7855 -0.6916 -0.6756 0.5518 0.5990 1.2356 1.2450 2.2434 2.4519 2.9034 3.1796 3.6996 3.7561 4.2974 4.3029 8.5972 8.7323 9.2205 9.2293 9.4214 9.4421 11.0977 11.1217 k = 0.4267 0.4157-0.0000 ( 3772 PWs) bands (ev): -5.2808 -5.2807 -5.0021 -5.0019 -1.3701 -1.3439 -1.2836 -1.2685 -1.2569 -1.2136 -1.1749 -1.0901 -1.0475 -1.0443 -1.0006 -0.9549 -0.9291 -0.9218 -0.8955 -0.8749 -0.7917 -0.7847 -0.6902 -0.6720 0.5661 0.6193 1.2350 1.2448 2.2238 2.4568 2.8396 3.1445 3.6730 3.7338 4.2210 4.2283 8.7439 8.8944 9.1682 9.2047 9.4723 9.5570 11.1832 11.1835 k = 0.4200 0.4272-0.0000 ( 3772 PWs) bands (ev): -5.2695 -5.2694 -5.0035 -5.0033 -1.3696 -1.3428 -1.2826 -1.2677 -1.2575 -1.2125 -1.1750 -1.0897 -1.0456 -1.0444 -1.0001 -0.9511 -0.9281 -0.9206 -0.8958 -0.8748 -0.7908 -0.7838 -0.6890 -0.6684 0.5816 0.6412 1.2335 1.2435 2.1999 2.4501 2.7894 3.1153 3.6437 3.7084 4.1462 4.1558 8.8925 9.0549 9.1117 9.1542 9.5625 9.6767 11.2524 11.2790 k = 0.4133 0.4388-0.0000 ( 3778 PWs) bands (ev): -5.2575 -5.2573 -5.0053 -5.0051 -1.3689 -1.3421 -1.2813 -1.2669 -1.2579 -1.2122 -1.1741 -1.0902 -1.0444 -1.0436 -0.9994 -0.9474 -0.9270 -0.9196 -0.8958 -0.8749 -0.7896 -0.7825 -0.6880 -0.6649 0.5983 0.6648 1.2309 1.2409 2.1718 2.4262 2.7591 3.0932 3.6117 3.6800 4.0739 4.0863 9.0187 9.0346 9.1199 9.2427 9.6625 9.7948 11.3300 11.3838 k = 0.4067 0.4503-0.0000 ( 3782 PWs) bands (ev): -5.2448 -5.2446 -5.0077 -5.0075 -1.3681 -1.3417 -1.2796 -1.2662 -1.2582 -1.2126 -1.1723 -1.0914 -1.0444 -1.0417 -0.9983 -0.9438 -0.9258 -0.9188 -0.8955 -0.8751 -0.7880 -0.7810 -0.6874 -0.6615 0.6160 0.6900 1.2270 1.2368 2.1398 2.3845 2.7504 3.0785 3.5771 3.6487 4.0051 4.0207 8.9750 9.0068 9.2228 9.4193 9.7649 9.9084 11.4160 11.4976 k = 0.4000 0.4619-0.0000 ( 3778 PWs) bands (ev): -5.2316 -5.2314 -5.0106 -5.0104 -1.3672 -1.3417 -1.2775 -1.2655 -1.2584 -1.2134 -1.1696 -1.0931 -1.0444 -1.0399 -0.9970 -0.9404 -0.9246 -0.9181 -0.8947 -0.8753 -0.7860 -0.7791 -0.6872 -0.6584 0.6345 0.7167 1.2215 1.2309 2.1049 2.3300 2.7590 3.0713 3.5405 3.6154 3.9403 3.9595 8.9184 8.9522 9.3663 9.5979 9.8679 10.0156 11.5095 11.6194 k = 0.3933 0.4734-0.0000 ( 3786 PWs) bands (ev): -5.2179 -5.2177 -5.0142 -5.0139 -1.3662 -1.3420 -1.2752 -1.2649 -1.2586 -1.2147 -1.1663 -1.0953 -1.0443 -1.0384 -0.9955 -0.9373 -0.9234 -0.9175 -0.8937 -0.8755 -0.7835 -0.7769 -0.6877 -0.6555 0.6536 0.7448 1.2143 1.2231 2.0684 2.2694 2.7789 3.0712 3.5022 3.5807 3.8799 3.9025 8.8660 8.8975 9.5048 9.7753 9.9716 10.1150 11.6077 11.7473 k = 0.3867 0.4850-0.0000 ( 3794 PWs) bands (ev): -5.2038 -5.2036 -5.0185 -5.0182 -1.3651 -1.3427 -1.2727 -1.2644 -1.2586 -1.2161 -1.1625 -1.0978 -1.0441 -1.0373 -0.9938 -0.9345 -0.9222 -0.9171 -0.8923 -0.8759 -0.7806 -0.7742 -0.6888 -0.6531 0.6732 0.7741 1.2052 1.2131 2.0316 2.2074 2.8060 3.0775 3.4631 3.5460 3.8239 3.8495 8.8184 8.8465 9.6308 9.9479 10.0764 10.2059 11.7025 11.8694 k = 0.3800 0.4965-0.0000 ( 3802 PWs) bands (ev): -5.1894 -5.1892 -5.0236 -5.0233 -1.3639 -1.3435 -1.2702 -1.2640 -1.2586 -1.2175 -1.1584 -1.1006 -1.0439 -1.0366 -0.9921 -0.9321 -0.9209 -0.9168 -0.8907 -0.8763 -0.7771 -0.7711 -0.6908 -0.6512 0.6928 0.8046 1.1942 1.2008 1.9961 2.1469 2.8380 3.0892 3.4239 3.5125 3.7726 3.8000 8.7760 8.8003 9.7402 10.1112 10.1818 10.2883 11.7760 11.9046 k = 0.3733 0.5081-0.0000 ( 3788 PWs) bands (ev): -5.1748 -5.1745 -5.0296 -5.0293 -1.3626 -1.3446 -1.2676 -1.2636 -1.2585 -1.2188 -1.1541 -1.1037 -1.0435 -1.0362 -0.9904 -0.9300 -0.9197 -0.9165 -0.8889 -0.8767 -0.7731 -0.7674 -0.6935 -0.6498 0.7122 0.8360 1.1811 1.1863 1.9633 2.0901 2.8733 3.1053 3.3853 3.4816 3.7259 3.7537 8.7392 8.7595 9.8313 10.2590 10.2845 10.3626 11.8251 11.9410 k = 0.3667 0.5196-0.0000 ( 3792 PWs) bands (ev): -5.1601 -5.1598 -5.0366 -5.0363 -1.3612 -1.3458 -1.2653 -1.2632 -1.2585 -1.2201 -1.1496 -1.1071 -1.0431 -1.0362 -0.9889 -0.9282 -0.9186 -0.9164 -0.8871 -0.8772 -0.7686 -0.7633 -0.6973 -0.6491 0.7309 0.8679 1.1663 1.1696 1.9347 2.0383 2.9108 3.1246 3.3476 3.4545 3.6841 3.7103 8.7079 8.7244 9.9047 10.3792 10.3822 10.4317 11.8762 11.9966 k = 0.3600 0.5312-0.0000 ( 3778 PWs) bands (ev): -5.1453 -5.1450 -5.0446 -5.0443 -1.3597 -1.3472 -1.2631 -1.2629 -1.2584 -1.2211 -1.1451 -1.1106 -1.0425 -1.0364 -0.9875 -0.9268 -0.9176 -0.9162 -0.8852 -0.8776 -0.7637 -0.7587 -0.7021 -0.6489 0.7484 0.8999 1.1501 1.1511 1.9114 1.9926 2.9497 3.1458 3.3111 3.4319 3.6479 3.6701 8.6826 8.6953 9.9619 10.4604 10.4655 10.5049 11.9470 12.0751 k = 0.3533 0.5427-0.0000 ( 3782 PWs) bands (ev): -5.1307 -5.1304 -5.0537 -5.0534 -1.3582 -1.3487 -1.2627 -1.2613 -1.2584 -1.2219 -1.1405 -1.1144 -1.0419 -1.0368 -0.9865 -0.9258 -0.9168 -0.9161 -0.8836 -0.8782 -0.7585 -0.7538 -0.7079 -0.6492 0.7640 0.9314 1.1314 1.1334 1.8944 1.9539 2.9889 3.1670 3.2759 3.4144 3.6181 3.6343 8.6631 8.6723 10.0046 10.5182 10.5243 10.5691 12.0436 12.1782 k = 0.3467 0.5543-0.0000 ( 3782 PWs) bands (ev): -5.1162 -5.1159 -5.0640 -5.0637 -1.3566 -1.3502 -1.2625 -1.2600 -1.2584 -1.2224 -1.1359 -1.1183 -1.0411 -1.0375 -0.9858 -0.9250 -0.9163 -0.9160 -0.8821 -0.8788 -0.7533 -0.7488 -0.7145 -0.6499 0.7767 0.9607 1.1121 1.1172 1.8844 1.9231 3.0265 3.1858 3.2428 3.4020 3.5957 3.6047 8.6496 8.6555 10.0341 10.5577 10.5693 10.6068 12.1642 12.3046 k = 0.3400 0.5658-0.0000 ( 3782 PWs) bands (ev): -5.1021 -5.1018 -5.0755 -5.0752 -1.3550 -1.3518 -1.2623 -1.2591 -1.2585 -1.2226 -1.1313 -1.1225 -1.0402 -1.0383 -0.9853 -0.9245 -0.9160 -0.9160 -0.8809 -0.8794 -0.7484 -0.7446 -0.7210 -0.6506 0.7852 0.9843 1.0968 1.1034 1.8819 1.9006 3.0579 3.1993 3.2152 3.3945 3.5818 3.5846 8.6421 8.6449 10.0512 10.5873 10.5965 10.6181 12.2920 12.4324 k = 0.3333 0.5774-0.0000 ( 3786 PWs) bands (ev): -5.0888 -5.0881 -5.0880 -5.0880 -1.3534 -1.3534 -1.2623 -1.2587 -1.2587 -1.2227 -1.1268 -1.1268 -1.0393 -1.0393 -0.9852 -0.9244 -0.9159 -0.9159 -0.8801 -0.8801 -0.7444 -0.7444 -0.7242 -0.6509 0.7884 0.9941 1.0940 1.0940 1.8871 1.8871 3.0719 3.2036 3.2036 3.3919 3.5772 3.5772 8.6405 8.6405 10.0568 10.6067 10.6081 10.6081 12.3494 12.5042 k = 0.3333 0.5774-0.0000 ( 3786 PWs) bands (ev): -5.0888 -5.0881 -5.0880 -5.0880 -1.3534 -1.3534 -1.2623 -1.2587 -1.2587 -1.2227 -1.1268 -1.1268 -1.0393 -1.0393 -0.9852 -0.9244 -0.9159 -0.9159 -0.8801 -0.8801 -0.7444 -0.7444 -0.7242 -0.6509 0.7884 0.9941 1.0940 1.0940 1.8871 1.8871 3.0719 3.2036 3.2036 3.3919 3.5772 3.5772 8.6405 8.6405 10.0568 10.6067 10.6081 10.6081 12.3494 12.5042 k = 0.3267 0.5658-0.0000 ( 3784 PWs) bands (ev): -5.1025 -5.1022 -5.0752 -5.0748 -1.3551 -1.3518 -1.2624 -1.2589 -1.2587 -1.2227 -1.1314 -1.1225 -1.0403 -1.0382 -0.9853 -0.9245 -0.9161 -0.9158 -0.8808 -0.8796 -0.7510 -0.7418 -0.7213 -0.6504 0.7850 0.9851 1.0910 1.1092 1.8826 1.8999 3.0574 3.1958 3.2185 3.3950 3.5821 3.5845 8.6422 8.6448 10.0515 10.5800 10.6067 10.6175 12.3227 12.3999 k = 0.3200 0.5543-0.0000 ( 3780 PWs) bands (ev): -5.1181 -5.1177 -5.0626 -5.0622 -1.3567 -1.3502 -1.2627 -1.2591 -1.2590 -1.2226 -1.1361 -1.1182 -1.0415 -1.0371 -0.9857 -0.9250 -0.9164 -0.9158 -0.8815 -0.8794 -0.7614 -0.7412 -0.7154 -0.6485 0.7748 0.9648 1.0956 1.1355 1.8873 1.9201 3.0233 3.1752 3.2509 3.4049 3.5966 3.6055 8.6499 8.6548 10.0361 10.5398 10.5946 10.6178 12.2575 12.2861 k = 0.3133 0.5427-0.0000 ( 3786 PWs) bands (ev): -5.1350 -5.1347 -5.0507 -5.0504 -1.3583 -1.3486 -1.2632 -1.2599 -1.2590 -1.2227 -1.1410 -1.1141 -1.0428 -1.0359 -0.9865 -0.9259 -0.9171 -0.9158 -0.8823 -0.8797 -0.7735 -0.7430 -0.7085 -0.6449 0.7586 0.9401 1.1080 1.1668 1.9007 1.9474 2.9804 3.1443 3.2904 3.4216 3.6199 3.6376 8.6636 8.6703 10.0116 10.4902 10.5732 10.6082 12.1573 12.1687 k = 0.3067 0.5312-0.0000 ( 3789 PWs) bands (ev): -5.1534 -5.1530 -5.0397 -5.0393 -1.3598 -1.3471 -1.2642 -1.2609 -1.2590 -1.2230 -1.1462 -1.1103 -1.0441 -1.0348 -0.9874 -0.9271 -0.9179 -0.9158 -0.8830 -0.8803 -0.7864 -0.7470 -0.7013 -0.6397 0.7380 0.9143 1.1278 1.2008 1.9225 1.9813 2.9335 3.1062 3.3330 3.4446 3.6515 3.6781 8.6829 8.6914 9.9791 10.4335 10.5439 10.5890 12.0406 12.0504 k = 0.3000 0.5196-0.0000 ( 3787 PWs) bands (ev): -5.1731 -5.1728 -5.0296 -5.0292 -1.3614 -1.3455 -1.2654 -1.2622 -1.2588 -1.2235 -1.1515 -1.1067 -1.0456 -1.0337 -0.9887 -0.9287 -0.9190 -0.9159 -0.8837 -0.8812 -0.7998 -0.7529 -0.6942 -0.6334 0.7148 0.8889 1.1542 1.2371 1.9518 2.0212 2.8846 3.0635 3.3775 3.4731 3.6902 3.7247 8.7078 8.7177 9.9397 10.3718 10.5076 10.5609 11.9198 11.9323 k = 0.2933 0.5081-0.0000 ( 3785 PWs) bands (ev): -5.1943 -5.1939 -5.0205 -5.0201 -1.3628 -1.3441 -1.2669 -1.2636 -1.2585 -1.2245 -1.1571 -1.1033 -1.0470 -1.0327 -0.9902 -0.9306 -0.9204 -0.9160 -0.8843 -0.8825 -0.8134 -0.7602 -0.6873 -0.6264 0.6907 0.8650 1.1864 1.2758 1.9877 2.0668 2.8351 3.0181 3.4236 3.5064 3.7351 3.7760 8.7381 8.7490 9.8945 10.3062 10.4650 10.5248 11.7989 11.8151 k = 0.2867 0.4965-0.0000 ( 3781 PWs) bands (ev): -5.2168 -5.2165 -5.0125 -5.0120 -1.3642 -1.3427 -1.2687 -1.2652 -1.2581 -1.2258 -1.1628 -1.1002 -1.0486 -1.0318 -0.9919 -0.9328 -0.9221 -0.9161 -0.8849 -0.8841 -0.8267 -0.7684 -0.6809 -0.6192 0.6670 0.8432 1.2239 1.3171 2.0291 2.1175 2.7861 2.9714 3.4715 3.5441 3.7851 3.8310 8.7735 8.7851 9.8448 10.2380 10.4169 10.4817 11.6791 11.6994 k = 0.2800 0.4850-0.0000 ( 3781 PWs) bands (ev): -5.2407 -5.2404 -5.0056 -5.0052 -1.3656 -1.3414 -1.2708 -1.2669 -1.2577 -1.2277 -1.1688 -1.0975 -1.0503 -1.0312 -0.9938 -0.9354 -0.9241 -0.9163 -0.8860 -0.8853 -0.8396 -0.7772 -0.6752 -0.6122 0.6447 0.8243 1.2664 1.3614 2.0747 2.1728 2.7390 2.9243 3.5212 3.5858 3.8394 3.8889 8.8137 8.8257 9.7913 10.1679 10.3642 10.4329 11.5612 11.5854 k = 0.2733 0.4734-0.0000 ( 3775 PWs) bands (ev): -5.2659 -5.2656 -5.0000 -4.9995 -1.3669 -1.3403 -1.2731 -1.2687 -1.2573 -1.2300 -1.1750 -1.0951 -1.0521 -1.0308 -0.9959 -0.9382 -0.9265 -0.9165 -0.8882 -0.8857 -0.8515 -0.7861 -0.6704 -0.6058 0.6247 0.8086 1.3138 1.4090 2.1225 2.2323 2.6955 2.8777 3.5727 3.6311 3.8973 3.9492 8.8586 8.8705 9.7352 10.0966 10.3074 10.3797 11.4454 11.4733 k = 0.2667 0.4619-0.0000 ( 3787 PWs) bands (ev): -5.2924 -5.2921 -4.9956 -4.9951 -1.3682 -1.3392 -1.2758 -1.2706 -1.2569 -1.2329 -1.1814 -1.0931 -1.0540 -1.0308 -0.9982 -0.9414 -0.9294 -0.9169 -0.8905 -0.8860 -0.8625 -0.7949 -0.6667 -0.6003 0.6075 0.7964 1.3657 1.4602 2.1702 2.2954 2.6579 2.8323 3.6262 3.6798 3.9581 4.0115 8.9076 8.9192 9.6770 10.0246 10.2476 10.3232 11.3320 11.3634 k = 0.2600 0.4503-0.0000 ( 3797 PWs) bands (ev): -5.3200 -5.3197 -4.9925 -4.9920 -1.3694 -1.3383 -1.2787 -1.2727 -1.2564 -1.2363 -1.1879 -1.0915 -1.0560 -1.0312 -1.0006 -0.9448 -0.9326 -0.9174 -0.8930 -0.8861 -0.8721 -0.8035 -0.6643 -0.5960 0.5935 0.7881 1.4221 1.5152 2.2138 2.3616 2.6302 2.7891 3.6816 3.7315 4.0213 4.0755 8.9605 8.9712 9.6175 9.9525 10.1854 10.2647 11.2210 11.2558 k = 0.2533 0.4388-0.0000 ( 3795 PWs) bands (ev): -5.3487 -5.3484 -4.9908 -4.9903 -1.3705 -1.3376 -1.2819 -1.2748 -1.2558 -1.2401 -1.1947 -1.0903 -1.0582 -1.0322 -1.0031 -0.9484 -0.9360 -0.9180 -0.8955 -0.8863 -0.8804 -0.8116 -0.6631 -0.5929 0.5829 0.7835 1.4830 1.5740 2.2480 2.4301 2.6179 2.7489 3.7387 3.7858 4.0865 4.1409 9.0167 9.0261 9.5575 9.8804 10.1217 10.2052 11.1126 11.1505 k = 0.2467 0.4272-0.0000 ( 3791 PWs) bands (ev): -5.3785 -5.3782 -4.9904 -4.9899 -1.3716 -1.3369 -1.2852 -1.2770 -1.2552 -1.2445 -1.2015 -1.0896 -1.0605 -1.0337 -1.0055 -0.9520 -0.9396 -0.9186 -0.8980 -0.8880 -0.8857 -0.8191 -0.6632 -0.5911 0.5757 0.7825 1.5481 1.6368 2.2671 2.4992 2.6269 2.7139 3.7975 3.8425 4.1535 4.2075 9.0755 9.0832 9.4978 9.8089 10.0572 10.1460 11.0068 11.0476 k = 0.2400 0.4157-0.0000 ( 3791 PWs) bands (ev): -5.4091 -5.4088 -4.9913 -4.9908 -1.3726 -1.3364 -1.2888 -1.2794 -1.2546 -1.2492 -1.2084 -1.0892 -1.0630 -1.0357 -1.0080 -0.9556 -0.9431 -0.9195 -0.9005 -0.8936 -0.8859 -0.8261 -0.6646 -0.5908 0.5719 0.7849 1.6175 1.7035 2.2698 2.5628 2.6588 2.6903 3.8578 3.9014 4.2218 4.2751 9.1352 9.1414 9.4395 9.7381 9.9930 10.0884 10.9038 10.9474 k = 0.2333 0.4041-0.0000 ( 3787 PWs) bands (ev): -5.4406 -5.4403 -4.9936 -4.9931 -1.3736 -1.3361 -1.2926 -1.2818 -1.2543 -1.2540 -1.2153 -1.0892 -1.0657 -1.0383 -1.0102 -0.9591 -0.9464 -0.9205 -0.9028 -0.8984 -0.8858 -0.8325 -0.6672 -0.5917 0.5710 0.7901 1.6910 1.7741 2.2608 2.5961 2.7035 2.7094 3.9193 3.9621 4.2912 4.3434 9.1922 9.1993 9.3857 9.6683 9.9300 10.0339 10.8035 10.8498 k = 0.2267 0.3926-0.0000 ( 3795 PWs) bands (ev): -5.4728 -5.4725 -4.9972 -4.9967 -1.3745 -1.3360 -1.2965 -1.2845 -1.2597 -1.2533 -1.2222 -1.0897 -1.0685 -1.0413 -1.0124 -0.9627 -0.9494 -0.9217 -0.9049 -0.9025 -0.8857 -0.8384 -0.6710 -0.5939 0.5728 0.7974 1.7685 1.8485 2.2464 2.5890 2.7637 2.7729 3.9820 4.0243 4.3615 4.4124 9.2316 9.2548 9.3500 9.5998 9.8699 9.9848 10.7062 10.7549 k = 0.2200 0.3811-0.0000 ( 3791 PWs) bands (ev): -5.5056 -5.5053 -5.0021 -5.0016 -1.3753 -1.3360 -1.3006 -1.2873 -1.2652 -1.2527 -1.2290 -1.0904 -1.0716 -1.0447 -1.0143 -0.9665 -0.9518 -0.9231 -0.9069 -0.9060 -0.8855 -0.8438 -0.6756 -0.5971 0.5766 0.8061 1.8499 1.9265 2.2320 2.5731 2.8398 2.8448 4.0455 4.0878 4.4326 4.4818 9.2188 9.3045 9.3643 9.5329 9.8157 9.9441 10.6118 10.6629 k = 0.2133 0.3695-0.0000 ( 3791 PWs) bands (ev): -5.5388 -5.5386 -5.0082 -5.0076 -1.3761 -1.3362 -1.3048 -1.2903 -1.2707 -1.2522 -1.2356 -1.0915 -1.0747 -1.0483 -1.0161 -0.9705 -0.9535 -0.9245 -0.9089 -0.9086 -0.8854 -0.8486 -0.6810 -0.6013 0.5819 0.8152 1.9351 2.0073 2.2214 2.5597 2.9210 2.9224 4.1097 4.1523 4.5042 4.5515 9.1727 9.3431 9.4038 9.4686 9.7732 9.9162 10.5205 10.5738 k = 0.2067 0.3580-0.0000 ( 3789 PWs) bands (ev): -5.5725 -5.5722 -5.0154 -5.0149 -1.3768 -1.3366 -1.3090 -1.2937 -1.2761 -1.2521 -1.2417 -1.0928 -1.0780 -1.0521 -1.0176 -0.9747 -0.9545 -0.9261 -0.9114 -0.9102 -0.8853 -0.8530 -0.6869 -0.6063 0.5879 0.8237 2.0238 2.0890 2.2191 2.5517 3.0040 3.0047 4.1744 4.2176 4.5761 4.6214 9.1196 9.3593 9.4127 9.4314 9.7532 9.9062 10.4324 10.4878 k = 0.2000 0.3464-0.0000 ( 3791 PWs) bands (ev): -5.6063 -5.6061 -5.0238 -5.0232 -1.3775 -1.3371 -1.3132 -1.2974 -1.2812 -1.2536 -1.2459 -1.0944 -1.0814 -1.0561 -1.0188 -0.9792 -0.9551 -0.9277 -0.9136 -0.9117 -0.8852 -0.8570 -0.6931 -0.6118 0.5941 0.8307 2.1159 2.1612 2.2370 2.5505 3.0884 3.0900 4.2392 4.2833 4.6481 4.6912 9.0653 9.3252 9.3893 9.4301 9.7666 9.9178 10.3477 10.4051 k = 0.1933 0.3349-0.0000 ( 3789 PWs) bands (ev): -5.6403 -5.6401 -5.0332 -5.0326 -1.3782 -1.3379 -1.3173 -1.3015 -1.2859 -1.2581 -1.2469 -1.0960 -1.0849 -1.0601 -1.0199 -0.9839 -0.9552 -0.9293 -0.9154 -0.9131 -0.8851 -0.8606 -0.6995 -0.6178 0.5996 0.8351 2.1993 2.2112 2.3008 2.5570 3.1748 3.1765 4.3040 4.3493 4.7202 4.7608 9.0113 9.2674 9.3719 9.4007 9.8103 9.9502 10.2665 10.3258 k = 0.1867 0.3233-0.0000 ( 3789 PWs) bands (ev): -5.6743 -5.6741 -5.0435 -5.0429 -1.3788 -1.3389 -1.3213 -1.3059 -1.2902 -1.2638 -1.2465 -1.0979 -1.0883 -1.0642 -1.0208 -0.9887 -0.9549 -0.9309 -0.9171 -0.9145 -0.8850 -0.8639 -0.7059 -0.6241 0.6041 0.8363 2.2239 2.3089 2.3908 2.5723 3.2629 3.2636 4.3686 4.4153 4.7921 4.8301 8.9582 9.2076 9.3426 9.3548 9.8716 9.9989 10.1890 10.2505 k = 0.1800 0.3118-0.0000 ( 3797 PWs) bands (ev): -5.7082 -5.7080 -5.0546 -5.0541 -1.3794 -1.3402 -1.3252 -1.3107 -1.2941 -1.2697 -1.2457 -1.0998 -1.0918 -1.0684 -1.0216 -0.9936 -0.9545 -0.9325 -0.9185 -0.9159 -0.8850 -0.8668 -0.7121 -0.6305 0.6068 0.8337 2.2536 2.4081 2.4888 2.5977 3.3512 3.3519 4.4327 4.4809 4.8636 4.8989 8.9061 9.1481 9.3006 9.3036 9.9402 10.0582 10.1157 10.1801 k = 0.1733 0.3002-0.0000 ( 3801 PWs) bands (ev): -5.7419 -5.7417 -5.0665 -5.0660 -1.3799 -1.3417 -1.3288 -1.3156 -1.2977 -1.2755 -1.2447 -1.1017 -1.0953 -1.0726 -1.0221 -0.9985 -0.9538 -0.9340 -0.9197 -0.9173 -0.8851 -0.8693 -0.7181 -0.6369 0.6076 0.8272 2.2920 2.5059 2.5913 2.6361 3.4389 3.4416 4.4962 4.5460 4.9346 4.9670 8.8549 9.0893 9.2421 9.2580 10.0059 10.0453 10.1203 10.1247 k = 0.1667 0.2887-0.0000 ( 3801 PWs) bands (ev): -5.7752 -5.7750 -5.0791 -5.0785 -1.3803 -1.3435 -1.3320 -1.3205 -1.3011 -1.2812 -1.2435 -1.1037 -1.0987 -1.0769 -1.0226 -1.0033 -0.9530 -0.9353 -0.9208 -0.9187 -0.8851 -0.8715 -0.7236 -0.6433 0.6061 0.8168 2.3397 2.5949 2.6949 2.6974 3.5264 3.5317 4.5588 4.6104 5.0049 5.0344 8.8048 9.0310 9.1813 9.2081 9.9805 10.0190 10.1174 10.1925 k = 0.1600 0.2771-0.0000 ( 3793 PWs) bands (ev): -5.8081 -5.8079 -5.0921 -5.0916 -1.3808 -1.3457 -1.3348 -1.3253 -1.3043 -1.2866 -1.2423 -1.1057 -1.1020 -1.0812 -1.0230 -1.0079 -0.9520 -0.9366 -0.9217 -0.9202 -0.8851 -0.8734 -0.7288 -0.6495 0.6022 0.8026 2.3966 2.6680 2.7807 2.8065 3.6135 3.6217 4.6205 4.6738 5.0742 5.1007 8.7554 8.9731 9.1188 9.1551 9.9203 9.9704 10.1788 10.2600 k = 0.1533 0.2656-0.0000 ( 3793 PWs) bands (ev): -5.8404 -5.8402 -5.1056 -5.1051 -1.3812 -1.3481 -1.3373 -1.3300 -1.3074 -1.2919 -1.2410 -1.1078 -1.1052 -1.0856 -1.0233 -1.0123 -0.9510 -0.9378 -0.9226 -0.9216 -0.8851 -0.8750 -0.7335 -0.6556 0.5960 0.7852 2.4623 2.7338 2.8850 2.9183 3.6999 3.7114 4.6811 4.7360 5.1425 5.1659 8.7065 8.9151 9.0549 9.0997 9.8653 9.9172 10.2457 10.3243 k = 0.1467 0.2540-0.0000 ( 3795 PWs) bands (ev): -5.8720 -5.8719 -5.1195 -5.1190 -1.3815 -1.3508 -1.3395 -1.3344 -1.3105 -1.2969 -1.2396 -1.1099 -1.1084 -1.0901 -1.0235 -1.0166 -0.9500 -0.9389 -0.9234 -0.9231 -0.8851 -0.8763 -0.7377 -0.6615 0.5876 0.7650 2.5361 2.8015 2.9976 3.0326 3.7853 3.8005 4.7404 4.7967 5.2094 5.2298 8.6579 8.8568 8.9897 9.0420 9.8157 9.8671 10.3085 10.3829 k = 0.1400 0.2425-0.0000 ( 3815 PWs) bands (ev): -5.9029 -5.9028 -5.1336 -5.1330 -1.3819 -1.3536 -1.3415 -1.3387 -1.3135 -1.3018 -1.2382 -1.1121 -1.1114 -1.0946 -1.0238 -1.0205 -0.9490 -0.9400 -0.9246 -0.9242 -0.8850 -0.8774 -0.7415 -0.6672 0.5772 0.7426 2.6174 2.8743 3.1148 3.1490 3.8695 3.8887 4.7984 4.8560 5.2749 5.2922 8.6091 8.7977 8.9229 8.9821 9.7719 9.8216 10.3640 10.4334 k = 0.1333 0.2309-0.0000 ( 3813 PWs) bands (ev): -5.9330 -5.9329 -5.1477 -5.1472 -1.3821 -1.3563 -1.3434 -1.3426 -1.3164 -1.3063 -1.2366 -1.1143 -1.1143 -1.0990 -1.0241 -1.0240 -0.9479 -0.9408 -0.9261 -0.9249 -0.8849 -0.8782 -0.7448 -0.6726 0.5650 0.7185 2.7055 2.9531 3.2349 3.2673 3.9523 3.9758 4.8551 4.9136 5.3385 5.3530 8.5597 8.7372 8.8542 8.9198 9.7343 9.7815 10.4096 10.4732 k = 0.1267 0.2194-0.0000 ( 3813 PWs) bands (ev): -5.9621 -5.9620 -5.1619 -5.1614 -1.3823 -1.3590 -1.3463 -1.3452 -1.3192 -1.3107 -1.2350 -1.1171 -1.1165 -1.1034 -1.0274 -1.0242 -0.9469 -0.9416 -0.9275 -0.9257 -0.8847 -0.8788 -0.7477 -0.6777 0.5513 0.6932 2.7996 3.0377 3.3572 3.3868 4.0336 4.0616 4.9105 4.9694 5.4003 5.4119 8.5090 8.6750 8.7832 8.8548 9.7033 9.7472 10.4434 10.5005 k = 0.1200 0.2078-0.0000 ( 3817 PWs) bands (ev): -5.9902 -5.9901 -5.1760 -5.1755 -1.3825 -1.3615 -1.3498 -1.3469 -1.3220 -1.3148 -1.2333 -1.1198 -1.1190 -1.1077 -1.0303 -1.0244 -0.9458 -0.9423 -0.9289 -0.9264 -0.8844 -0.8792 -0.7501 -0.6826 0.5366 0.6672 2.8989 3.1278 3.4809 3.5074 4.1132 4.1459 4.9646 5.0234 5.4598 5.4688 8.4567 8.6105 8.7097 8.7865 9.6789 9.7190 10.4638 10.5135 k = 0.1133 0.1963-0.0000 ( 3813 PWs) bands (ev): -6.0172 -6.0172 -5.1899 -5.1895 -1.3827 -1.3639 -1.3530 -1.3486 -1.3246 -1.3187 -1.2314 -1.1223 -1.1215 -1.1119 -1.0328 -1.0247 -0.9448 -0.9429 -0.9301 -0.9271 -0.8840 -0.8794 -0.7522 -0.6873 0.5210 0.6408 3.0029 3.2228 3.6054 3.6282 4.1912 4.2286 5.0177 5.0755 5.5170 5.5235 8.4021 8.5432 8.6330 8.7146 9.6614 9.6973 10.4700 10.5119 k = 0.1067 0.1848-0.0000 ( 3821 PWs) bands (ev): -6.0430 -6.0430 -5.2036 -5.2031 -1.3828 -1.3662 -1.3560 -1.3503 -1.3272 -1.3223 -1.2296 -1.1246 -1.1244 -1.1157 -1.0350 -1.0250 -0.9439 -0.9434 -0.9313 -0.9279 -0.8835 -0.8794 -0.7539 -0.6918 0.5049 0.6145 3.1106 3.3220 3.7300 3.7488 4.2675 4.3096 5.0698 5.1260 5.5716 5.5759 8.3446 8.4728 8.5529 8.6387 9.6509 9.6823 10.4621 10.4962 k = 0.1000 0.1732-0.0000 ( 3821 PWs) bands (ev): -6.0676 -6.0676 -5.2168 -5.2164 -1.3829 -1.3683 -1.3587 -1.3520 -1.3297 -1.3257 -1.2276 -1.1277 -1.1268 -1.1191 -1.0368 -1.0254 -0.9438 -0.9430 -0.9324 -0.9287 -0.8830 -0.8794 -0.7552 -0.6961 0.4887 0.5885 3.2216 3.4248 3.8537 3.8682 4.3424 4.3888 5.1215 5.1748 5.6235 5.6258 8.2837 8.3989 8.4692 8.5583 9.6472 9.6740 10.4415 10.4681 k = 0.0933 0.1617-0.0000 ( 3823 PWs) bands (ev): -6.0910 -6.0909 -5.2296 -5.2292 -1.3829 -1.3703 -1.3613 -1.3537 -1.3321 -1.3289 -1.2255 -1.1314 -1.1289 -1.1220 -1.0383 -1.0258 -0.9441 -0.9421 -0.9333 -0.9295 -0.8823 -0.8792 -0.7562 -0.7002 0.4724 0.5631 3.3348 3.5302 3.9753 3.9856 4.4164 4.4664 5.1730 5.2224 5.6724 5.6729 8.2190 8.3212 8.3815 8.4731 9.6502 9.6726 10.4103 10.4299 k = 0.0867 0.1501-0.0000 ( 3827 PWs) bands (ev): -6.1129 -6.1129 -5.2419 -5.2415 -1.3829 -1.3721 -1.3636 -1.3554 -1.3343 -1.3318 -1.2233 -1.1353 -1.1308 -1.1245 -1.0395 -1.0263 -0.9443 -0.9413 -0.9342 -0.9303 -0.8816 -0.8789 -0.7570 -0.7041 0.4565 0.5385 3.4496 3.6374 4.0935 4.0996 4.4900 4.5424 5.2252 5.2692 5.7173 5.7182 8.1500 8.2395 8.2899 8.3831 9.6596 9.6777 10.3710 10.3846 k = 0.0800 0.1386-0.0000 ( 3827 PWs) bands (ev): -6.1334 -6.1334 -5.2536 -5.2532 -1.3828 -1.3737 -1.3657 -1.3570 -1.3365 -1.3345 -1.2210 -1.1394 -1.1325 -1.1268 -1.0404 -1.0269 -0.9444 -0.9406 -0.9349 -0.9311 -0.8808 -0.8786 -0.7574 -0.7078 0.4411 0.5150 3.5649 3.7453 4.2063 4.2092 4.5641 4.6167 5.2787 5.3157 5.7588 5.7607 8.0766 8.1539 8.1948 8.2884 9.6749 9.6891 10.3266 10.3351 k = 0.0733 0.1270-0.0000 ( 3823 PWs) bands (ev): -6.1525 -6.1525 -5.2646 -5.2642 -1.3827 -1.3752 -1.3676 -1.3586 -1.3384 -1.3370 -1.2186 -1.1436 -1.1340 -1.1287 -1.0410 -1.0276 -0.9444 -0.9399 -0.9355 -0.9320 -0.8800 -0.8782 -0.7575 -0.7114 0.4265 0.4926 3.6797 3.8524 4.3120 4.3130 4.6394 4.6893 5.3346 5.3629 5.7972 5.7999 7.9987 8.0642 8.0965 8.1894 9.6957 9.7063 10.2797 10.2840 k = 0.0667 0.1155-0.0000 ( 3827 PWs) bands (ev): -6.1700 -6.1700 -5.2748 -5.2745 -1.3826 -1.3766 -1.3693 -1.3602 -1.3403 -1.3392 -1.2162 -1.1478 -1.1355 -1.1306 -1.0414 -1.0283 -0.9444 -0.9394 -0.9359 -0.9328 -0.8792 -0.8777 -0.7574 -0.7149 0.4128 0.4716 3.7927 3.9572 4.4091 4.4099 4.7160 4.7595 5.3941 5.4121 5.8325 5.8357 7.9166 7.9708 7.9958 8.0870 9.7210 9.7285 10.2327 10.2338 k = 0.0600 0.1039-0.0000 ( 3829 PWs) bands (ev): -6.1861 -6.1860 -5.2843 -5.2840 -1.3824 -1.3778 -1.3708 -1.3618 -1.3420 -1.3412 -1.2136 -1.1520 -1.1367 -1.1322 -1.0416 -1.0290 -0.9443 -0.9388 -0.9363 -0.9337 -0.8784 -0.8773 -0.7570 -0.7183 0.4001 0.4520 3.9025 4.0578 4.4971 4.4995 4.7927 4.8264 5.4582 5.4647 5.8646 5.8679 7.8308 7.8742 7.8937 7.9823 9.7501 9.7549 10.1862 10.1873 k = 0.0533 0.0924-0.0000 ( 3825 PWs) bands (ev): -6.2005 -6.2005 -5.2929 -5.2926 -1.3823 -1.3788 -1.3720 -1.3633 -1.3435 -1.3430 -1.2110 -1.1561 -1.1377 -1.1337 -1.0416 -1.0298 -0.9441 -0.9383 -0.9365 -0.9345 -0.8776 -0.8768 -0.7564 -0.7215 0.3887 0.4340 4.0074 4.1518 4.5771 4.5819 4.8668 4.8884 5.5223 5.5279 5.8935 5.8965 7.7423 7.7751 7.7915 7.8769 9.7817 9.7843 10.1425 10.1450 k = 0.0467 0.0808-0.0000 ( 3815 PWs) bands (ev): -6.2133 -6.2133 -5.3006 -5.3003 -1.3822 -1.3797 -1.3730 -1.3647 -1.3449 -1.3445 -1.2082 -1.1601 -1.1386 -1.1351 -1.0414 -1.0307 -0.9438 -0.9379 -0.9367 -0.9353 -0.8769 -0.8763 -0.7555 -0.7247 0.3786 0.4177 4.1055 4.2368 4.6511 4.6576 4.9346 4.9439 5.5863 5.6032 5.9192 5.9216 7.6527 7.6745 7.6907 7.7726 9.8147 9.8154 10.1036 10.1070 k = 0.0400 0.0693-0.0000 ( 3811 PWs) bands (ev): -6.2244 -6.2244 -5.3073 -5.3071 -1.3821 -1.3804 -1.3737 -1.3661 -1.3460 -1.3458 -1.2053 -1.1641 -1.1394 -1.1363 -1.0411 -1.0316 -0.9435 -0.9376 -0.9368 -0.9361 -0.8762 -0.8758 -0.7544 -0.7277 0.3700 0.4030 4.1947 4.3104 4.7207 4.7275 4.9915 4.9927 5.6567 5.6829 5.9417 5.9429 7.5635 7.5742 7.5935 7.6716 9.8466 9.8474 10.0704 10.0740 k = 0.0333 0.0577-0.0000 ( 3817 PWs) bands (ev): -6.2339 -6.2339 -5.3131 -5.3129 -1.3820 -1.3811 -1.3742 -1.3674 -1.3471 -1.3470 -1.2024 -1.1680 -1.1400 -1.1374 -1.0406 -1.0325 -0.9431 -0.9374 -0.9369 -0.9369 -0.8756 -0.8754 -0.7531 -0.7307 0.3630 0.3902 4.2733 4.3710 4.7868 4.7923 5.0305 5.0391 5.7320 5.7646 5.9607 5.9611 7.4754 7.4764 7.5040 7.5766 9.8761 9.8778 10.0433 10.0467 k = 0.0267 0.0462-0.0000 ( 3811 PWs) bands (ev): -6.2417 -6.2417 -5.3178 -5.3177 -1.3821 -1.3816 -1.3744 -1.3687 -1.3479 -1.3478 -1.1993 -1.1718 -1.1404 -1.1383 -1.0401 -1.0334 -0.9427 -0.9378 -0.9371 -0.9369 -0.8751 -0.8750 -0.7516 -0.7335 0.3576 0.3791 4.3397 4.4179 4.8485 4.8517 5.0607 5.0730 5.8085 5.8443 5.9750 5.9778 7.3844 7.3893 7.4274 7.4905 9.9015 9.9037 10.0233 10.0262 k = 0.0200 0.0346-0.0000 ( 3807 PWs) bands (ev): -6.2477 -6.2477 -5.3216 -5.3215 -1.3821 -1.3819 -1.3743 -1.3698 -1.3486 -1.3485 -1.1962 -1.1756 -1.1406 -1.1391 -1.0394 -1.0343 -0.9422 -0.9385 -0.9370 -0.9369 -0.8747 -0.8747 -0.7499 -0.7363 0.3539 0.3699 4.3932 4.4513 4.9032 4.9045 5.0822 5.0950 5.8800 5.9161 5.9864 5.9927 7.3027 7.3101 7.3665 7.4165 9.9204 9.9222 10.0114 10.0133 k = 0.0133 0.0231-0.0000 ( 3799 PWs) bands (ev): -6.2521 -6.2521 -5.3242 -5.3242 -1.3822 -1.3822 -1.3740 -1.3709 -1.3490 -1.3490 -1.1929 -1.1792 -1.1407 -1.1397 -1.0387 -1.0352 -0.9417 -0.9392 -0.9369 -0.9369 -0.8744 -0.8744 -0.7481 -0.7389 0.3519 0.3626 4.4337 4.4719 4.9474 4.9477 5.0959 5.1065 5.9376 5.9693 5.9989 6.0079 7.2374 7.2443 7.3233 7.3579 9.9310 9.9321 10.0075 10.0082 k = 0.0067 0.0115-0.0000 ( 3791 PWs) bands (ev): -6.2547 -6.2547 -5.3258 -5.3258 -1.3823 -1.3823 -1.3734 -1.3719 -1.3493 -1.3493 -1.1896 -1.1827 -1.1407 -1.1402 -1.0378 -1.0361 -0.9411 -0.9398 -0.9368 -0.9368 -0.8743 -0.8743 -0.7460 -0.7414 0.3518 0.3571 4.4613 4.4802 4.9770 4.9771 5.1036 5.1096 5.9715 5.9859 6.0231 6.0252 7.1952 7.1994 7.3000 7.3176 9.9349 9.9353 10.0083 10.0084 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -6.2556 -6.2556 -5.3263 -5.3263 -1.3823 -1.3823 -1.3727 -1.3727 -1.3494 -1.3494 -1.1862 -1.1862 -1.1405 -1.1405 -1.0370 -1.0370 -0.9405 -0.9405 -0.9368 -0.9368 -0.8742 -0.8742 -0.7438 -0.7438 0.3535 0.3535 4.4767 4.4767 4.9877 4.9877 5.1078 5.1078 5.9846 5.9846 6.0345 6.0345 7.1820 7.1820 7.2980 7.2980 9.9357 9.9357 10.0091 10.0091 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -6.2556 -6.2556 -5.3263 -5.3263 -1.3823 -1.3823 -1.3727 -1.3727 -1.3494 -1.3494 -1.1862 -1.1862 -1.1405 -1.1405 -1.0370 -1.0370 -0.9405 -0.9405 -0.9368 -0.9368 -0.8742 -0.8742 -0.7438 -0.7438 0.3535 0.3535 4.4767 4.4767 4.9877 4.9877 5.1078 5.1078 5.9846 5.9846 6.0345 6.0345 7.1820 7.1820 7.2980 7.2980 9.9357 9.9357 10.0091 10.0091 k = 0.0000 0.0000 0.0133 ( 3791 PWs) bands (ev): -6.2547 -6.2547 -5.3277 -5.3277 -1.3823 -1.3823 -1.3727 -1.3727 -1.3494 -1.3494 -1.1866 -1.1866 -1.1405 -1.1405 -1.0372 -1.0372 -0.9405 -0.9405 -0.9367 -0.9367 -0.8743 -0.8743 -0.7459 -0.7459 0.3600 0.3600 4.4777 4.4777 4.9887 4.9887 5.1021 5.1021 5.9685 5.9685 6.0330 6.0330 7.2003 7.2003 7.2993 7.2993 9.9368 9.9368 10.0103 10.0103 k = 0.0000 0.0000 0.0266 ( 3797 PWs) bands (ev): -6.2520 -6.2520 -5.3318 -5.3318 -1.3822 -1.3822 -1.3725 -1.3725 -1.3496 -1.3496 -1.1879 -1.1879 -1.1404 -1.1404 -1.0376 -1.0376 -0.9404 -0.9404 -0.9365 -0.9365 -0.8745 -0.8745 -0.7522 -0.7522 0.3793 0.3793 4.4806 4.4806 4.9917 4.9917 5.0843 5.0843 5.9239 5.9239 6.0285 6.0285 7.2521 7.2521 7.3032 7.3032 9.9401 9.9401 10.0137 10.0137 k = 0.0000 0.0000 0.0399 ( 3809 PWs) bands (ev): -6.2476 -6.2476 -5.3386 -5.3386 -1.3821 -1.3821 -1.3723 -1.3723 -1.3498 -1.3498 -1.1901 -1.1901 -1.1403 -1.1403 -1.0385 -1.0385 -0.9403 -0.9403 -0.9361 -0.9361 -0.8749 -0.8749 -0.7620 -0.7620 0.4109 0.4109 4.4854 4.4854 4.9968 4.9968 5.0537 5.0537 5.8594 5.8594 6.0210 6.0210 7.3096 7.3096 7.3292 7.3292 9.9457 9.9457 10.0195 10.0195 k = 0.0000 0.0000 0.0532 ( 3809 PWs) bands (ev): -6.2415 -6.2415 -5.3480 -5.3480 -1.3819 -1.3819 -1.3719 -1.3719 -1.3502 -1.3502 -1.1930 -1.1930 -1.1400 -1.1400 -1.0396 -1.0396 -0.9402 -0.9402 -0.9356 -0.9356 -0.8754 -0.8754 -0.7745 -0.7745 0.4538 0.4538 4.4920 4.4920 5.0039 5.0039 5.0088 5.0088 5.7846 5.7846 6.0105 6.0105 7.3187 7.3187 7.4230 7.4230 9.9535 9.9535 10.0275 10.0275 k = 0.0000 0.0000 0.0665 ( 3838 PWs) bands (ev): -6.2336 -6.2336 -5.3600 -5.3600 -1.3816 -1.3816 -1.3715 -1.3715 -1.3506 -1.3506 -1.1968 -1.1968 -1.1398 -1.1398 -1.0413 -1.0413 -0.9400 -0.9400 -0.9350 -0.9350 -0.8761 -0.8761 -0.7890 -0.7890 0.5071 0.5071 4.5006 4.5006 4.9480 4.9480 5.0129 5.0129 5.7078 5.7078 5.9973 5.9973 7.3303 7.3303 7.5260 7.5260 9.9636 9.9636 10.0379 10.0379 k = 0.0000 0.0000 0.0797 ( 3832 PWs) bands (ev): -6.2241 -6.2241 -5.3743 -5.3743 -1.3813 -1.3813 -1.3708 -1.3708 -1.3511 -1.3511 -1.2013 -1.2013 -1.1394 -1.1394 -1.0433 -1.0433 -0.9398 -0.9398 -0.9341 -0.9341 -0.8768 -0.8768 -0.8043 -0.8043 0.5699 0.5699 4.5110 4.5110 4.8705 4.8705 5.0240 5.0240 5.6345 5.6345 5.9813 5.9813 7.3445 7.3445 7.6323 7.6323 9.9760 9.9760 10.0505 10.0505 k = 0.0000 0.0000 0.0930 ( 3820 PWs) bands (ev): -6.2128 -6.2128 -5.3911 -5.3911 -1.3809 -1.3809 -1.3701 -1.3701 -1.3517 -1.3517 -1.2066 -1.2066 -1.1389 -1.1389 -1.0457 -1.0457 -0.9395 -0.9395 -0.9331 -0.9331 -0.8776 -0.8776 -0.8197 -0.8197 0.6411 0.6411 4.5232 4.5232 4.7766 4.7766 5.0369 5.0369 5.5679 5.5679 5.9628 5.9628 7.3612 7.3612 7.7374 7.7374 9.9909 9.9909 10.0654 10.0654 k = 0.0000 0.0000 0.1063 ( 3820 PWs) bands (ev): -6.1999 -6.1999 -5.4100 -5.4100 -1.3805 -1.3805 -1.3692 -1.3692 -1.3524 -1.3524 -1.2126 -1.2126 -1.1383 -1.1383 -1.0486 -1.0486 -0.9392 -0.9392 -0.9320 -0.9320 -0.8786 -0.8786 -0.8348 -0.8348 0.7200 0.7200 4.5372 4.5372 4.6679 4.6679 5.0518 5.0518 5.5086 5.5086 5.9418 5.9418 7.3804 7.3804 7.8372 7.8372 10.0085 10.0085 10.0826 10.0826 k = 0.0000 0.0000 0.1196 ( 3796 PWs) bands (ev): -6.1853 -6.1853 -5.4309 -5.4309 -1.3799 -1.3799 -1.3681 -1.3681 -1.3531 -1.3531 -1.2192 -1.2192 -1.1376 -1.1376 -1.0520 -1.0520 -0.9389 -0.9389 -0.9307 -0.9307 -0.8796 -0.8796 -0.8489 -0.8489 0.8059 0.8059 4.5470 4.5470 4.5530 4.5530 5.0685 5.0685 5.4560 5.4560 5.9185 5.9185 7.4022 7.4022 7.9284 7.9284 10.0287 10.0287 10.1021 10.1021 k = 0.0000 0.0000 0.1329 ( 3796 PWs) bands (ev): -6.1692 -6.1692 -5.4537 -5.4537 -1.3794 -1.3794 -1.3669 -1.3669 -1.3539 -1.3539 -1.2265 -1.2265 -1.1368 -1.1368 -1.0558 -1.0558 -0.9385 -0.9385 -0.9294 -0.9294 -0.8809 -0.8809 -0.8618 -0.8618 0.8981 0.8981 4.4165 4.4165 4.5705 4.5705 5.0870 5.0870 5.4085 5.4085 5.8931 5.8931 7.4264 7.4264 8.0080 8.0080 10.0516 10.0516 10.1237 10.1237 k = 0.0000 0.0000 0.1462 ( 3796 PWs) bands (ev): -6.1515 -6.1515 -5.4783 -5.4783 -1.3788 -1.3788 -1.3655 -1.3655 -1.3548 -1.3548 -1.2342 -1.2342 -1.1360 -1.1360 -1.0600 -1.0600 -0.9381 -0.9381 -0.9279 -0.9279 -0.8822 -0.8822 -0.8733 -0.8733 0.9961 0.9961 4.2788 4.2788 4.5896 4.5896 5.1073 5.1073 5.3648 5.3648 5.8659 5.8659 7.4530 7.4530 8.0736 8.0736 10.0766 10.0766 10.1476 10.1476 k = 0.0000 0.0000 0.1595 ( 3802 PWs) bands (ev): -6.1323 -6.1323 -5.5044 -5.5044 -1.3781 -1.3781 -1.3639 -1.3639 -1.3557 -1.3557 -1.2423 -1.2423 -1.1349 -1.1349 -1.0645 -1.0645 -0.9377 -0.9377 -0.9264 -0.9264 -0.8837 -0.8837 -0.8833 -0.8833 1.0994 1.0994 4.1359 4.1359 4.6103 4.6103 5.1293 5.1293 5.3238 5.3238 5.8369 5.8369 7.4820 7.4820 8.1236 8.1236 10.1033 10.1033 10.1737 10.1737 k = 0.0000 0.0000 0.1728 ( 3814 PWs) bands (ev): -6.1116 -6.1116 -5.5318 -5.5318 -1.3774 -1.3774 -1.3621 -1.3621 -1.3567 -1.3567 -1.2507 -1.2507 -1.1338 -1.1338 -1.0693 -1.0693 -0.9372 -0.9372 -0.9248 -0.9248 -0.8919 -0.8919 -0.8852 -0.8852 1.2076 1.2076 3.9893 3.9893 4.6326 4.6326 5.1529 5.1529 5.2845 5.2845 5.8063 5.8063 7.5133 7.5133 8.1576 8.1576 10.1314 10.1314 10.2019 10.2019 k = 0.0000 0.0000 0.1861 ( 3820 PWs) bands (ev): -6.0896 -6.0896 -5.5604 -5.5604 -1.3767 -1.3767 -1.3601 -1.3601 -1.3577 -1.3577 -1.2592 -1.2592 -1.1325 -1.1325 -1.0741 -1.0741 -0.9367 -0.9367 -0.9230 -0.9230 -0.8992 -0.8992 -0.8869 -0.8869 1.3205 1.3205 3.8404 3.8404 4.6564 4.6564 5.1780 5.1780 5.2464 5.2464 5.7745 5.7745 7.5469 7.5469 8.1760 8.1760 10.1610 10.1610 10.2323 10.2323 k = 0.0000 0.0000 0.1994 ( 3820 PWs) bands (ev): -6.0663 -6.0663 -5.5900 -5.5900 -1.3758 -1.3758 -1.3588 -1.3588 -1.3577 -1.3577 -1.2678 -1.2678 -1.1310 -1.1310 -1.0789 -1.0789 -0.9362 -0.9362 -0.9211 -0.9211 -0.9053 -0.9053 -0.8886 -0.8886 1.4376 1.4376 3.6899 3.6899 4.6816 4.6816 5.2047 5.2047 5.2090 5.2090 5.7415 5.7415 7.5826 7.5826 8.1801 8.1801 10.1922 10.1922 10.2648 10.2648 k = 0.0000 0.0000 0.2127 ( 3820 PWs) bands (ev): -6.0416 -6.0416 -5.6204 -5.6204 -1.3750 -1.3750 -1.3599 -1.3599 -1.3551 -1.3551 -1.2762 -1.2762 -1.1294 -1.1294 -1.0837 -1.0837 -0.9356 -0.9356 -0.9192 -0.9192 -0.9104 -0.9104 -0.8904 -0.8904 1.5587 1.5587 3.5387 3.5387 4.7081 4.7081 5.1722 5.1722 5.2327 5.2327 5.7075 5.7075 7.6203 7.6203 8.1718 8.1718 10.2252 10.2252 10.2993 10.2993 k = 0.0000 0.0000 0.2259 ( 3820 PWs) bands (ev): -6.0159 -6.0159 -5.6514 -5.6514 -1.3741 -1.3741 -1.3610 -1.3610 -1.3521 -1.3521 -1.2844 -1.2844 -1.1276 -1.1276 -1.0884 -1.0884 -0.9349 -0.9349 -0.9172 -0.9172 -0.9147 -0.9147 -0.8923 -0.8923 1.6835 1.6835 3.3873 3.3873 4.7359 4.7359 5.1357 5.1357 5.2621 5.2621 5.6728 5.6728 7.6599 7.6599 8.1531 8.1531 10.2601 10.2601 10.3358 10.3358 k = 0.0000 0.0000 0.2392 ( 3820 PWs) bands (ev): -5.9890 -5.9890 -5.6829 -5.6829 -1.3732 -1.3732 -1.3622 -1.3622 -1.3488 -1.3488 -1.2924 -1.2924 -1.1256 -1.1256 -1.0929 -1.0929 -0.9342 -0.9342 -0.9182 -0.9182 -0.9152 -0.9152 -0.8942 -0.8942 1.8118 1.8118 3.2362 3.2362 4.7649 4.7649 5.0996 5.0996 5.2926 5.2926 5.6376 5.6376 7.7013 7.7013 8.1262 8.1262 10.2969 10.2969 10.3742 10.3742 k = 0.0000 0.0000 0.2525 ( 3802 PWs) bands (ev): -5.9611 -5.9611 -5.7146 -5.7146 -1.3721 -1.3721 -1.3633 -1.3633 -1.3451 -1.3451 -1.2999 -1.2999 -1.1233 -1.1233 -1.0972 -1.0972 -0.9334 -0.9334 -0.9212 -0.9212 -0.9131 -0.9131 -0.8962 -0.8962 1.9434 1.9434 3.0858 3.0858 4.7949 4.7949 5.0638 5.0638 5.3243 5.3243 5.6020 5.6020 7.7442 7.7442 8.0928 8.0928 10.3355 10.3355 10.4144 10.4144 k = 0.0000 0.0000 0.2658 ( 3808 PWs) bands (ev): -5.9322 -5.9322 -5.7465 -5.7465 -1.3711 -1.3711 -1.3644 -1.3644 -1.3410 -1.3410 -1.3072 -1.3072 -1.1209 -1.1209 -1.1013 -1.1013 -0.9325 -0.9325 -0.9237 -0.9237 -0.9110 -0.9110 -0.8982 -0.8982 2.0780 2.0780 2.9365 2.9365 4.8260 4.8260 5.0282 5.0282 5.3569 5.3569 5.5663 5.5663 7.7883 7.7883 8.0547 8.0547 10.3759 10.3759 10.4565 10.4565 k = 0.0000 0.0000 0.2791 ( 3796 PWs) bands (ev): -5.9026 -5.9026 -5.7784 -5.7784 -1.3700 -1.3700 -1.3656 -1.3656 -1.3365 -1.3365 -1.3139 -1.3139 -1.1182 -1.1182 -1.1052 -1.1052 -0.9314 -0.9314 -0.9257 -0.9257 -0.9088 -0.9088 -0.9003 -0.9003 2.2154 2.2154 2.7885 2.7885 4.8580 4.8580 4.9931 4.9931 5.3904 5.3904 5.5305 5.5305 7.8333 7.8333 8.0132 8.0132 10.4181 10.4181 10.5003 10.5003 k = 0.0000 0.0000 0.2924 ( 3790 PWs) bands (ev): -5.8723 -5.8723 -5.8100 -5.8100 -1.3689 -1.3689 -1.3667 -1.3667 -1.3315 -1.3315 -1.3202 -1.3202 -1.1153 -1.1153 -1.1088 -1.1088 -0.9303 -0.9303 -0.9275 -0.9275 -0.9066 -0.9066 -0.9023 -0.9023 2.3553 2.3553 2.6421 2.6421 4.8908 4.8908 4.9584 4.9584 5.4247 5.4247 5.4949 5.4949 7.8789 7.8789 7.9695 7.9695 10.4618 10.4618 10.5456 10.5456 k = 0.0000 0.0000 0.3057 ( 3784 PWs) bands (ev): -5.8414 -5.8414 -5.8414 -5.8414 -1.3678 -1.3678 -1.3678 -1.3678 -1.3261 -1.3261 -1.3261 -1.3261 -1.1121 -1.1121 -1.1121 -1.1121 -0.9290 -0.9290 -0.9290 -0.9290 -0.9045 -0.9045 -0.9045 -0.9045 2.4977 2.4977 2.4977 2.4977 4.9243 4.9243 4.9243 4.9243 5.4595 5.4595 5.4595 5.4595 7.9245 7.9245 7.9245 7.9245 10.5070 10.5070 10.5070 10.5070 k = 0.0000 0.0000 0.3057 ( 3784 PWs) bands (ev): -5.8414 -5.8414 -5.8414 -5.8414 -1.3678 -1.3678 -1.3678 -1.3678 -1.3261 -1.3261 -1.3261 -1.3261 -1.1121 -1.1121 -1.1121 -1.1121 -0.9290 -0.9290 -0.9290 -0.9290 -0.9045 -0.9045 -0.9045 -0.9045 2.4977 2.4977 2.4977 2.4977 4.9243 4.9243 4.9243 4.9243 5.4595 5.4595 5.4595 5.4595 7.9245 7.9245 7.9245 7.9245 10.5070 10.5070 10.5070 10.5070 k = 0.0116 0.0067 0.3057 ( 3788 PWs) bands (ev): -5.8406 -5.8406 -5.8406 -5.8406 -1.3678 -1.3678 -1.3678 -1.3678 -1.3272 -1.3272 -1.3249 -1.3249 -1.1121 -1.1121 -1.1120 -1.1120 -0.9302 -0.9302 -0.9278 -0.9278 -0.9044 -0.9044 -0.9044 -0.9044 2.4933 2.4933 2.5013 2.5013 4.9081 4.9081 4.9304 4.9304 5.4531 5.4531 5.4533 5.4533 7.9239 7.9239 7.9442 7.9442 10.5048 10.5048 10.5059 10.5059 k = 0.0233 0.0134 0.3057 ( 3786 PWs) bands (ev): -5.8384 -5.8384 -5.8383 -5.8383 -1.3675 -1.3675 -1.3675 -1.3675 -1.3283 -1.3283 -1.3235 -1.3235 -1.1119 -1.1119 -1.1117 -1.1117 -0.9314 -0.9314 -0.9266 -0.9266 -0.9043 -0.9043 -0.9043 -0.9043 2.4880 2.4880 2.5040 2.5040 4.8817 4.8817 4.9266 4.9266 5.4342 5.4342 5.4356 5.4356 7.9424 7.9424 7.9822 7.9822 10.4958 10.4958 10.4980 10.4980 k = 0.0349 0.0201 0.3057 ( 3786 PWs) bands (ev): -5.8346 -5.8346 -5.8345 -5.8345 -1.3672 -1.3672 -1.3671 -1.3671 -1.3292 -1.3292 -1.3221 -1.3221 -1.1115 -1.1115 -1.1113 -1.1113 -0.9326 -0.9326 -0.9255 -0.9255 -0.9042 -0.9042 -0.9041 -0.9041 2.4818 2.4818 2.5059 2.5059 4.8448 4.8448 4.9129 4.9129 5.4039 5.4039 5.4082 5.4082 7.9784 7.9784 8.0365 8.0365 10.4742 10.4742 10.4768 10.4768 k = 0.0465 0.0269 0.3057 ( 3792 PWs) bands (ev): -5.8293 -5.8293 -5.8292 -5.8292 -1.3667 -1.3667 -1.3666 -1.3666 -1.3300 -1.3300 -1.3205 -1.3205 -1.1110 -1.1110 -1.1106 -1.1106 -0.9338 -0.9338 -0.9245 -0.9245 -0.9040 -0.9040 -0.9037 -0.9037 2.4745 2.4745 2.5068 2.5068 4.7976 4.7976 4.8892 4.8892 5.3644 5.3644 5.3737 5.3737 8.0296 8.0296 8.1046 8.1046 10.4402 10.4402 10.4425 10.4425 k = 0.0581 0.0336 0.3057 ( 3800 PWs) bands (ev): -5.8225 -5.8225 -5.8224 -5.8224 -1.3661 -1.3661 -1.3659 -1.3659 -1.3307 -1.3307 -1.3189 -1.3189 -1.1103 -1.1103 -1.1098 -1.1098 -0.9350 -0.9350 -0.9236 -0.9236 -0.9037 -0.9037 -0.9032 -0.9032 2.4659 2.4659 2.5065 2.5065 4.7403 4.7403 4.8554 4.8554 5.3186 5.3186 5.3343 5.3343 8.0931 8.0931 8.1831 8.1831 10.3982 10.3982 10.3998 10.3998 k = 0.0698 0.0403 0.3057 ( 3800 PWs) bands (ev): -5.8143 -5.8143 -5.8141 -5.8141 -1.3654 -1.3654 -1.3651 -1.3651 -1.3313 -1.3313 -1.3171 -1.3171 -1.1094 -1.1094 -1.1088 -1.1088 -0.9361 -0.9361 -0.9227 -0.9227 -0.9034 -0.9034 -0.9026 -0.9026 2.4558 2.4558 2.5047 2.5047 4.6739 4.6739 4.8115 4.8115 5.2692 5.2692 5.2919 5.2919 8.1654 8.1654 8.2689 8.2689 10.3527 10.3527 10.3534 10.3534 k = 0.0814 0.0470 0.3057 ( 3790 PWs) bands (ev): -5.8046 -5.8046 -5.8044 -5.8044 -1.3645 -1.3645 -1.3641 -1.3641 -1.3317 -1.3317 -1.3152 -1.3152 -1.1084 -1.1084 -1.1076 -1.1076 -0.9372 -0.9372 -0.9219 -0.9219 -0.9030 -0.9030 -0.9017 -0.9017 2.4437 2.4437 2.5012 2.5012 4.5997 4.5997 4.7580 4.7580 5.2185 5.2185 5.2479 5.2479 8.2429 8.2429 8.3581 8.3581 10.3071 10.3071 10.3074 10.3074 k = 0.0930 0.0537 0.3057 ( 3798 PWs) bands (ev): -5.7935 -5.7935 -5.7933 -5.7933 -1.3637 -1.3637 -1.3630 -1.3630 -1.3320 -1.3320 -1.3132 -1.3132 -1.1073 -1.1073 -1.1063 -1.1063 -0.9382 -0.9382 -0.9213 -0.9213 -0.9026 -0.9026 -0.9007 -0.9007 2.4295 2.4295 2.4956 2.4956 4.5194 4.5194 4.6961 4.6961 5.1680 5.1680 5.2030 5.2030 8.3219 8.3219 8.4472 8.4472 10.2646 10.2646 10.2655 10.2655 k = 0.1047 0.0604 0.3057 ( 3794 PWs) bands (ev): -5.7810 -5.7810 -5.7808 -5.7808 -1.3626 -1.3626 -1.3617 -1.3617 -1.3321 -1.3321 -1.3110 -1.3110 -1.1060 -1.1060 -1.1047 -1.1047 -0.9392 -0.9392 -0.9208 -0.9208 -0.9021 -0.9021 -0.8995 -0.8995 2.4126 2.4126 2.4873 2.4873 4.4349 4.4349 4.6275 4.6275 5.1185 5.1185 5.1576 5.1576 8.3984 8.3984 8.5319 8.5319 10.2294 10.2294 10.2299 10.2299 k = 0.1163 0.0671 0.3057 ( 3786 PWs) bands (ev): -5.7672 -5.7672 -5.7670 -5.7670 -1.3615 -1.3615 -1.3603 -1.3603 -1.3320 -1.3320 -1.3087 -1.3087 -1.1046 -1.1046 -1.1030 -1.1030 -0.9401 -0.9401 -0.9203 -0.9203 -0.9015 -0.9015 -0.8981 -0.8981 2.3926 2.3926 2.4757 2.4757 4.3483 4.3483 4.5543 4.5543 5.0701 5.0701 5.1120 5.1120 8.4687 8.4687 8.6083 8.6083 10.2032 10.2032 10.2045 10.2045 k = 0.1279 0.0738 0.3057 ( 3792 PWs) bands (ev): -5.7521 -5.7521 -5.7519 -5.7519 -1.3604 -1.3604 -1.3589 -1.3589 -1.3317 -1.3317 -1.3062 -1.3062 -1.1030 -1.1030 -1.1011 -1.1011 -0.9409 -0.9409 -0.9199 -0.9199 -0.9009 -0.9009 -0.8966 -0.8966 2.3690 2.3690 2.4603 2.4603 4.2616 4.2616 4.4788 4.4788 5.0228 5.0228 5.0663 5.0663 8.5292 8.5292 8.6724 8.6724 10.1877 10.1877 10.1928 10.1928 k = 0.1395 0.0806 0.3057 ( 3800 PWs) bands (ev): -5.7358 -5.7358 -5.7356 -5.7356 -1.3592 -1.3592 -1.3574 -1.3574 -1.3311 -1.3311 -1.3036 -1.3036 -1.1014 -1.1014 -1.0990 -1.0990 -0.9417 -0.9417 -0.9195 -0.9195 -0.9002 -0.9002 -0.8949 -0.8949 2.3413 2.3413 2.4402 2.4402 4.1766 4.1766 4.4029 4.4029 4.9762 4.9762 5.0204 5.0204 8.5770 8.5770 8.7208 8.7208 10.1843 10.1843 10.1957 10.1957 k = 0.1512 0.0873 0.3057 ( 3804 PWs) bands (ev): -5.7183 -5.7183 -5.7181 -5.7181 -1.3580 -1.3580 -1.3559 -1.3559 -1.3302 -1.3302 -1.3008 -1.3008 -1.0996 -1.0996 -1.0968 -1.0968 -0.9423 -0.9423 -0.9192 -0.9192 -0.8995 -0.8995 -0.8931 -0.8931 2.3090 2.3090 2.4147 2.4147 4.0951 4.0951 4.3286 4.3286 4.9303 4.9303 4.9745 4.9745 8.6100 8.6100 8.7515 8.7515 10.1928 10.1928 10.2130 10.2130 k = 0.1628 0.0940 0.3057 ( 3814 PWs) bands (ev): -5.6997 -5.6997 -5.6995 -5.6995 -1.3568 -1.3568 -1.3544 -1.3544 -1.3290 -1.3290 -1.2978 -1.2978 -1.0977 -1.0977 -1.0944 -1.0944 -0.9429 -0.9429 -0.9189 -0.9189 -0.8986 -0.8986 -0.8911 -0.8911 2.2716 2.2716 2.3830 2.3830 4.0188 4.0188 4.2575 4.2575 4.8847 4.8847 4.9286 4.9286 8.6277 8.6277 8.7645 8.7645 10.2110 10.2110 10.2417 10.2417 k = 0.1744 0.1007 0.3057 ( 3806 PWs) bands (ev): -5.6801 -5.6801 -5.6799 -5.6799 -1.3555 -1.3555 -1.3531 -1.3531 -1.3272 -1.3272 -1.2946 -1.2946 -1.0957 -1.0957 -1.0918 -1.0918 -0.9433 -0.9433 -0.9185 -0.9185 -0.8975 -0.8975 -0.8889 -0.8889 2.2288 2.2288 2.3445 2.3445 3.9489 3.9489 4.1910 4.1910 4.8396 4.8396 4.8828 4.8828 8.6307 8.6307 8.7612 8.7612 10.2347 10.2347 10.2766 10.2766 k = 0.1860 0.1074 0.3057 ( 3806 PWs) bands (ev): -5.6595 -5.6595 -5.6593 -5.6593 -1.3542 -1.3542 -1.3518 -1.3518 -1.3250 -1.3250 -1.2912 -1.2912 -1.0937 -1.0937 -1.0891 -1.0890 -0.9436 -0.9436 -0.9181 -0.9181 -0.8964 -0.8964 -0.8867 -0.8867 2.1804 2.1804 2.2987 2.2987 3.8867 3.8867 4.1299 4.1299 4.7948 4.7948 4.8373 4.8373 8.6207 8.6207 8.7441 8.7441 10.2586 10.2586 10.3108 10.3108 k = 0.1977 0.1141 0.3057 ( 3806 PWs) bands (ev): -5.6380 -5.6380 -5.6378 -5.6378 -1.3529 -1.3529 -1.3507 -1.3507 -1.3223 -1.3223 -1.2876 -1.2876 -1.0915 -1.0915 -1.0862 -1.0862 -0.9438 -0.9438 -0.9177 -0.9177 -0.8951 -0.8951 -0.8842 -0.8842 2.1261 2.1261 2.2455 2.2455 3.8326 3.8326 4.0749 4.0749 4.7505 4.7505 4.7922 4.7922 8.6000 8.6000 8.7161 8.7161 10.2768 10.2769 10.3369 10.3369 k = 0.2093 0.1208 0.3057 ( 3810 PWs) bands (ev): -5.6157 -5.6157 -5.6155 -5.6155 -1.3516 -1.3516 -1.3498 -1.3498 -1.3191 -1.3191 -1.2837 -1.2837 -1.0893 -1.0893 -1.0831 -1.0831 -0.9439 -0.9439 -0.9172 -0.9172 -0.8936 -0.8936 -0.8817 -0.8817 2.0663 2.0663 2.1848 2.1848 3.7871 3.7871 4.0265 4.0265 4.7068 4.7068 4.7476 4.7476 8.5708 8.5708 8.6800 8.6800 10.2847 10.2847 10.3494 10.3494 k = 0.2209 0.1276 0.3057 ( 3810 PWs) bands (ev): -5.5928 -5.5928 -5.5925 -5.5925 -1.3504 -1.3504 -1.3490 -1.3490 -1.3153 -1.3153 -1.2796 -1.2796 -1.0870 -1.0870 -1.0800 -1.0800 -0.9438 -0.9438 -0.9166 -0.9166 -0.8919 -0.8919 -0.8789 -0.8789 2.0010 2.0010 2.1172 2.1172 3.7500 3.7500 3.9848 3.9848 4.6639 4.6639 4.7038 4.7038 8.5354 8.5354 8.6381 8.6381 10.2793 10.2793 10.3452 10.3452 k = 0.2326 0.1343 0.3057 ( 3816 PWs) bands (ev): -5.5692 -5.5692 -5.5690 -5.5690 -1.3493 -1.3493 -1.3483 -1.3483 -1.3112 -1.3112 -1.2753 -1.2753 -1.0847 -1.0847 -1.0768 -1.0768 -0.9435 -0.9435 -0.9160 -0.9160 -0.8900 -0.8900 -0.8760 -0.8760 1.9309 1.9309 2.0433 2.0433 3.7210 3.7210 3.9495 3.9495 4.6219 4.6219 4.6609 4.6609 8.4955 8.4955 8.5924 8.5924 10.2600 10.2600 10.3243 10.3243 k = 0.2442 0.1410 0.3057 ( 3816 PWs) bands (ev): -5.5451 -5.5451 -5.5449 -5.5449 -1.3481 -1.3481 -1.3477 -1.3477 -1.3065 -1.3065 -1.2708 -1.2708 -1.0824 -1.0824 -1.0735 -1.0735 -0.9431 -0.9431 -0.9153 -0.9153 -0.8878 -0.8878 -0.8728 -0.8728 1.8564 1.8564 1.9640 1.9640 3.6994 3.6994 3.9204 3.9204 4.5809 4.5809 4.6190 4.6190 8.4526 8.4526 8.5442 8.5442 10.2278 10.2278 10.2888 10.2888 k = 0.2558 0.1477 0.3057 ( 3816 PWs) bands (ev): -5.5207 -5.5207 -5.5205 -5.5205 -1.3472 -1.3472 -1.3470 -1.3470 -1.3015 -1.3015 -1.2660 -1.2660 -1.0801 -1.0801 -1.0701 -1.0701 -0.9424 -0.9424 -0.9144 -0.9144 -0.8853 -0.8853 -0.8693 -0.8693 1.7782 1.7782 1.8803 1.8803 3.6844 3.6844 3.8970 3.8970 4.5413 4.5413 4.5785 4.5785 8.4080 8.4080 8.4947 8.4947 10.1850 10.1850 10.2417 10.2417 k = 0.2674 0.1544 0.3057 ( 3816 PWs) bands (ev): -5.4960 -5.4960 -5.4958 -5.4958 -1.3467 -1.3467 -1.3460 -1.3460 -1.2960 -1.2960 -1.2610 -1.2610 -1.0777 -1.0777 -1.0668 -1.0668 -0.9415 -0.9415 -0.9135 -0.9135 -0.8825 -0.8825 -0.8656 -0.8656 1.6971 1.6971 1.7931 1.7931 3.6751 3.6751 3.8786 3.8786 4.5031 4.5031 4.5394 4.5394 8.3626 8.3626 8.4449 8.4449 10.1339 10.1339 10.1860 10.1860 k = 0.2791 0.1611 0.3057 ( 3816 PWs) bands (ev): -5.4712 -5.4712 -5.4710 -5.4710 -1.3462 -1.3462 -1.3451 -1.3451 -1.2902 -1.2902 -1.2558 -1.2558 -1.0754 -1.0754 -1.0634 -1.0634 -0.9404 -0.9404 -0.9126 -0.9126 -0.8792 -0.8792 -0.8615 -0.8615 1.6139 1.6139 1.7036 1.7036 3.6706 3.6706 3.8646 3.8646 4.4666 4.4666 4.5019 4.5019 8.3171 8.3171 8.3953 8.3953 10.0767 10.0767 10.1243 10.1243 k = 0.2907 0.1678 0.3057 ( 3808 PWs) bands (ev): -5.4464 -5.4464 -5.4462 -5.4462 -1.3458 -1.3458 -1.3442 -1.3442 -1.2840 -1.2840 -1.2505 -1.2505 -1.0731 -1.0731 -1.0602 -1.0602 -0.9391 -0.9391 -0.9115 -0.9115 -0.8755 -0.8755 -0.8570 -0.8570 1.5292 1.5292 1.6127 1.6127 3.6702 3.6702 3.8543 3.8543 4.4320 4.4320 4.4662 4.4662 8.2721 8.2721 8.3465 8.3465 10.0154 10.0154 10.0586 10.0586 k = 0.3023 0.1745 0.3057 ( 3796 PWs) bands (ev): -5.4218 -5.4218 -5.4216 -5.4216 -1.3454 -1.3454 -1.3434 -1.3434 -1.2776 -1.2776 -1.2450 -1.2450 -1.0708 -1.0708 -1.0570 -1.0570 -0.9375 -0.9375 -0.9104 -0.9104 -0.8712 -0.8712 -0.8521 -0.8521 1.4439 1.4439 1.5211 1.5211 3.6729 3.6729 3.8470 3.8470 4.3995 4.3995 4.4325 4.4325 8.2281 8.2281 8.2989 8.2989 9.9517 9.9517 9.9907 9.9907 k = 0.3140 0.1813 0.3057 ( 3796 PWs) bands (ev): -5.3974 -5.3974 -5.3972 -5.3972 -1.3450 -1.3450 -1.3427 -1.3427 -1.2709 -1.2709 -1.2395 -1.2395 -1.0686 -1.0686 -1.0539 -1.0539 -0.9358 -0.9358 -0.9093 -0.9093 -0.8663 -0.8663 -0.8467 -0.8467 1.3586 1.3586 1.4298 1.4298 3.6781 3.6781 3.8421 3.8421 4.3694 4.3694 4.4010 4.4010 8.1855 8.1855 8.2529 8.2529 9.8868 9.8868 9.9221 9.9221 k = 0.3256 0.1880 0.3057 ( 3792 PWs) bands (ev): -5.3735 -5.3735 -5.3733 -5.3733 -1.3446 -1.3446 -1.3420 -1.3420 -1.2641 -1.2641 -1.2339 -1.2339 -1.0664 -1.0664 -1.0511 -1.0511 -0.9338 -0.9338 -0.9082 -0.9082 -0.8608 -0.8608 -0.8407 -0.8407 1.2741 1.2741 1.3394 1.3394 3.6852 3.6852 3.8389 3.8389 4.3417 4.3417 4.3717 4.3717 8.1446 8.1446 8.2085 8.2085 9.8220 9.8220 9.8536 9.8536 k = 0.3372 0.1947 0.3057 ( 3800 PWs) bands (ev): -5.3501 -5.3501 -5.3500 -5.3500 -1.3442 -1.3442 -1.3415 -1.3415 -1.2571 -1.2571 -1.2284 -1.2284 -1.0643 -1.0643 -1.0486 -1.0486 -0.9317 -0.9317 -0.9071 -0.9071 -0.8545 -0.8545 -0.8343 -0.8343 1.1909 1.1909 1.2507 1.2507 3.6935 3.6935 3.8367 3.8367 4.3167 4.3167 4.3448 4.3448 8.1057 8.1057 8.1662 8.1662 9.7581 9.7581 9.7864 9.7864 k = 0.3488 0.2014 0.3057 ( 3802 PWs) bands (ev): -5.3275 -5.3275 -5.3274 -5.3274 -1.3438 -1.3438 -1.3410 -1.3410 -1.2501 -1.2501 -1.2230 -1.2230 -1.0622 -1.0622 -1.0463 -1.0463 -0.9294 -0.9294 -0.9061 -0.9061 -0.8474 -0.8474 -0.8272 -0.8272 1.1097 1.1097 1.1642 1.1642 3.7025 3.7025 3.8351 3.8351 4.2945 4.2945 4.3205 4.3205 8.0689 8.0689 8.1260 8.1260 9.6959 9.6959 9.7211 9.7211 k = 0.3605 0.2081 0.3057 ( 3802 PWs) bands (ev): -5.3058 -5.3058 -5.3057 -5.3057 -1.3435 -1.3435 -1.3406 -1.3406 -1.2431 -1.2431 -1.2177 -1.2177 -1.0603 -1.0603 -1.0442 -1.0442 -0.9271 -0.9271 -0.9051 -0.9051 -0.8394 -0.8394 -0.8196 -0.8196 1.0310 1.0310 1.0805 1.0805 3.7118 3.7118 3.8336 3.8336 4.2753 4.2753 4.2989 4.2989 8.0345 8.0345 8.0880 8.0880 9.6360 9.6360 9.6584 9.6584 k = 0.3721 0.2148 0.3057 ( 3798 PWs) bands (ev): -5.2852 -5.2852 -5.2850 -5.2850 -1.3431 -1.3431 -1.3402 -1.3402 -1.2361 -1.2361 -1.2126 -1.2126 -1.0584 -1.0584 -1.0425 -1.0425 -0.9247 -0.9247 -0.9043 -0.9043 -0.8307 -0.8307 -0.8114 -0.8114 0.9554 0.9554 1.0001 1.0001 3.7209 3.7209 3.8318 3.8318 4.2590 4.2590 4.2799 4.2799 8.0025 8.0025 8.0525 8.0525 9.5791 9.5791 9.5988 9.5988 k = 0.3837 0.2215 0.3057 ( 3796 PWs) bands (ev): -5.2657 -5.2657 -5.2656 -5.2656 -1.3427 -1.3427 -1.3399 -1.3399 -1.2294 -1.2294 -1.2078 -1.2078 -1.0566 -1.0565 -1.0411 -1.0411 -0.9223 -0.9223 -0.9035 -0.9035 -0.8211 -0.8211 -0.8027 -0.8027 0.8836 0.8836 0.9237 0.9237 3.7297 3.7297 3.8295 3.8295 4.2456 4.2456 4.2636 4.2636 7.9732 7.9732 8.0194 8.0194 9.5257 9.5257 9.5429 9.5429 k = 0.3953 0.2283 0.3057 ( 3792 PWs) bands (ev): -5.2475 -5.2475 -5.2474 -5.2474 -1.3424 -1.3424 -1.3397 -1.3397 -1.2228 -1.2228 -1.2034 -1.2034 -1.0548 -1.0548 -1.0401 -1.0401 -0.9199 -0.9199 -0.9029 -0.9029 -0.8109 -0.8109 -0.7936 -0.7936 0.8161 0.8161 0.8518 0.8518 3.7379 3.7379 3.8266 3.8266 4.2348 4.2348 4.2500 4.2500 7.9466 7.9466 7.9889 7.9889 9.4761 9.4761 9.4910 9.4910 k = 0.4070 0.2350 0.3057 ( 3800 PWs) bands (ev): -5.2309 -5.2309 -5.2308 -5.2308 -1.3421 -1.3421 -1.3395 -1.3395 -1.2167 -1.2167 -1.1993 -1.1993 -1.0531 -1.0531 -1.0393 -1.0393 -0.9177 -0.9177 -0.9024 -0.9024 -0.8003 -0.8003 -0.7844 -0.7844 0.7534 0.7534 0.7849 0.7849 3.7452 3.7452 3.8229 3.8229 4.2266 4.2266 4.2388 4.2388 7.9229 7.9229 7.9611 7.9611 9.4309 9.4309 9.4436 9.4436 k = 0.4186 0.2417 0.3057 ( 3808 PWs) bands (ev): -5.2158 -5.2158 -5.2158 -5.2158 -1.3417 -1.3417 -1.3394 -1.3394 -1.2110 -1.2110 -1.1958 -1.1958 -1.0515 -1.0515 -1.0389 -1.0389 -0.9156 -0.9156 -0.9021 -0.9021 -0.7894 -0.7894 -0.7752 -0.7752 0.6962 0.6962 0.7236 0.7236 3.7518 3.7518 3.8187 3.8187 4.2205 4.2205 4.2300 4.2300 7.9020 7.9020 7.9360 7.9360 9.3902 9.3902 9.4010 9.4010 k = 0.4302 0.2484 0.3057 ( 3810 PWs) bands (ev): -5.2025 -5.2025 -5.2025 -5.2025 -1.3414 -1.3414 -1.3394 -1.3394 -1.2057 -1.2057 -1.1927 -1.1927 -1.0499 -1.0499 -1.0387 -1.0387 -0.9136 -0.9136 -0.9020 -0.9020 -0.7787 -0.7787 -0.7662 -0.7662 0.6451 0.6451 0.6685 0.6685 3.7576 3.7576 3.8140 3.8140 4.2161 4.2161 4.2233 4.2233 7.8842 7.8842 7.9137 7.9137 9.3544 9.3544 9.3634 9.3634 k = 0.4419 0.2551 0.3057 ( 3806 PWs) bands (ev): -5.1911 -5.1911 -5.1910 -5.1910 -1.3411 -1.3411 -1.3393 -1.3393 -1.2010 -1.2010 -1.1902 -1.1902 -1.0484 -1.0484 -1.0387 -1.0387 -0.9117 -0.9117 -0.9020 -0.9020 -0.7684 -0.7684 -0.7578 -0.7578 0.6008 0.6008 0.6202 0.6202 3.7628 3.7628 3.8089 3.8089 4.2132 4.2132 4.2183 4.2183 7.8694 7.8694 7.8943 7.8943 9.3238 9.3238 9.3310 9.3310 k = 0.4535 0.2618 0.3057 ( 3798 PWs) bands (ev): -5.1815 -5.1815 -5.1815 -5.1815 -1.3408 -1.3408 -1.3393 -1.3393 -1.1968 -1.1968 -1.1883 -1.1883 -1.0470 -1.0470 -1.0390 -1.0390 -0.9099 -0.9099 -0.9022 -0.9022 -0.7589 -0.7589 -0.7504 -0.7504 0.5638 0.5638 0.5793 0.5793 3.7675 3.7675 3.8038 3.8038 4.2113 4.2113 4.2148 4.2148 7.8577 7.8577 7.8779 7.8779 9.2986 9.2986 9.3042 9.3042 k = 0.4651 0.2685 0.3057 ( 3790 PWs) bands (ev): -5.1740 -5.1740 -5.1740 -5.1740 -1.3405 -1.3405 -1.3394 -1.3394 -1.1933 -1.1933 -1.1870 -1.1869 -1.0456 -1.0456 -1.0395 -1.0395 -0.9084 -0.9084 -0.9025 -0.9025 -0.7508 -0.7508 -0.7444 -0.7444 0.5347 0.5347 0.5463 0.5463 3.7718 3.7718 3.7987 3.7987 4.2102 4.2102 4.2124 4.2124 7.8492 7.8492 7.8644 7.8644 9.2789 9.2789 9.2830 9.2830 k = 0.4767 0.2752 0.3057 ( 3790 PWs) bands (ev): -5.1686 -5.1686 -5.1686 -5.1686 -1.3402 -1.3402 -1.3395 -1.3395 -1.1906 -1.1906 -1.1863 -1.1863 -1.0443 -1.0443 -1.0402 -1.0402 -0.9070 -0.9070 -0.9031 -0.9031 -0.7444 -0.7444 -0.7401 -0.7401 0.5140 0.5140 0.5218 0.5218 3.7760 3.7760 3.7937 3.7937 4.2096 4.2096 4.2109 4.2109 7.8438 7.8438 7.8541 7.8541 9.2649 9.2649 9.2676 9.2676 k = 0.4884 0.2820 0.3057 ( 3796 PWs) bands (ev): -5.1654 -5.1654 -5.1653 -5.1653 -1.3400 -1.3400 -1.3396 -1.3396 -1.1885 -1.1885 -1.1863 -1.1863 -1.0431 -1.0431 -1.0410 -1.0410 -0.9057 -0.9057 -0.9038 -0.9038 -0.7400 -0.7400 -0.7378 -0.7378 0.5022 0.5022 0.5061 0.5061 3.7802 3.7802 3.7890 3.7890 4.2094 4.2094 4.2100 4.2100 7.8416 7.8416 7.8468 7.8468 9.2567 9.2567 9.2581 9.2581 k = 0.5000 0.2887 0.3057 ( 3796 PWs) bands (ev): -5.1643 -5.1643 -5.1643 -5.1643 -1.3398 -1.3398 -1.3398 -1.3398 -1.1871 -1.1871 -1.1871 -1.1871 -1.0420 -1.0420 -1.0420 -1.0420 -0.9047 -0.9047 -0.9047 -0.9047 -0.7377 -0.7377 -0.7377 -0.7377 0.4996 0.4996 0.4996 0.4996 3.7845 3.7845 3.7845 3.7845 4.2095 4.2095 4.2095 4.2095 7.8426 7.8426 7.8426 7.8426 9.2545 9.2545 9.2545 9.2545 k = 0.5000 0.2887 0.3057 ( 3796 PWs) bands (ev): -5.1643 -5.1643 -5.1643 -5.1643 -1.3398 -1.3398 -1.3398 -1.3398 -1.1871 -1.1871 -1.1871 -1.1871 -1.0420 -1.0420 -1.0420 -1.0420 -0.9047 -0.9047 -0.9047 -0.9047 -0.7377 -0.7377 -0.7377 -0.7377 0.4996 0.4996 0.4996 0.4996 3.7845 3.7845 3.7845 3.7845 4.2095 4.2095 4.2095 4.2095 7.8426 7.8426 7.8426 7.8426 9.2545 9.2545 9.2545 9.2545 k = 0.4933 0.3002 0.3057 ( 3794 PWs) bands (ev): -5.1640 -5.1640 -5.1639 -5.1639 -1.3411 -1.3411 -1.3383 -1.3383 -1.1899 -1.1899 -1.1843 -1.1843 -1.0434 -1.0434 -1.0403 -1.0403 -0.9063 -0.9063 -0.9031 -0.9031 -0.7406 -0.7406 -0.7346 -0.7346 0.4963 0.4963 0.5037 0.5037 3.7517 3.7517 3.8082 3.8082 4.1827 4.1827 4.2338 4.2338 7.8431 7.8431 7.8551 7.8551 9.2550 9.2550 9.2622 9.2622 k = 0.4867 0.3118 0.3057 ( 3802 PWs) bands (ev): -5.1630 -5.1630 -5.1630 -5.1630 -1.3422 -1.3422 -1.3366 -1.3366 -1.1930 -1.1930 -1.1817 -1.1817 -1.0444 -1.0444 -1.0384 -1.0384 -0.9081 -0.9081 -0.9015 -0.9015 -0.7431 -0.7431 -0.7314 -0.7314 0.4940 0.4940 0.5087 0.5087 3.7110 3.7110 3.8211 3.8211 4.1554 4.1554 4.2546 4.2546 7.8563 7.8563 7.8800 7.8800 9.2639 9.2639 9.2784 9.2784 k = 0.4800 0.3233 0.3057 ( 3802 PWs) bands (ev): -5.1615 -5.1615 -5.1614 -5.1614 -1.3431 -1.3431 -1.3347 -1.3347 -1.1961 -1.1961 -1.1793 -1.1793 -1.0451 -1.0451 -1.0361 -1.0361 -0.9098 -0.9098 -0.9001 -0.9001 -0.7454 -0.7454 -0.7279 -0.7279 0.4925 0.4925 0.5147 0.5147 3.6630 3.6630 3.8204 3.8204 4.1313 4.1313 4.2716 4.2716 7.8814 7.8814 7.9161 7.9161 9.2816 9.2816 9.3034 9.3034 k = 0.4733 0.3349 0.3057 ( 3810 PWs) bands (ev): -5.1594 -5.1594 -5.1593 -5.1593 -1.3438 -1.3438 -1.3325 -1.3325 -1.1994 -1.1994 -1.1771 -1.1771 -1.0455 -1.0455 -1.0336 -1.0336 -0.9116 -0.9116 -0.8987 -0.8987 -0.7475 -0.7475 -0.7242 -0.7242 0.4917 0.4917 0.5216 0.5216 3.6082 3.6082 3.8033 3.8033 4.1140 4.1140 4.2852 4.2852 7.9169 7.9169 7.9618 7.9618 9.3085 9.3085 9.3378 9.3378 k = 0.4667 0.3464 0.3057 ( 3810 PWs) bands (ev): -5.1567 -5.1567 -5.1566 -5.1566 -1.3443 -1.3443 -1.3301 -1.3301 -1.2027 -1.2027 -1.1751 -1.1751 -1.0456 -1.0456 -1.0308 -1.0308 -0.9134 -0.9134 -0.8974 -0.8974 -0.7491 -0.7491 -0.7203 -0.7203 0.4917 0.4917 0.5293 0.5293 3.5471 3.5471 3.7692 3.7692 4.1055 4.1055 4.2961 4.2961 7.9609 7.9609 8.0149 8.0149 9.3454 9.3454 9.3824 9.3824 k = 0.4600 0.3580 0.3057 ( 3806 PWs) bands (ev): -5.1535 -5.1535 -5.1534 -5.1534 -1.3446 -1.3446 -1.3275 -1.3275 -1.2060 -1.2060 -1.1732 -1.1732 -1.0454 -1.0454 -1.0278 -1.0278 -0.9152 -0.9152 -0.8962 -0.8962 -0.7505 -0.7505 -0.7162 -0.7162 0.4923 0.4923 0.5378 0.5378 3.4804 3.4804 3.7203 3.7203 4.1049 4.1049 4.3049 4.3049 8.0112 8.0112 8.0729 8.0729 9.3933 9.3933 9.4380 9.4380 k = 0.4533 0.3695 0.3057 ( 3810 PWs) bands (ev): -5.1498 -5.1498 -5.1496 -5.1496 -1.3448 -1.3448 -1.3248 -1.3248 -1.2094 -1.2094 -1.1716 -1.1716 -1.0449 -1.0449 -1.0247 -1.0247 -0.9170 -0.9170 -0.8951 -0.8951 -0.7515 -0.7515 -0.7120 -0.7120 0.4935 0.4935 0.5470 0.5470 3.4089 3.4089 3.6603 3.6603 4.1099 4.1099 4.3123 4.3123 8.0651 8.0651 8.1333 8.1333 9.4530 9.4530 9.5054 9.5054 k = 0.4467 0.3811 0.3057 ( 3806 PWs) bands (ev): -5.1456 -5.1456 -5.1454 -5.1454 -1.3448 -1.3448 -1.3218 -1.3218 -1.2128 -1.2128 -1.1701 -1.1701 -1.0441 -1.0441 -1.0214 -1.0214 -0.9187 -0.9187 -0.8941 -0.8941 -0.7521 -0.7521 -0.7077 -0.7077 0.4951 0.4951 0.5569 0.5569 3.3335 3.3335 3.5928 3.5928 4.1184 4.1184 4.3188 4.3188 8.1204 8.1204 8.1936 8.1936 9.5255 9.5255 9.5854 9.5854 k = 0.4400 0.3926 0.3057 ( 3798 PWs) bands (ev): -5.1410 -5.1410 -5.1408 -5.1408 -1.3447 -1.3447 -1.3186 -1.3186 -1.2161 -1.2161 -1.1688 -1.1688 -1.0431 -1.0431 -1.0180 -1.0180 -0.9204 -0.9204 -0.8931 -0.8931 -0.7523 -0.7523 -0.7033 -0.7033 0.4970 0.4970 0.5673 0.5673 3.2552 3.2552 3.5205 3.5205 4.1290 4.1290 4.3249 4.3249 8.1750 8.1750 8.2516 8.2516 9.6110 9.6110 9.6782 9.6782 k = 0.4333 0.4041 0.3057 ( 3792 PWs) bands (ev): -5.1360 -5.1360 -5.1358 -5.1358 -1.3445 -1.3445 -1.3154 -1.3154 -1.2194 -1.2194 -1.1677 -1.1677 -1.0418 -1.0418 -1.0145 -1.0145 -0.9220 -0.9220 -0.8922 -0.8922 -0.7521 -0.7521 -0.6987 -0.6987 0.4990 0.4990 0.5780 0.5780 3.1751 3.1751 3.4456 3.4456 4.1406 4.1406 4.3308 4.3308 8.2270 8.2270 8.3059 8.3059 9.7097 9.7097 9.7838 9.7838 k = 0.4267 0.4157 0.3057 ( 3788 PWs) bands (ev): -5.1307 -5.1307 -5.1305 -5.1305 -1.3442 -1.3442 -1.3119 -1.3119 -1.2227 -1.2227 -1.1668 -1.1668 -1.0404 -1.0404 -1.0111 -1.0111 -0.9235 -0.9235 -0.8914 -0.8914 -0.7515 -0.7515 -0.6941 -0.6941 0.5011 0.5011 0.5891 0.5891 3.0942 3.0942 3.3697 3.3697 4.1529 4.1529 4.3368 4.3368 8.2752 8.2752 8.3552 8.3552 9.8210 9.8210 9.9012 9.9012 k = 0.4200 0.4272 0.3057 ( 3788 PWs) bands (ev): -5.1253 -5.1253 -5.1250 -5.1250 -1.3439 -1.3439 -1.3084 -1.3084 -1.2260 -1.2260 -1.1660 -1.1660 -1.0389 -1.0389 -1.0077 -1.0077 -0.9250 -0.9250 -0.8906 -0.8906 -0.7505 -0.7505 -0.6894 -0.6894 0.5031 0.5031 0.6002 0.6002 3.0136 3.0136 3.2942 3.2942 4.1654 4.1654 4.3429 4.3429 8.3189 8.3189 8.3990 8.3990 9.9435 9.9435 10.0292 10.0292 k = 0.4133 0.4388 0.3057 ( 3788 PWs) bands (ev): -5.1196 -5.1196 -5.1194 -5.1194 -1.3435 -1.3435 -1.3048 -1.3048 -1.2291 -1.2291 -1.1653 -1.1653 -1.0373 -1.0373 -1.0044 -1.0044 -0.9263 -0.9263 -0.8899 -0.8899 -0.7491 -0.7491 -0.6847 -0.6847 0.5048 0.5048 0.6111 0.6111 2.9344 2.9344 3.2204 3.2204 4.1779 4.1779 4.3492 4.3492 8.3577 8.3577 8.4372 8.4372 10.0754 10.0754 10.1654 10.1654 k = 0.4067 0.4503 0.3057 ( 3796 PWs) bands (ev): -5.1139 -5.1139 -5.1137 -5.1137 -1.3431 -1.3431 -1.3012 -1.3012 -1.2322 -1.2322 -1.1648 -1.1648 -1.0356 -1.0356 -1.0012 -1.0012 -0.9276 -0.9276 -0.8893 -0.8893 -0.7473 -0.7473 -0.6801 -0.6801 0.5061 0.5061 0.6217 0.6217 2.8576 2.8576 3.1493 3.1493 4.1903 4.1903 4.3557 4.3557 8.3915 8.3915 8.4700 8.4700 10.2136 10.2136 10.3064 10.3064 k = 0.4000 0.4619 0.3057 ( 3792 PWs) bands (ev): -5.1082 -5.1082 -5.1079 -5.1079 -1.3426 -1.3426 -1.2975 -1.2975 -1.2351 -1.2351 -1.1643 -1.1643 -1.0339 -1.0339 -0.9983 -0.9983 -0.9287 -0.9287 -0.8886 -0.8886 -0.7450 -0.7450 -0.6754 -0.6754 0.5069 0.5069 0.6317 0.6317 2.7842 2.7842 3.0818 3.0818 4.2023 4.2023 4.3623 4.3623 8.4204 8.4204 8.4977 8.4977 10.3543 10.3543 10.4470 10.4470 k = 0.3933 0.4734 0.3057 ( 3792 PWs) bands (ev): -5.1025 -5.1025 -5.1023 -5.1023 -1.3421 -1.3421 -1.2939 -1.2939 -1.2379 -1.2379 -1.1640 -1.1640 -1.0322 -1.0322 -0.9955 -0.9955 -0.9297 -0.9297 -0.8880 -0.8880 -0.7424 -0.7424 -0.6709 -0.6709 0.5070 0.5070 0.6409 0.6409 2.7150 2.7150 3.0188 3.0188 4.2138 4.2138 4.3689 4.3689 8.4447 8.4447 8.5207 8.5207 10.4911 10.4911 10.5789 10.5789 k = 0.3867 0.4850 0.3057 ( 3792 PWs) bands (ev): -5.0971 -5.0971 -5.0969 -5.0969 -1.3417 -1.3417 -1.2904 -1.2904 -1.2405 -1.2405 -1.1637 -1.1637 -1.0306 -1.0306 -0.9931 -0.9931 -0.9305 -0.9305 -0.8873 -0.8873 -0.7396 -0.7396 -0.6665 -0.6665 0.5064 0.5064 0.6490 0.6490 2.6509 2.6509 2.9609 2.9609 4.2247 4.2247 4.3754 4.3754 8.4648 8.4648 8.5394 8.5394 10.6131 10.6131 10.6914 10.6914 k = 0.3800 0.4965 0.3057 ( 3788 PWs) bands (ev): -5.0919 -5.0919 -5.0917 -5.0917 -1.3412 -1.3412 -1.2870 -1.2870 -1.2430 -1.2430 -1.1635 -1.1635 -1.0291 -1.0291 -0.9909 -0.9909 -0.9313 -0.9313 -0.8867 -0.8867 -0.7364 -0.7364 -0.6623 -0.6623 0.5052 0.5052 0.6559 0.6559 2.5927 2.5927 2.9087 2.9087 4.2348 4.2348 4.3817 4.3817 8.4809 8.4809 8.5543 8.5543 10.7026 10.7026 10.7771 10.7771 k = 0.3733 0.5081 0.3057 ( 3784 PWs) bands (ev): -5.0871 -5.0871 -5.0869 -5.0869 -1.3408 -1.3408 -1.2837 -1.2837 -1.2453 -1.2452 -1.1633 -1.1633 -1.0276 -1.0276 -0.9890 -0.9890 -0.9319 -0.9319 -0.8862 -0.8862 -0.7332 -0.7332 -0.6584 -0.6584 0.5032 0.5032 0.6615 0.6615 2.5412 2.5412 2.8628 2.8628 4.2440 4.2440 4.3877 4.3877 8.4935 8.4935 8.5657 8.5657 10.7470 10.7470 10.8354 10.8354 k = 0.3667 0.5196 0.3057 ( 3784 PWs) bands (ev): -5.0827 -5.0827 -5.0826 -5.0826 -1.3405 -1.3405 -1.2808 -1.2808 -1.2473 -1.2473 -1.1631 -1.1631 -1.0264 -1.0264 -0.9874 -0.9874 -0.9323 -0.9323 -0.8856 -0.8856 -0.7299 -0.7299 -0.6548 -0.6548 0.5007 0.5007 0.6656 0.6656 2.4969 2.4969 2.8235 2.8235 4.2522 4.2522 4.3931 4.3931 8.5029 8.5029 8.5741 8.5741 10.7584 10.7584 10.8651 10.8651 k = 0.3600 0.5312 0.3057 ( 3780 PWs) bands (ev): -5.0790 -5.0790 -5.0788 -5.0788 -1.3402 -1.3402 -1.2783 -1.2783 -1.2490 -1.2490 -1.1630 -1.1630 -1.0253 -1.0253 -0.9861 -0.9861 -0.9327 -0.9327 -0.8852 -0.8852 -0.7268 -0.7268 -0.6517 -0.6517 0.4978 0.4978 0.6683 0.6683 2.4603 2.4603 2.7912 2.7912 4.2592 4.2592 4.3979 4.3979 8.5096 8.5096 8.5799 8.5799 10.7546 10.7546 10.8734 10.8734 k = 0.3533 0.5427 0.3057 ( 3780 PWs) bands (ev): -5.0759 -5.0759 -5.0758 -5.0758 -1.3400 -1.3400 -1.2762 -1.2762 -1.2503 -1.2503 -1.1629 -1.1629 -1.0245 -1.0245 -0.9851 -0.9851 -0.9330 -0.9330 -0.8848 -0.8848 -0.7240 -0.7240 -0.6490 -0.6490 0.4948 0.4948 0.6698 0.6698 2.4317 2.4317 2.7661 2.7661 4.2648 4.2648 4.4019 4.4019 8.5139 8.5139 8.5835 8.5835 10.7458 10.7458 10.8714 10.8714 k = 0.3467 0.5543 0.3057 ( 3766 PWs) bands (ev): -5.0735 -5.0735 -5.0734 -5.0734 -1.3398 -1.3398 -1.2746 -1.2746 -1.2513 -1.2513 -1.1628 -1.1628 -1.0238 -1.0238 -0.9844 -0.9844 -0.9331 -0.9331 -0.8845 -0.8845 -0.7218 -0.7218 -0.6470 -0.6470 0.4921 0.4921 0.6702 0.6702 2.4113 2.4113 2.7482 2.7482 4.2690 4.2690 4.4049 4.4049 8.5164 8.5164 8.5854 8.5854 10.7373 10.7373 10.8664 10.8664 k = 0.3400 0.5658 0.3057 ( 3774 PWs) bands (ev): -5.0721 -5.0721 -5.0720 -5.0720 -1.3397 -1.3397 -1.2737 -1.2737 -1.2518 -1.2518 -1.1628 -1.1628 -1.0235 -1.0235 -0.9840 -0.9840 -0.9332 -0.9332 -0.8843 -0.8843 -0.7203 -0.7203 -0.6457 -0.6457 0.4901 0.4901 0.6701 0.6701 2.3992 2.3992 2.7376 2.7376 4.2716 4.2716 4.4068 4.4068 8.5175 8.5175 8.5862 8.5862 10.7315 10.7315 10.8623 10.8623 k = 0.3333 0.5774 0.3057 ( 3774 PWs) bands (ev): -5.0716 -5.0716 -5.0715 -5.0715 -1.3396 -1.3396 -1.2734 -1.2734 -1.2519 -1.2519 -1.1628 -1.1628 -1.0234 -1.0234 -0.9839 -0.9839 -0.9333 -0.9333 -0.8842 -0.8842 -0.7198 -0.7198 -0.6453 -0.6453 0.4893 0.4893 0.6699 0.6699 2.3952 2.3952 2.7341 2.7341 4.2725 4.2725 4.4075 4.4075 8.5178 8.5178 8.5863 8.5863 10.7295 10.7295 10.8608 10.8608 k = 0.3333 0.5774 0.3057 ( 3774 PWs) bands (ev): -5.0716 -5.0716 -5.0715 -5.0715 -1.3396 -1.3396 -1.2734 -1.2734 -1.2519 -1.2519 -1.1628 -1.1628 -1.0234 -1.0234 -0.9839 -0.9839 -0.9333 -0.9333 -0.8842 -0.8842 -0.7198 -0.7198 -0.6453 -0.6453 0.4893 0.4893 0.6699 0.6699 2.3952 2.3952 2.7341 2.7341 4.2725 4.2725 4.4075 4.4075 8.5178 8.5178 8.5863 8.5863 10.7295 10.7295 10.8608 10.8608 k = 0.3267 0.5658 0.3057 ( 3774 PWs) bands (ev): -5.0721 -5.0721 -5.0720 -5.0720 -1.3397 -1.3397 -1.2737 -1.2737 -1.2518 -1.2518 -1.1628 -1.1628 -1.0235 -1.0235 -0.9840 -0.9840 -0.9332 -0.9332 -0.8843 -0.8843 -0.7204 -0.7204 -0.6458 -0.6458 0.4903 0.4903 0.6703 0.6703 2.3991 2.3991 2.7375 2.7375 4.2716 4.2716 4.4068 4.4068 8.5177 8.5177 8.5863 8.5863 10.7315 10.7315 10.8623 10.8623 k = 0.3200 0.5543 0.3057 ( 3778 PWs) bands (ev): -5.0738 -5.0738 -5.0737 -5.0737 -1.3398 -1.3398 -1.2743 -1.2743 -1.2517 -1.2517 -1.1629 -1.1629 -1.0239 -1.0239 -0.9844 -0.9844 -0.9332 -0.9332 -0.8845 -0.8845 -0.7223 -0.7223 -0.6473 -0.6473 0.4935 0.4935 0.6719 0.6719 2.4105 2.4105 2.7476 2.7476 4.2688 4.2688 4.4046 4.4046 8.5177 8.5177 8.5868 8.5868 10.7374 10.7374 10.8668 10.8668 k = 0.3133 0.5427 0.3057 ( 3782 PWs) bands (ev): -5.0766 -5.0766 -5.0765 -5.0765 -1.3400 -1.3400 -1.2753 -1.2753 -1.2515 -1.2515 -1.1631 -1.1631 -1.0245 -1.0245 -0.9851 -0.9851 -0.9331 -0.9331 -0.8849 -0.8849 -0.7256 -0.7256 -0.6500 -0.6500 0.4996 0.4996 0.6754 0.6754 2.4290 2.4290 2.7642 2.7642 4.2641 4.2641 4.4009 4.4009 8.5184 8.5184 8.5883 8.5883 10.7467 10.7467 10.8734 10.8734 k = 0.3067 0.5312 0.3057 ( 3792 PWs) bands (ev): -5.0808 -5.0808 -5.0806 -5.0806 -1.3402 -1.3402 -1.2765 -1.2765 -1.2516 -1.2516 -1.1634 -1.1634 -1.0254 -1.0254 -0.9860 -0.9860 -0.9331 -0.9331 -0.8853 -0.8853 -0.7304 -0.7304 -0.6539 -0.6539 0.5089 0.5089 0.6815 0.6815 2.4541 2.4541 2.7869 2.7869 4.2574 4.2574 4.3956 4.3956 8.5201 8.5201 8.5912 8.5912 10.7584 10.7584 10.8808 10.8808 k = 0.3000 0.5196 0.3057 ( 3792 PWs) bands (ev): -5.0862 -5.0862 -5.0860 -5.0860 -1.3405 -1.3405 -1.2777 -1.2777 -1.2519 -1.2519 -1.1638 -1.1638 -1.0265 -1.0265 -0.9871 -0.9871 -0.9330 -0.9330 -0.8859 -0.8859 -0.7366 -0.7366 -0.6590 -0.6590 0.5219 0.5219 0.6907 0.6907 2.4852 2.4852 2.8153 2.8153 4.2487 4.2487 4.3886 4.3886 8.5233 8.5233 8.5960 8.5960 10.7713 10.7713 10.8873 10.8873 k = 0.2933 0.5081 0.3057 ( 3800 PWs) bands (ev): -5.0930 -5.0930 -5.0928 -5.0928 -1.3408 -1.3408 -1.2791 -1.2791 -1.2525 -1.2525 -1.1644 -1.1644 -1.0279 -1.0279 -0.9885 -0.9885 -0.9330 -0.9330 -0.8866 -0.8866 -0.7441 -0.7441 -0.6654 -0.6654 0.5390 0.5390 0.7036 0.7036 2.5220 2.5220 2.8491 2.8491 4.2381 4.2381 4.3801 4.3801 8.5282 8.5282 8.6030 8.6030 10.7841 10.7841 10.8908 10.8908 k = 0.2867 0.4965 0.3057 ( 3800 PWs) bands (ev): -5.1012 -5.1012 -5.1009 -5.1009 -1.3412 -1.3412 -1.2805 -1.2805 -1.2535 -1.2535 -1.1652 -1.1652 -1.0295 -1.0295 -0.9902 -0.9902 -0.9331 -0.9331 -0.8874 -0.8874 -0.7527 -0.7527 -0.6731 -0.6731 0.5604 0.5604 0.7205 0.7205 2.5638 2.5638 2.8879 2.8879 4.2257 4.2257 4.3699 4.3699 8.5352 8.5352 8.6125 8.6125 10.7946 10.7946 10.8889 10.8889 k = 0.2800 0.4850 0.3057 ( 3798 PWs) bands (ev): -5.1107 -5.1107 -5.1105 -5.1105 -1.3416 -1.3416 -1.2820 -1.2820 -1.2548 -1.2548 -1.1664 -1.1664 -1.0313 -1.0313 -0.9920 -0.9920 -0.9332 -0.9332 -0.8883 -0.8883 -0.7623 -0.7623 -0.6819 -0.6819 0.5863 0.5863 0.7418 0.7418 2.6103 2.6103 2.9314 2.9314 4.2114 4.2114 4.3582 4.3582 8.5445 8.5445 8.6247 8.6247 10.8003 10.8003 10.8799 10.8799 k = 0.2733 0.4734 0.3057 ( 3798 PWs) bands (ev): -5.1217 -5.1217 -5.1215 -5.1215 -1.3421 -1.3421 -1.2836 -1.2836 -1.2564 -1.2564 -1.1678 -1.1678 -1.0333 -1.0333 -0.9942 -0.9942 -0.9334 -0.9334 -0.8893 -0.8893 -0.7725 -0.7725 -0.6916 -0.6916 0.6168 0.6168 0.7676 0.7676 2.6609 2.6609 2.9792 2.9792 4.1956 4.1956 4.3451 4.3451 8.5562 8.5562 8.6398 8.6398 10.7978 10.7978 10.8639 10.8639 k = 0.2667 0.4619 0.3057 ( 3798 PWs) bands (ev): -5.1342 -5.1342 -5.1339 -5.1339 -1.3426 -1.3426 -1.2851 -1.2851 -1.2584 -1.2584 -1.1697 -1.1697 -1.0355 -1.0355 -0.9965 -0.9965 -0.9337 -0.9337 -0.8904 -0.8904 -0.7831 -0.7831 -0.7023 -0.7023 0.6519 0.6519 0.7981 0.7981 2.7152 2.7152 3.0309 3.0309 4.1782 4.1782 4.3307 4.3307 8.5703 8.5703 8.6577 8.6577 10.7835 10.7835 10.8431 10.8431 k = 0.2600 0.4503 0.3057 ( 3794 PWs) bands (ev): -5.1479 -5.1479 -5.1476 -5.1476 -1.3431 -1.3431 -1.2868 -1.2868 -1.2608 -1.2608 -1.1721 -1.1721 -1.0379 -1.0379 -0.9991 -0.9991 -0.9341 -0.9341 -0.8915 -0.8915 -0.7939 -0.7939 -0.7135 -0.7135 0.6916 0.6916 0.8332 0.8332 2.7727 2.7727 3.0863 3.0863 4.1596 4.1596 4.3153 4.3153 8.5868 8.5868 8.6786 8.6786 10.7560 10.7560 10.8194 10.8194 k = 0.2533 0.4388 0.3057 ( 3794 PWs) bands (ev): -5.1631 -5.1631 -5.1628 -5.1628 -1.3436 -1.3436 -1.2885 -1.2885 -1.2634 -1.2634 -1.1749 -1.1749 -1.0404 -1.0404 -1.0020 -1.0020 -0.9346 -0.9346 -0.8927 -0.8927 -0.8045 -0.8045 -0.7252 -0.7252 0.7357 0.7357 0.8729 0.8729 2.8332 2.8332 3.1449 3.1449 4.1399 4.1399 4.2990 4.2990 8.6057 8.6057 8.7022 8.7022 10.7181 10.7181 10.7916 10.7916 k = 0.2467 0.4272 0.3057 ( 3790 PWs) bands (ev): -5.1795 -5.1795 -5.1792 -5.1792 -1.3441 -1.3441 -1.2903 -1.2903 -1.2663 -1.2663 -1.1783 -1.1783 -1.0430 -1.0430 -1.0051 -1.0051 -0.9351 -0.9351 -0.8940 -0.8940 -0.8148 -0.8148 -0.7371 -0.7371 0.7840 0.7840 0.9171 0.9171 2.8960 2.8960 3.2065 3.2065 4.1195 4.1195 4.2821 4.2821 8.6267 8.6267 8.7284 8.7284 10.6744 10.6744 10.7585 10.7585 k = 0.2400 0.4157 0.3057 ( 3798 PWs) bands (ev): -5.1972 -5.1972 -5.1969 -5.1969 -1.3447 -1.3447 -1.2922 -1.2922 -1.2694 -1.2694 -1.1823 -1.1823 -1.0458 -1.0458 -1.0084 -1.0084 -0.9358 -0.9358 -0.8953 -0.8953 -0.8246 -0.8246 -0.7490 -0.7490 0.8365 0.8365 0.9657 0.9657 2.9609 2.9609 3.2706 3.2706 4.0986 4.0986 4.2650 4.2650 8.6496 8.6496 8.7570 8.7570 10.6278 10.6278 10.7203 10.7203 k = 0.2333 0.4041 0.3057 ( 3806 PWs) bands (ev): -5.2161 -5.2161 -5.2158 -5.2158 -1.3452 -1.3452 -1.2941 -1.2941 -1.2727 -1.2727 -1.1868 -1.1868 -1.0486 -1.0486 -1.0120 -1.0120 -0.9366 -0.9366 -0.8967 -0.8967 -0.8338 -0.8338 -0.7607 -0.7607 0.8929 0.8929 1.0185 1.0185 3.0274 3.0274 3.3370 3.3370 4.0778 4.0778 4.2480 4.2480 8.6741 8.6741 8.7877 8.7877 10.5804 10.5804 10.6783 10.6783 k = 0.2267 0.3926 0.3057 ( 3810 PWs) bands (ev): -5.2361 -5.2361 -5.2357 -5.2357 -1.3458 -1.3458 -1.2963 -1.2963 -1.2762 -1.2762 -1.1918 -1.1918 -1.0514 -1.0514 -1.0157 -1.0157 -0.9374 -0.9374 -0.8980 -0.8980 -0.8422 -0.8422 -0.7721 -0.7721 0.9528 0.9528 1.0752 1.0752 3.0949 3.0949 3.4051 3.4051 4.0574 4.0574 4.2314 4.2314 8.6998 8.6998 8.8201 8.8201 10.5335 10.5335 10.6338 10.6338 k = 0.2200 0.3811 0.3057 ( 3810 PWs) bands (ev): -5.2571 -5.2571 -5.2567 -5.2567 -1.3463 -1.3463 -1.2985 -1.2985 -1.2797 -1.2797 -1.1972 -1.1972 -1.0542 -1.0542 -1.0197 -1.0197 -0.9382 -0.9382 -0.8994 -0.8994 -0.8499 -0.8499 -0.7831 -0.7831 1.0161 1.0161 1.1356 1.1356 3.1630 3.1630 3.4746 3.4746 4.0381 4.0381 4.2159 4.2159 8.7264 8.7264 8.8539 8.8539 10.4878 10.4878 10.5879 10.5879 k = 0.2133 0.3695 0.3057 ( 3806 PWs) bands (ev): -5.2790 -5.2790 -5.2786 -5.2786 -1.3468 -1.3468 -1.3009 -1.3009 -1.2832 -1.2832 -1.2031 -1.2031 -1.0570 -1.0570 -1.0238 -1.0238 -0.9390 -0.9390 -0.9008 -0.9008 -0.8567 -0.8567 -0.7935 -0.7935 1.0825 1.0825 1.1995 1.1995 3.2310 3.2310 3.5447 3.5447 4.0207 4.0207 4.2019 4.2019 8.7533 8.7533 8.8887 8.8887 10.4439 10.4439 10.5415 10.5415 k = 0.2067 0.3580 0.3057 ( 3814 PWs) bands (ev): -5.3017 -5.3017 -5.3013 -5.3013 -1.3473 -1.3473 -1.3035 -1.3035 -1.2867 -1.2867 -1.2093 -1.2093 -1.0598 -1.0598 -1.0280 -1.0280 -0.9399 -0.9399 -0.9022 -0.9022 -0.8628 -0.8628 -0.8033 -0.8033 1.1516 1.1516 1.2665 1.2665 3.2982 3.2982 3.6145 3.6145 4.0064 4.0064 4.1902 4.1902 8.7801 8.7801 8.9238 8.9238 10.4019 10.4019 10.4952 10.4952 k = 0.2000 0.3464 0.3057 ( 3802 PWs) bands (ev): -5.3251 -5.3251 -5.3247 -5.3247 -1.3478 -1.3478 -1.3063 -1.3063 -1.2901 -1.2901 -1.2158 -1.2158 -1.0624 -1.0624 -1.0323 -1.0323 -0.9406 -0.9406 -0.9036 -0.9036 -0.8681 -0.8681 -0.8124 -0.8124 1.2230 1.2230 1.3364 1.3364 3.3636 3.3636 3.6825 3.6825 3.9971 3.9971 4.1814 4.1814 8.8062 8.8062 8.9589 8.9589 10.3617 10.3617 10.4493 10.4493 k = 0.1933 0.3349 0.3057 ( 3814 PWs) bands (ev): -5.3490 -5.3490 -5.3487 -5.3487 -1.3483 -1.3483 -1.3092 -1.3092 -1.2934 -1.2934 -1.2224 -1.2224 -1.0651 -1.0651 -1.0367 -1.0367 -0.9414 -0.9414 -0.9050 -0.9050 -0.8729 -0.8729 -0.8209 -0.8209 1.2964 1.2964 1.4088 1.4088 3.4262 3.4262 3.7459 3.7459 3.9959 3.9959 4.1768 4.1768 8.8313 8.8313 8.9933 8.9933 10.3233 10.3233 10.4042 10.4042 k = 0.1867 0.3233 0.3057 ( 3814 PWs) bands (ev): -5.3735 -5.3735 -5.3732 -5.3732 -1.3488 -1.3488 -1.3124 -1.3124 -1.2966 -1.2966 -1.2290 -1.2290 -1.0677 -1.0677 -1.0412 -1.0412 -0.9421 -0.9421 -0.9063 -0.9063 -0.8770 -0.8770 -0.8288 -0.8288 1.3714 1.3714 1.4833 1.4833 3.4846 3.4846 3.8001 3.8001 4.0080 4.0080 4.1773 4.1773 8.8548 8.8548 9.0266 9.0266 10.2860 10.2860 10.3600 10.3600 k = 0.1800 0.3118 0.3057 ( 3812 PWs) bands (ev): -5.3983 -5.3983 -5.3980 -5.3980 -1.3492 -1.3492 -1.3156 -1.3156 -1.2997 -1.2997 -1.2356 -1.2356 -1.0702 -1.0702 -1.0456 -1.0456 -0.9428 -0.9428 -0.9076 -0.9076 -0.8805 -0.8805 -0.8360 -0.8360 1.4474 1.4474 1.5594 1.5594 3.5373 3.5373 3.8401 3.8401 4.0387 4.0387 4.1843 4.1843 8.8762 8.8762 9.0582 9.0582 10.2493 10.2493 10.3170 10.3170 k = 0.1733 0.3002 0.3057 ( 3808 PWs) bands (ev): -5.4233 -5.4233 -5.4230 -5.4230 -1.3497 -1.3497 -1.3189 -1.3189 -1.3027 -1.3027 -1.2421 -1.2421 -1.0726 -1.0726 -1.0500 -1.0500 -0.9433 -0.9433 -0.9089 -0.9089 -0.8836 -0.8836 -0.8426 -0.8426 1.5240 1.5241 1.6367 1.6367 3.5832 3.5832 3.8668 3.8668 4.0875 4.0875 4.1995 4.1995 8.8952 8.8952 9.0874 9.0874 10.2125 10.2125 10.2757 10.2757 k = 0.1667 0.2887 0.3057 ( 3804 PWs) bands (ev): -5.4485 -5.4485 -5.4482 -5.4482 -1.3501 -1.3501 -1.3223 -1.3223 -1.3056 -1.3056 -1.2483 -1.2483 -1.0750 -1.0750 -1.0544 -1.0544 -0.9438 -0.9438 -0.9101 -0.9101 -0.8863 -0.8863 -0.8486 -0.8486 1.6007 1.6007 1.7145 1.7145 3.6217 3.6217 3.8867 3.8867 4.1472 4.1472 4.2244 4.2244 8.9114 8.9114 9.1138 9.1138 10.1751 10.1751 10.2363 10.2363 k = 0.1600 0.2771 0.3057 ( 3804 PWs) bands (ev): -5.4736 -5.4736 -5.4733 -5.4733 -1.3506 -1.3506 -1.3256 -1.3256 -1.3084 -1.3084 -1.2544 -1.2544 -1.0774 -1.0774 -1.0587 -1.0587 -0.9442 -0.9442 -0.9113 -0.9113 -0.8886 -0.8886 -0.8541 -0.8541 1.6769 1.6769 1.7921 1.7921 3.6533 3.6533 3.9053 3.9053 4.2101 4.2101 4.2613 4.2613 8.9243 8.9243 9.1366 9.1366 10.1369 10.1369 10.1993 10.1993 k = 0.1533 0.2656 0.3057 ( 3808 PWs) bands (ev): -5.4987 -5.4987 -5.4984 -5.4984 -1.3511 -1.3511 -1.3289 -1.3289 -1.3112 -1.3112 -1.2601 -1.2601 -1.0797 -1.0797 -1.0629 -1.0629 -0.9445 -0.9445 -0.9124 -0.9124 -0.8906 -0.8906 -0.8592 -0.8592 1.7519 1.7519 1.8690 1.8690 3.6798 3.6798 3.9253 3.9253 4.2694 4.2694 4.3130 4.3130 8.9335 8.9335 9.1552 9.1552 10.0987 10.0987 10.1648 10.1648 k = 0.1467 0.2540 0.3057 ( 3812 PWs) bands (ev): -5.5235 -5.5235 -5.5232 -5.5232 -1.3516 -1.3516 -1.3321 -1.3321 -1.3139 -1.3139 -1.2656 -1.2656 -1.0820 -1.0820 -1.0669 -1.0669 -0.9447 -0.9447 -0.9134 -0.9134 -0.8924 -0.8924 -0.8638 -0.8638 1.8251 1.8251 1.9442 1.9442 3.7041 3.7041 3.9478 3.9478 4.3251 4.3251 4.3769 4.3769 8.9388 8.9388 9.1687 9.1687 10.0615 10.0615 10.1328 10.1328 k = 0.1400 0.2425 0.3057 ( 3808 PWs) bands (ev): -5.5479 -5.5479 -5.5477 -5.5477 -1.3521 -1.3521 -1.3352 -1.3352 -1.3165 -1.3165 -1.2707 -1.2707 -1.0843 -1.0843 -1.0709 -1.0709 -0.9448 -0.9448 -0.9143 -0.9143 -0.8939 -0.8939 -0.8681 -0.8681 1.8959 1.8959 2.0169 2.0169 3.7286 3.7286 3.9736 3.9736 4.3816 4.3816 4.4455 4.4455 8.9394 8.9394 9.1760 9.1760 10.0269 10.0269 10.1037 10.1037 k = 0.1333 0.2309 0.3057 ( 3816 PWs) bands (ev): -5.5719 -5.5719 -5.5717 -5.5717 -1.3527 -1.3527 -1.3382 -1.3382 -1.3190 -1.3190 -1.2755 -1.2755 -1.0865 -1.0865 -1.0747 -1.0747 -0.9449 -0.9449 -0.9151 -0.9151 -0.8952 -0.8952 -0.8720 -0.8720 1.9636 1.9636 2.0862 2.0862 3.7557 3.7557 4.0033 4.0033 4.4407 4.4407 4.5150 4.5150 8.9349 8.9349 9.1760 9.1760 9.9966 9.9966 10.0779 10.0779 k = 0.1267 0.2194 0.3057 ( 3816 PWs) bands (ev): -5.5954 -5.5954 -5.5952 -5.5952 -1.3533 -1.3533 -1.3410 -1.3410 -1.3214 -1.3214 -1.2800 -1.2800 -1.0886 -1.0886 -1.0784 -1.0784 -0.9448 -0.9448 -0.9159 -0.9159 -0.8964 -0.8964 -0.8756 -0.8756 2.0277 2.0277 2.1512 2.1512 3.7874 3.7874 4.0377 4.0377 4.5017 4.5017 4.5840 4.5840 8.9244 8.9244 9.1673 9.1673 9.9724 9.9724 10.0564 10.0564 k = 0.1200 0.2078 0.3057 ( 3810 PWs) bands (ev): -5.6183 -5.6183 -5.6180 -5.6180 -1.3539 -1.3539 -1.3437 -1.3437 -1.3235 -1.3235 -1.2842 -1.2842 -1.0907 -1.0907 -1.0818 -1.0818 -0.9446 -0.9446 -0.9166 -0.9166 -0.8974 -0.8974 -0.8789 -0.8789 2.0876 2.0876 2.2111 2.2111 3.8249 3.8249 4.0773 4.0773 4.5640 4.5640 4.6517 4.6517 8.9074 8.9074 9.1487 9.1487 9.9559 9.9559 10.0400 10.0400 k = 0.1133 0.1963 0.3057 ( 3810 PWs) bands (ev): -5.6404 -5.6404 -5.6401 -5.6401 -1.3547 -1.3547 -1.3463 -1.3463 -1.3255 -1.3255 -1.2880 -1.2880 -1.0928 -1.0928 -1.0852 -1.0852 -0.9443 -0.9443 -0.9172 -0.9172 -0.8983 -0.8983 -0.8819 -0.8819 2.1428 2.1428 2.2653 2.2653 3.8693 3.8693 4.1226 4.1226 4.6267 4.6267 4.7175 4.7175 8.8829 8.8829 9.1194 9.1194 9.9482 9.9482 10.0298 10.0298 k = 0.1067 0.1848 0.3057 ( 3810 PWs) bands (ev): -5.6617 -5.6617 -5.6615 -5.6615 -1.3555 -1.3555 -1.3487 -1.3487 -1.3272 -1.3272 -1.2917 -1.2917 -1.0947 -1.0947 -1.0883 -1.0883 -0.9440 -0.9440 -0.9177 -0.9177 -0.8990 -0.8990 -0.8848 -0.8848 2.1932 2.1932 2.3133 2.3133 3.9211 3.9211 4.1736 4.1736 4.6893 4.6893 4.7814 4.7814 8.8504 8.8504 9.0789 9.0789 9.9498 9.9498 10.0266 10.0266 k = 0.1000 0.1732 0.3057 ( 3814 PWs) bands (ev): -5.6821 -5.6821 -5.6819 -5.6819 -1.3565 -1.3565 -1.3510 -1.3510 -1.3287 -1.3287 -1.2951 -1.2951 -1.0967 -1.0967 -1.0912 -1.0912 -0.9435 -0.9435 -0.9182 -0.9182 -0.8997 -0.8997 -0.8874 -0.8874 2.2385 2.2385 2.3549 2.3549 3.9802 3.9802 4.2302 4.2302 4.7512 4.7512 4.8429 4.8429 8.8095 8.8095 9.0276 9.0276 9.9608 9.9608 10.0311 10.0311 k = 0.0933 0.1617 0.3057 ( 3814 PWs) bands (ev): -5.7015 -5.7015 -5.7013 -5.7013 -1.3574 -1.3574 -1.3532 -1.3532 -1.3299 -1.3299 -1.2982 -1.2982 -1.0985 -1.0985 -1.0940 -1.0940 -0.9430 -0.9430 -0.9186 -0.9186 -0.9003 -0.9003 -0.8898 -0.8898 2.2788 2.2788 2.3902 2.3902 4.0463 4.0463 4.2919 4.2919 4.8121 4.8121 4.9020 4.9020 8.7600 8.7600 8.9662 8.9662 9.9804 9.9804 10.0436 10.0436 k = 0.0867 0.1501 0.3057 ( 3806 PWs) bands (ev): -5.7199 -5.7199 -5.7197 -5.7197 -1.3585 -1.3585 -1.3551 -1.3551 -1.3308 -1.3308 -1.3011 -1.3011 -1.1002 -1.1002 -1.0965 -1.0965 -0.9424 -0.9424 -0.9190 -0.9190 -0.9009 -0.9009 -0.8921 -0.8921 2.3143 2.3143 2.4196 2.4196 4.1187 4.1187 4.3580 4.3580 4.8720 4.8720 4.9587 4.9587 8.7022 8.7022 8.8957 8.8957 10.0079 10.0079 10.0640 10.0640 k = 0.0800 0.1386 0.3057 ( 3804 PWs) bands (ev): -5.7372 -5.7372 -5.7370 -5.7370 -1.3596 -1.3595 -1.3570 -1.3570 -1.3315 -1.3315 -1.3039 -1.3039 -1.1019 -1.1019 -1.0989 -1.0989 -0.9417 -0.9417 -0.9194 -0.9194 -0.9014 -0.9014 -0.8941 -0.8941 2.3451 2.3451 2.4434 2.4434 4.1962 4.1962 4.4273 4.4273 4.9306 4.9306 5.0129 5.0129 8.6368 8.6368 8.8172 8.8172 10.0422 10.0422 10.0920 10.0920 k = 0.0733 0.1270 0.3057 ( 3800 PWs) bands (ev): -5.7533 -5.7533 -5.7531 -5.7531 -1.3606 -1.3606 -1.3587 -1.3587 -1.3319 -1.3319 -1.3065 -1.3065 -1.1034 -1.1034 -1.1010 -1.1010 -0.9409 -0.9409 -0.9198 -0.9198 -0.9018 -0.9018 -0.8960 -0.8960 2.3718 2.3718 2.4624 2.4624 4.2774 4.2774 4.4984 4.4984 4.9882 4.9882 5.0648 5.0648 8.5647 8.5647 8.7323 8.7323 10.0824 10.0824 10.1270 10.1270 k = 0.0667 0.1155 0.3057 ( 3796 PWs) bands (ev): -5.7682 -5.7682 -5.7680 -5.7680 -1.3617 -1.3617 -1.3603 -1.3603 -1.3321 -1.3321 -1.3089 -1.3089 -1.1049 -1.1049 -1.1030 -1.1030 -0.9400 -0.9400 -0.9202 -0.9202 -0.9022 -0.9022 -0.8976 -0.8976 2.3946 2.3946 2.4771 2.4771 4.3607 4.3607 4.5695 4.5695 5.0450 5.0450 5.1145 5.1145 8.4873 8.4873 8.6422 8.6422 10.1276 10.1276 10.1679 10.1679 k = 0.0600 0.1039 0.3057 ( 3792 PWs) bands (ev): -5.7818 -5.7818 -5.7817 -5.7817 -1.3627 -1.3627 -1.3617 -1.3617 -1.3321 -1.3321 -1.3112 -1.3112 -1.1062 -1.1062 -1.1047 -1.1047 -0.9391 -0.9391 -0.9207 -0.9207 -0.9026 -0.9026 -0.8991 -0.8991 2.4140 2.4140 2.4881 2.4881 4.4443 4.4443 4.6387 4.6387 5.1011 5.1011 5.1624 5.1624 8.4063 8.4063 8.5488 8.5488 10.1766 10.1766 10.2135 10.2135 k = 0.0533 0.0924 0.3057 ( 3784 PWs) bands (ev): -5.7941 -5.7941 -5.7940 -5.7940 -1.3637 -1.3637 -1.3630 -1.3630 -1.3320 -1.3320 -1.3133 -1.3133 -1.1074 -1.1074 -1.1063 -1.1063 -0.9381 -0.9381 -0.9213 -0.9213 -0.9029 -0.9029 -0.9004 -0.9004 2.4305 2.4305 2.4961 2.4961 4.5263 4.5263 4.7039 4.7039 5.1568 5.1568 5.2086 5.2086 8.3236 8.3236 8.4538 8.4538 10.2285 10.2285 10.2625 10.2625 k = 0.0467 0.0808 0.3057 ( 3796 PWs) bands (ev): -5.8051 -5.8051 -5.8049 -5.8049 -1.3646 -1.3646 -1.3641 -1.3641 -1.3317 -1.3317 -1.3153 -1.3153 -1.1085 -1.1085 -1.1077 -1.1077 -0.9371 -0.9371 -0.9220 -0.9220 -0.9033 -0.9033 -0.9015 -0.9015 2.4444 2.4444 2.5015 2.5015 4.6046 4.6046 4.7631 4.7631 5.2120 5.2120 5.2534 5.2534 8.2418 8.2418 8.3593 8.3593 10.2818 10.2818 10.3130 10.3130 k = 0.0400 0.0693 0.3057 ( 3808 PWs) bands (ev): -5.8146 -5.8146 -5.8145 -5.8145 -1.3654 -1.3654 -1.3651 -1.3651 -1.3313 -1.3313 -1.3172 -1.3172 -1.1095 -1.1095 -1.1089 -1.1089 -0.9361 -0.9361 -0.9228 -0.9228 -0.9036 -0.9036 -0.9025 -0.9025 2.4562 2.4562 2.5049 2.5049 4.6773 4.6773 4.8146 4.8146 5.2659 5.2659 5.2965 5.2965 8.1633 8.1633 8.2675 8.2675 10.3350 10.3350 10.3632 10.3632 k = 0.0333 0.0577 0.3057 ( 3800 PWs) bands (ev): -5.8228 -5.8228 -5.8227 -5.8227 -1.3661 -1.3661 -1.3660 -1.3660 -1.3307 -1.3307 -1.3190 -1.3190 -1.1103 -1.1103 -1.1098 -1.1098 -0.9350 -0.9350 -0.9236 -0.9236 -0.9038 -0.9038 -0.9032 -0.9032 2.4662 2.4662 2.5065 2.5065 4.7426 4.7426 4.8572 4.8572 5.3173 5.3173 5.3378 5.3378 8.0910 8.0910 8.1811 8.1811 10.3860 10.3860 10.4104 10.4104 k = 0.0267 0.0462 0.3057 ( 3790 PWs) bands (ev): -5.8294 -5.8294 -5.8294 -5.8294 -1.3667 -1.3667 -1.3666 -1.3666 -1.3300 -1.3300 -1.3206 -1.3206 -1.1110 -1.1110 -1.1106 -1.1106 -0.9338 -0.9338 -0.9245 -0.9245 -0.9040 -0.9040 -0.9037 -0.9037 2.4747 2.4747 2.5068 2.5068 4.7991 4.7991 4.8902 4.8902 5.3642 5.3642 5.3759 5.3759 8.0281 8.0281 8.1028 8.1028 10.4321 10.4321 10.4517 10.4517 k = 0.0200 0.0346 0.3057 ( 3786 PWs) bands (ev): -5.8347 -5.8347 -5.8346 -5.8346 -1.3672 -1.3672 -1.3671 -1.3671 -1.3292 -1.3292 -1.3221 -1.3221 -1.1115 -1.1115 -1.1113 -1.1113 -0.9326 -0.9326 -0.9255 -0.9255 -0.9042 -0.9042 -0.9041 -0.9041 2.4820 2.4820 2.5059 2.5059 4.8457 4.8457 4.9134 4.9134 5.4040 5.4040 5.4094 5.4094 7.9775 7.9775 8.0353 8.0353 10.4696 10.4696 10.4827 10.4827 k = 0.0133 0.0231 0.3057 ( 3790 PWs) bands (ev): -5.8384 -5.8384 -5.8384 -5.8384 -1.3675 -1.3675 -1.3675 -1.3675 -1.3283 -1.3283 -1.3236 -1.3236 -1.1119 -1.1119 -1.1117 -1.1117 -0.9314 -0.9314 -0.9267 -0.9266 -0.9044 -0.9044 -0.9043 -0.9043 2.4881 2.4881 2.5040 2.5040 4.8821 4.8821 4.9268 4.9268 5.4343 5.4343 5.4361 5.4361 7.9420 7.9420 7.9815 7.9815 10.4943 10.4943 10.5000 10.5000 k = 0.0067 0.0115 0.3057 ( 3786 PWs) bands (ev): -5.8407 -5.8407 -5.8406 -5.8406 -1.3678 -1.3678 -1.3678 -1.3678 -1.3272 -1.3272 -1.3249 -1.3249 -1.1121 -1.1121 -1.1120 -1.1120 -0.9302 -0.9302 -0.9278 -0.9278 -0.9044 -0.9044 -0.9044 -0.9044 2.4933 2.4933 2.5012 2.5012 4.9083 4.9083 4.9304 4.9304 5.4532 5.4532 5.4534 5.4534 7.9239 7.9239 7.9440 7.9440 10.5047 10.5047 10.5060 10.5060 k = 0.0000 0.0000 0.3057 ( 3784 PWs) bands (ev): -5.8414 -5.8414 -5.8414 -5.8414 -1.3678 -1.3678 -1.3678 -1.3678 -1.3261 -1.3261 -1.3261 -1.3261 -1.1121 -1.1121 -1.1121 -1.1121 -0.9290 -0.9290 -0.9290 -0.9290 -0.9045 -0.9045 -0.9045 -0.9045 2.4977 2.4977 2.4977 2.4977 4.9243 4.9243 4.9243 4.9243 5.4595 5.4595 5.4595 5.4595 7.9245 7.9245 7.9245 7.9245 10.5070 10.5070 10.5070 10.5070 k = 0.5000 0.2887 0.3057 ( 3796 PWs) bands (ev): -5.1643 -5.1643 -5.1643 -5.1643 -1.3398 -1.3398 -1.3398 -1.3398 -1.1871 -1.1871 -1.1871 -1.1871 -1.0420 -1.0420 -1.0420 -1.0420 -0.9047 -0.9047 -0.9047 -0.9047 -0.7377 -0.7377 -0.7377 -0.7377 0.4996 0.4996 0.4996 0.4996 3.7845 3.7845 3.7845 3.7845 4.2095 4.2095 4.2095 4.2095 7.8426 7.8426 7.8426 7.8426 9.2545 9.2545 9.2545 9.2545 k = 0.5000 0.2887 0.2924 ( 3798 PWs) bands (ev): -5.1762 -5.1762 -5.1524 -5.1524 -1.3423 -1.3423 -1.3372 -1.3372 -1.1907 -1.1907 -1.1834 -1.1834 -1.0445 -1.0445 -1.0393 -1.0393 -0.9069 -0.9069 -0.9025 -0.9025 -0.7417 -0.7417 -0.7337 -0.7337 0.4744 0.4744 0.5273 0.5273 3.7300 3.7300 3.8312 3.8312 4.1563 4.1563 4.2644 4.2644 7.7993 7.7993 7.8850 7.8850 9.2522 9.2522 9.2725 9.2725 k = 0.5000 0.2887 0.2791 ( 3792 PWs) bands (ev): -5.1881 -5.1881 -5.1407 -5.1407 -1.3447 -1.3447 -1.3344 -1.3344 -1.1943 -1.1943 -1.1796 -1.1796 -1.0468 -1.0468 -1.0365 -1.0365 -0.9091 -0.9091 -0.9003 -0.9003 -0.7457 -0.7457 -0.7297 -0.7297 0.4520 0.4520 0.5574 0.5574 3.6691 3.6691 3.8670 3.8670 4.1097 4.1097 4.3178 4.3178 7.7585 7.7585 7.9231 7.9231 9.2680 9.2680 9.3040 9.3040 k = 0.5000 0.2887 0.2658 ( 3794 PWs) bands (ev): -5.2000 -5.2000 -5.1291 -5.1291 -1.3469 -1.3469 -1.3314 -1.3314 -1.1978 -1.1978 -1.1759 -1.1759 -1.0488 -1.0488 -1.0336 -1.0336 -0.9113 -0.9113 -0.8982 -0.8982 -0.7496 -0.7496 -0.7258 -0.7258 0.4324 0.4324 0.5897 0.5897 3.6022 3.6022 3.8848 3.8848 4.0785 4.0785 4.3677 4.3677 7.7233 7.7233 7.9542 7.9542 9.3032 9.3032 9.3470 9.3470 k = 0.5000 0.2887 0.2525 ( 3802 PWs) bands (ev): -5.2118 -5.2118 -5.1178 -5.1178 -1.3489 -1.3489 -1.3284 -1.3284 -1.2012 -1.2012 -1.1722 -1.1722 -1.0507 -1.0507 -1.0305 -1.0305 -0.9135 -0.9135 -0.8962 -0.8962 -0.7533 -0.7533 -0.7221 -0.7221 0.4157 0.4157 0.6241 0.6241 3.5298 3.5298 3.8769 3.8769 4.0711 4.0711 4.4128 4.4128 7.6962 7.6962 7.9765 7.9765 9.3577 9.3577 9.4004 9.4004 k = 0.5000 0.2887 0.2392 ( 3798 PWs) bands (ev): -5.2234 -5.2234 -5.1068 -5.1068 -1.3508 -1.3508 -1.3252 -1.3252 -1.2045 -1.2045 -1.1685 -1.1685 -1.0522 -1.0522 -1.0274 -1.0274 -0.9156 -0.9156 -0.8943 -0.8943 -0.7570 -0.7570 -0.7184 -0.7184 0.4020 0.4020 0.6604 0.6604 3.4526 3.4526 3.8483 3.8483 4.0828 4.0828 4.4526 4.4526 7.6794 7.6794 7.9896 7.9896 9.4269 9.4269 9.4665 9.4665 k = 0.5000 0.2887 0.2259 ( 3794 PWs) bands (ev): -5.2348 -5.2348 -5.0961 -5.0961 -1.3525 -1.3525 -1.3219 -1.3219 -1.2077 -1.2077 -1.1649 -1.1649 -1.0535 -1.0535 -1.0242 -1.0242 -0.9177 -0.9177 -0.8924 -0.8924 -0.7605 -0.7605 -0.7150 -0.7150 0.3913 0.3913 0.6983 0.6983 3.3713 3.3713 3.8110 3.8110 4.1013 4.1013 4.4869 4.4869 7.6742 7.6742 7.9941 7.9941 9.4997 9.4997 9.5534 9.5534 k = 0.5000 0.2887 0.2127 ( 3794 PWs) bands (ev): -5.2459 -5.2459 -5.0858 -5.0858 -1.3541 -1.3541 -1.3186 -1.3186 -1.2108 -1.2108 -1.1614 -1.1614 -1.0545 -1.0545 -1.0209 -1.0209 -0.9196 -0.9196 -0.8907 -0.8907 -0.7638 -0.7638 -0.7119 -0.7119 0.3837 0.3837 0.7376 0.7376 3.2870 3.2870 3.7718 3.7718 4.1188 4.1188 4.5165 4.5165 7.6815 7.6815 7.9913 7.9913 9.5701 9.5701 9.6633 9.6633 k = 0.5000 0.2887 0.1994 ( 3790 PWs) bands (ev): -5.2567 -5.2567 -5.0759 -5.0759 -1.3555 -1.3555 -1.3152 -1.3152 -1.2138 -1.2138 -1.1581 -1.1581 -1.0551 -1.0551 -1.0177 -1.0177 -0.9215 -0.9215 -0.8892 -0.8892 -0.7670 -0.7670 -0.7091 -0.7091 0.3792 0.3792 0.7780 0.7780 3.2009 3.2009 3.7334 3.7334 4.1313 4.1313 4.5425 4.5425 7.7012 7.7012 7.9831 7.9831 9.6397 9.6397 9.7906 9.7906 k = 0.5000 0.2887 0.1861 ( 3798 PWs) bands (ev): -5.2670 -5.2670 -5.0665 -5.0665 -1.3568 -1.3568 -1.3119 -1.3119 -1.2168 -1.2168 -1.1549 -1.1549 -1.0556 -1.0556 -1.0146 -1.0146 -0.9233 -0.9233 -0.8878 -0.8878 -0.7700 -0.7700 -0.7066 -0.7066 0.3777 0.3777 0.8193 0.8193 3.1140 3.1140 3.6968 3.6968 4.1365 4.1365 4.5665 4.5665 7.7329 7.7329 7.9713 7.9713 9.7085 9.7085 9.9314 9.9314 k = 0.5000 0.2887 0.1728 ( 3800 PWs) bands (ev): -5.2769 -5.2769 -5.0577 -5.0577 -1.3579 -1.3579 -1.3085 -1.3085 -1.2196 -1.2196 -1.1520 -1.1520 -1.0557 -1.0557 -1.0115 -1.0115 -0.9250 -0.9250 -0.8865 -0.8865 -0.7728 -0.7728 -0.7045 -0.7045 0.3790 0.3790 0.8610 0.8610 3.0274 3.0274 3.6626 3.6626 4.1335 4.1335 4.5897 4.5897 7.7751 7.7751 7.9579 7.9579 9.7750 9.7750 10.0830 10.0830 k = 0.5000 0.2887 0.1595 ( 3800 PWs) bands (ev): -5.2862 -5.2862 -5.0493 -5.0493 -1.3590 -1.3590 -1.3051 -1.3051 -1.2222 -1.2222 -1.1492 -1.1492 -1.0555 -1.0555 -1.0086 -1.0086 -0.9265 -0.9265 -0.8854 -0.8854 -0.7753 -0.7753 -0.7027 -0.7027 0.3831 0.3831 0.9029 0.9029 2.9420 2.9420 3.6309 3.6309 4.1221 4.1221 4.6129 4.6129 7.8243 7.8243 7.9464 7.9464 9.8370 9.8370 10.2433 10.2433 k = 0.5000 0.2887 0.1462 ( 3806 PWs) bands (ev): -5.2951 -5.2951 -5.0416 -5.0416 -1.3599 -1.3599 -1.3018 -1.3018 -1.2248 -1.2248 -1.1467 -1.1467 -1.0551 -1.0551 -1.0058 -1.0058 -0.9279 -0.9279 -0.8846 -0.8846 -0.7777 -0.7777 -0.7014 -0.7014 0.3895 0.3895 0.9445 0.9445 2.8588 2.8588 3.6018 3.6018 4.1030 4.1030 4.6365 4.6365 7.8676 7.8676 7.9492 7.9492 9.8921 9.8921 10.4107 10.4107 k = 0.5000 0.2887 0.1329 ( 3810 PWs) bands (ev): -5.3033 -5.3033 -5.0344 -5.0344 -1.3607 -1.3607 -1.2986 -1.2986 -1.2273 -1.2273 -1.1444 -1.1444 -1.0544 -1.0544 -1.0031 -1.0031 -0.9291 -0.9291 -0.8839 -0.8839 -0.7798 -0.7798 -0.7003 -0.7003 0.3982 0.3982 0.9854 0.9854 2.7786 2.7786 3.5752 3.5752 4.0776 4.0776 4.6604 4.6604 7.8779 7.8779 7.9928 7.9928 9.9375 9.9375 10.5833 10.5833 k = 0.5000 0.2887 0.1196 ( 3806 PWs) bands (ev): -5.3108 -5.3108 -5.0279 -5.0279 -1.3615 -1.3615 -1.2955 -1.2955 -1.2296 -1.2296 -1.1424 -1.1424 -1.0536 -1.0536 -1.0007 -1.0007 -0.9301 -0.9301 -0.8833 -0.8833 -0.7818 -0.7818 -0.6996 -0.6996 0.4086 0.4086 1.0250 1.0250 2.7023 2.7023 3.5512 3.5512 4.0476 4.0476 4.6842 4.6842 7.8683 7.8683 8.0627 8.0627 9.9704 9.9704 10.7594 10.7594 k = 0.5000 0.2887 0.1063 ( 3796 PWs) bands (ev): -5.3177 -5.3177 -5.0219 -5.0219 -1.3621 -1.3621 -1.2925 -1.2925 -1.2318 -1.2318 -1.1407 -1.1407 -1.0526 -1.0526 -0.9984 -0.9984 -0.9310 -0.9310 -0.8829 -0.8829 -0.7834 -0.7834 -0.6991 -0.6991 0.4203 0.4203 1.0629 1.0629 2.6308 2.6308 3.5297 3.5297 4.0148 4.0148 4.7072 4.7072 7.8548 7.8548 8.1416 8.1416 9.9887 9.9887 10.9338 10.9338 k = 0.5000 0.2887 0.0930 ( 3808 PWs) bands (ev): -5.3238 -5.3238 -5.0167 -5.0167 -1.3626 -1.3626 -1.2897 -1.2897 -1.2339 -1.2339 -1.1392 -1.1392 -1.0515 -1.0515 -0.9965 -0.9965 -0.9317 -0.9317 -0.8827 -0.8827 -0.7849 -0.7849 -0.6989 -0.6989 0.4328 0.4328 1.0984 1.0984 2.5648 2.5648 3.5109 3.5109 3.9810 3.9810 4.7290 4.7290 7.8412 7.8412 8.2240 8.2240 9.9914 9.9914 10.9675 10.9675 k = 0.5000 0.2887 0.0797 ( 3800 PWs) bands (ev): -5.3292 -5.3292 -5.0121 -5.0121 -1.3631 -1.3631 -1.2871 -1.2871 -1.2358 -1.2358 -1.1380 -1.1380 -1.0504 -1.0504 -0.9948 -0.9948 -0.9322 -0.9322 -0.8826 -0.8826 -0.7862 -0.7862 -0.6988 -0.6988 0.4455 0.4455 1.1309 1.1309 2.5053 2.5053 3.4946 3.4946 3.9479 3.9479 4.7489 4.7489 7.8285 7.8285 8.3069 8.3069 9.9792 9.9792 10.9146 10.9146 k = 0.5000 0.2887 0.0665 ( 3792 PWs) bands (ev): -5.3338 -5.3338 -5.0082 -5.0082 -1.3634 -1.3634 -1.2847 -1.2847 -1.2375 -1.2375 -1.1369 -1.1369 -1.0493 -1.0493 -0.9933 -0.9933 -0.9326 -0.9326 -0.8826 -0.8826 -0.7872 -0.7872 -0.6989 -0.6989 0.4577 0.4577 1.1599 1.1599 2.4530 2.4530 3.4809 3.4809 3.9171 3.9171 4.7665 4.7665 7.8173 7.8173 8.3873 8.3873 9.9548 9.9548 10.8677 10.8677 k = 0.5000 0.2887 0.0532 ( 3792 PWs) bands (ev): -5.3376 -5.3376 -5.0050 -5.0050 -1.3637 -1.3637 -1.2827 -1.2827 -1.2390 -1.2390 -1.1361 -1.1361 -1.0484 -1.0484 -0.9922 -0.9922 -0.9329 -0.9329 -0.8827 -0.8827 -0.7880 -0.7880 -0.6991 -0.6991 0.4689 0.4689 1.1846 1.1846 2.4089 2.4089 3.4697 3.4697 3.8898 3.8898 4.7815 4.7815 7.8079 7.8079 8.4620 8.4620 9.9226 9.9226 10.8286 10.8286 k = 0.5000 0.2887 0.0399 ( 3802 PWs) bands (ev): -5.3406 -5.3406 -5.0026 -5.0026 -1.3640 -1.3640 -1.2810 -1.2810 -1.2403 -1.2403 -1.1355 -1.1355 -1.0476 -1.0476 -0.9913 -0.9913 -0.9330 -0.9330 -0.8828 -0.8828 -0.7887 -0.7887 -0.6992 -0.6992 0.4783 0.4783 1.2046 1.2046 2.3736 2.3736 3.4611 3.4611 3.8673 3.8673 4.7935 4.7935 7.8004 7.8004 8.5271 8.5271 9.8880 9.8880 10.7979 10.7979 k = 0.5000 0.2887 0.0266 ( 3792 PWs) bands (ev): -5.3427 -5.3427 -5.0008 -5.0008 -1.3642 -1.3642 -1.2797 -1.2797 -1.2412 -1.2412 -1.1351 -1.1351 -1.0470 -1.0470 -0.9906 -0.9906 -0.9331 -0.9331 -0.8829 -0.8829 -0.7891 -0.7891 -0.6994 -0.6994 0.4855 0.4855 1.2192 1.2192 2.3478 2.3478 3.4549 3.4549 3.8505 3.8505 4.8022 4.8022 7.7950 7.7950 8.5784 8.5784 9.8571 9.8571 10.7758 10.7758 k = 0.5000 0.2887 0.0133 ( 3780 PWs) bands (ev): -5.3440 -5.3440 -4.9997 -4.9997 -1.3642 -1.3642 -1.2789 -1.2789 -1.2417 -1.2417 -1.1348 -1.1348 -1.0466 -1.0466 -0.9902 -0.9902 -0.9331 -0.9331 -0.8829 -0.8829 -0.7894 -0.7894 -0.6995 -0.6995 0.4901 0.4901 1.2282 1.2282 2.3322 2.3322 3.4512 3.4512 3.8401 3.8401 4.8075 4.8075 7.7917 7.7917 8.6116 8.6116 9.8356 9.8356 10.7625 10.7625 k = 0.5000 0.2887-0.0000 ( 3786 PWs) bands (ev): -5.3445 -5.3445 -4.9993 -4.9993 -1.3643 -1.3643 -1.2787 -1.2787 -1.2420 -1.2420 -1.1347 -1.1347 -1.0465 -1.0465 -0.9901 -0.9901 -0.9332 -0.9332 -0.8830 -0.8830 -0.7895 -0.7895 -0.6995 -0.6995 0.4916 0.4916 1.2312 1.2312 2.3269 2.3269 3.4500 3.4500 3.8366 3.8366 4.8093 4.8093 7.7907 7.7907 8.6230 8.6230 9.8279 9.8279 10.7581 10.7581 k = 0.3333 0.5774-0.0000 ( 3786 PWs) bands (ev): -5.0888 -5.0881 -5.0880 -5.0880 -1.3534 -1.3534 -1.2623 -1.2587 -1.2587 -1.2227 -1.1268 -1.1268 -1.0393 -1.0393 -0.9852 -0.9244 -0.9159 -0.9159 -0.8801 -0.8801 -0.7444 -0.7444 -0.7242 -0.6509 0.7884 0.9941 1.0940 1.0940 1.8871 1.8871 3.0719 3.2036 3.2036 3.3919 3.5772 3.5772 8.6405 8.6405 10.0568 10.6067 10.6081 10.6081 12.3494 12.5042 k = 0.3333 0.5774 0.0133 ( 3783 PWs) bands (ev): -5.0887 -5.0880 -5.0879 -5.0879 -1.3534 -1.3534 -1.2623 -1.2587 -1.2587 -1.2228 -1.1270 -1.1270 -1.0391 -1.0391 -0.9852 -0.9247 -0.9160 -0.9160 -0.8801 -0.8801 -0.7443 -0.7443 -0.7239 -0.6509 0.7865 0.9912 1.0914 1.0914 1.8885 1.8885 3.0772 3.2067 3.2067 3.3961 3.5766 3.5766 8.6456 8.6456 10.0492 10.5963 10.5968 10.5968 12.2989 12.4736 k = 0.3333 0.5774 0.0266 ( 3783 PWs) bands (ev): -5.0884 -5.0878 -5.0877 -5.0877 -1.3532 -1.3532 -1.2623 -1.2589 -1.2589 -1.2230 -1.1277 -1.1277 -1.0388 -1.0388 -0.9853 -0.9255 -0.9162 -0.9162 -0.8802 -0.8802 -0.7440 -0.7440 -0.7229 -0.6506 0.7809 0.9824 1.0837 1.0837 1.8927 1.8927 3.0931 3.2154 3.2154 3.4087 3.5751 3.5751 8.6607 8.6607 10.0266 10.5633 10.5633 10.5651 12.2038 12.3995 k = 0.3333 0.5774 0.0399 ( 3783 PWs) bands (ev): -5.0881 -5.0874 -5.0873 -5.0873 -1.3530 -1.3530 -1.2623 -1.2591 -1.2591 -1.2233 -1.1287 -1.1287 -1.0383 -1.0383 -0.9855 -0.9268 -0.9165 -0.9165 -0.8803 -0.8803 -0.7435 -0.7435 -0.7213 -0.6502 0.7719 0.9683 1.0711 1.0711 1.8997 1.8997 3.1191 3.2285 3.2285 3.4293 3.5739 3.5739 8.6858 8.6858 9.9892 10.5084 10.5084 10.5136 12.1074 12.3168 k = 0.3333 0.5774 0.0532 ( 3795 PWs) bands (ev): -5.0875 -5.0869 -5.0868 -5.0868 -1.3526 -1.3526 -1.2624 -1.2595 -1.2595 -1.2239 -1.1301 -1.1301 -1.0377 -1.0377 -0.9857 -0.9287 -0.9170 -0.9170 -0.8805 -0.8805 -0.7429 -0.7429 -0.7192 -0.6497 0.7596 0.9492 1.0542 1.0542 1.9095 1.9095 3.1546 3.2435 3.2435 3.4577 3.5751 3.5751 8.7206 8.7206 9.9377 10.4337 10.4337 10.4425 12.0210 12.2361 k = 0.3333 0.5774 0.0665 ( 3789 PWs) bands (ev): -5.0869 -5.0862 -5.0862 -5.0862 -1.3521 -1.3521 -1.2624 -1.2599 -1.2599 -1.2245 -1.1318 -1.1318 -1.0369 -1.0369 -0.9860 -0.9309 -0.9175 -0.9175 -0.8807 -0.8807 -0.7420 -0.7420 -0.7165 -0.6490 0.7445 0.9260 1.0336 1.0336 1.9219 1.9219 3.1987 3.2567 3.2567 3.4931 3.5817 3.5817 8.7650 8.7650 9.8729 10.3417 10.3417 10.3536 11.9480 12.1456 k = 0.3333 0.5774 0.0797 ( 3789 PWs) bands (ev): -5.0861 -5.0855 -5.0854 -5.0854 -1.3516 -1.3516 -1.2624 -1.2605 -1.2605 -1.2253 -1.1337 -1.1337 -1.0359 -1.0359 -0.9863 -0.9336 -0.9182 -0.9182 -0.8809 -0.8809 -0.7409 -0.7409 -0.7133 -0.6482 0.7270 0.8993 1.0099 1.0099 1.9369 1.9369 3.2506 3.2642 3.2642 3.5351 3.5972 3.5972 8.8187 8.8187 9.7961 10.2351 10.2351 10.2493 11.8887 12.0670 k = 0.3333 0.5774 0.0930 ( 3798 PWs) bands (ev): -5.0852 -5.0846 -5.0845 -5.0845 -1.3509 -1.3509 -1.2625 -1.2611 -1.2611 -1.2263 -1.1359 -1.1359 -1.0349 -1.0349 -0.9867 -0.9365 -0.9190 -0.9190 -0.8812 -0.8812 -0.7398 -0.7398 -0.7097 -0.6473 0.7076 0.8700 0.9839 0.9839 1.9545 1.9545 3.2627 3.2627 3.3092 3.5827 3.6242 3.6242 8.8813 8.8813 9.7089 10.1172 10.1172 10.1326 11.8418 11.9996 k = 0.3333 0.5774 0.1063 ( 3786 PWs) bands (ev): -5.0842 -5.0836 -5.0836 -5.0836 -1.3502 -1.3502 -1.2625 -1.2618 -1.2618 -1.2273 -1.1382 -1.1382 -1.0339 -1.0339 -0.9871 -0.9397 -0.9199 -0.9199 -0.8815 -0.8815 -0.7384 -0.7384 -0.7058 -0.6463 0.6869 0.8388 0.9562 0.9562 1.9745 1.9745 3.2512 3.2512 3.3734 3.6353 3.6632 3.6632 8.9524 8.9524 9.6132 9.9911 9.9911 10.0067 11.8058 11.9430 k = 0.3333 0.5774 0.1196 ( 3786 PWs) bands (ev): -5.0831 -5.0826 -5.0826 -5.0826 -1.3494 -1.3494 -1.2626 -1.2626 -1.2624 -1.2285 -1.1406 -1.1406 -1.0328 -1.0328 -0.9874 -0.9431 -0.9209 -0.9209 -0.8818 -0.8818 -0.7369 -0.7369 -0.7015 -0.6453 0.6653 0.8064 0.9276 0.9276 1.9968 1.9968 3.2306 3.2306 3.4423 3.6917 3.7125 3.7125 9.0315 9.0315 9.5111 9.8598 9.8598 9.8745 11.7788 11.8962 k = 0.3333 0.5774 0.1329 ( 3798 PWs) bands (ev): -5.0820 -5.0815 -5.0815 -5.0815 -1.3486 -1.3486 -1.2635 -1.2635 -1.2624 -1.2298 -1.1431 -1.1431 -1.0317 -1.0317 -0.9878 -0.9467 -0.9221 -0.9221 -0.8821 -0.8821 -0.7354 -0.7354 -0.6971 -0.6443 0.6433 0.7736 0.8985 0.8985 2.0214 2.0214 3.2028 3.2028 3.5147 3.7512 3.7697 3.7697 9.1183 9.1183 9.4048 9.7261 9.7261 9.7390 11.7590 11.8581 k = 0.3333 0.5774 0.1462 ( 3798 PWs) bands (ev): -5.0808 -5.0804 -5.0804 -5.0803 -1.3477 -1.3477 -1.2644 -1.2644 -1.2622 -1.2312 -1.1456 -1.1456 -1.0306 -1.0306 -0.9882 -0.9503 -0.9232 -0.9232 -0.8824 -0.8824 -0.7337 -0.7337 -0.6925 -0.6433 0.6214 0.7408 0.8697 0.8697 2.0481 2.0481 3.1694 3.1694 3.5896 3.8126 3.8325 3.8325 9.2115 9.2115 9.2964 9.5930 9.5930 9.6026 11.7449 11.8275 k = 0.3333 0.5774 0.1595 ( 3786 PWs) bands (ev): -5.0797 -5.0793 -5.0793 -5.0792 -1.3467 -1.3467 -1.2654 -1.2654 -1.2619 -1.2327 -1.1480 -1.1480 -1.0296 -1.0296 -0.9885 -0.9538 -0.9244 -0.9244 -0.8826 -0.8826 -0.7320 -0.7320 -0.6878 -0.6422 0.6001 0.7086 0.8416 0.8416 2.0767 2.0767 3.1319 3.1319 3.6659 3.8749 3.8987 3.8987 9.1880 9.3069 9.3069 9.4665 9.4665 9.4673 11.7354 11.8034 k = 0.3333 0.5774 0.1728 ( 3792 PWs) bands (ev): -5.0785 -5.0781 -5.0781 -5.0781 -1.3458 -1.3458 -1.2664 -1.2664 -1.2616 -1.2343 -1.1503 -1.1503 -1.0286 -1.0286 -0.9888 -0.9574 -0.9256 -0.9256 -0.8829 -0.8829 -0.7304 -0.7304 -0.6830 -0.6413 0.5797 0.6775 0.8146 0.8146 2.1073 2.1073 3.0913 3.0913 3.7425 3.9369 3.9665 3.9665 9.0817 9.3126 9.3126 9.3352 9.4401 9.4401 11.7292 11.7847 k = 0.3333 0.5774 0.1861 ( 3798 PWs) bands (ev): -5.0774 -5.0771 -5.0771 -5.0770 -1.3449 -1.3449 -1.2674 -1.2674 -1.2612 -1.2360 -1.1525 -1.1525 -1.0277 -1.0277 -0.9890 -0.9609 -0.9268 -0.9268 -0.8832 -0.8832 -0.7287 -0.7287 -0.6783 -0.6406 0.5605 0.6479 0.7891 0.7891 2.1394 2.1394 3.0485 3.0485 3.8184 3.9974 4.0343 4.0343 8.9794 9.1982 9.1982 9.2079 9.5455 9.5455 11.7257 11.7704 k = 0.3333 0.5774 0.1994 ( 3792 PWs) bands (ev): -5.0763 -5.0760 -5.0760 -5.0759 -1.3440 -1.3440 -1.2685 -1.2685 -1.2607 -1.2378 -1.1546 -1.1546 -1.0268 -1.0268 -0.9890 -0.9643 -0.9280 -0.9280 -0.8834 -0.8834 -0.7271 -0.7271 -0.6737 -0.6399 0.5430 0.6201 0.7655 0.7655 2.1730 2.1730 3.0044 3.0044 3.8924 4.0552 4.1006 4.1006 8.8830 9.0834 9.0834 9.0869 9.6642 9.6642 11.7242 11.7598 k = 0.3333 0.5774 0.2127 ( 3792 PWs) bands (ev): -5.0753 -5.0751 -5.0751 -5.0749 -1.3431 -1.3431 -1.2695 -1.2695 -1.2600 -1.2396 -1.1564 -1.1564 -1.0261 -1.0261 -0.9890 -0.9675 -0.9291 -0.9291 -0.8836 -0.8836 -0.7255 -0.7255 -0.6692 -0.6395 0.5275 0.5944 0.7440 0.7440 2.2076 2.2076 2.9596 2.9596 3.9632 4.1090 4.1639 4.1639 8.7944 8.9740 8.9762 8.9762 9.7894 9.7894 11.7240 11.7520 k = 0.3333 0.5774 0.2259 ( 3792 PWs) bands (ev): -5.0743 -5.0742 -5.0742 -5.0741 -1.3423 -1.3423 -1.2704 -1.2704 -1.2593 -1.2414 -1.1581 -1.1581 -1.0254 -1.0254 -0.9889 -0.9706 -0.9301 -0.9301 -0.8838 -0.8838 -0.7241 -0.7241 -0.6648 -0.6394 0.5141 0.5711 0.7249 0.7249 2.2428 2.2428 2.9151 2.9151 4.0297 4.1575 4.2227 4.2227 8.7152 8.8704 8.8789 8.8789 9.9201 9.9201 11.7244 11.7248 k = 0.3333 0.5774 0.2392 ( 3780 PWs) bands (ev): -5.0735 -5.0734 -5.0734 -5.0733 -1.3415 -1.3415 -1.2712 -1.2712 -1.2583 -1.2432 -1.1595 -1.1595 -1.0247 -1.0247 -0.9885 -0.9734 -0.9310 -0.9310 -0.8839 -0.8839 -0.7228 -0.7228 -0.6607 -0.6394 0.5030 0.5503 0.7085 0.7085 2.2779 2.2779 2.8716 2.8716 4.0907 4.1994 4.2755 4.2755 8.6471 8.7776 8.7933 8.7933 10.0555 10.0555 11.5758 11.5758 k = 0.3333 0.5774 0.2525 ( 3771 PWs) bands (ev): -5.0728 -5.0728 -5.0728 -5.0726 -1.3408 -1.3408 -1.2720 -1.2720 -1.2573 -1.2451 -1.1606 -1.1606 -1.0242 -1.0242 -0.9880 -0.9760 -0.9318 -0.9318 -0.8840 -0.8840 -0.7217 -0.7217 -0.6569 -0.6399 0.4946 0.5322 0.6948 0.6948 2.3121 2.3121 2.8304 2.8304 4.1448 4.2334 4.3210 4.3210 8.5916 8.6969 8.7209 8.7209 10.1951 10.1951 11.4230 11.4230 k = 0.3333 0.5774 0.2658 ( 3768 PWs) bands (ev): -5.0723 -5.0722 -5.0722 -5.0721 -1.3403 -1.3403 -1.2726 -1.2726 -1.2561 -1.2469 -1.1616 -1.1616 -1.0238 -1.0238 -0.9873 -0.9783 -0.9324 -0.9324 -0.8841 -0.8841 -0.7209 -0.7209 -0.6535 -0.6406 0.4889 0.5170 0.6840 0.6840 2.3436 2.3436 2.7932 2.7932 4.1910 4.2585 4.3579 4.3579 8.5500 8.6297 8.6630 8.6630 10.3383 10.3383 11.2684 11.2684 k = 0.3333 0.5774 0.2791 ( 3762 PWs) bands (ev): -5.0719 -5.0719 -5.0718 -5.0717 -1.3399 -1.3399 -1.2730 -1.2730 -1.2548 -1.2486 -1.1623 -1.1623 -1.0236 -1.0236 -0.9863 -0.9804 -0.9329 -0.9329 -0.8842 -0.8842 -0.7202 -0.7202 -0.6503 -0.6418 0.4861 0.5048 0.6762 0.6762 2.3702 2.3702 2.7625 2.7625 4.2283 4.2738 4.3852 4.3852 8.5234 8.5768 8.6207 8.6207 10.4838 10.4838 11.1139 11.1139 k = 0.3333 0.5774 0.2924 ( 3768 PWs) bands (ev): -5.0716 -5.0716 -5.0716 -5.0715 -1.3397 -1.3397 -1.2733 -1.2733 -1.2535 -1.2503 -1.1627 -1.1627 -1.0234 -1.0234 -0.9852 -0.9823 -0.9332 -0.9332 -0.8842 -0.8842 -0.7199 -0.7199 -0.6476 -0.6433 0.4862 0.4955 0.6715 0.6715 2.3886 2.3886 2.7416 2.7416 4.2556 4.2785 4.4019 4.4019 8.5125 8.5393 8.5949 8.5949 10.6283 10.6283 10.9638 10.9638 k = 0.3333 0.5774 0.3057 ( 3774 PWs) bands (ev): -5.0716 -5.0716 -5.0715 -5.0715 -1.3396 -1.3396 -1.2734 -1.2734 -1.2519 -1.2519 -1.1628 -1.1628 -1.0234 -1.0234 -0.9839 -0.9839 -0.9333 -0.9333 -0.8842 -0.8842 -0.7198 -0.7198 -0.6453 -0.6453 0.4893 0.4893 0.6699 0.6699 2.3952 2.3952 2.7341 2.7341 4.2725 4.2725 4.4075 4.4075 8.5178 8.5178 8.5863 8.5863 10.7295 10.7295 10.8608 10.8608 Writing output data file ZnTe.save init_run : 3.16s CPU 13.60s WALL ( 1 calls) electrons : 405.67s CPU 411.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 405.65s CPU 410.85s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.82s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.45s WALL ( 1 calls) newd : 0.40s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.29s WALL ( 314 calls) cegterg : 380.16s CPU 382.58s WALL ( 633 calls) Called by sum_band: Called by *egterg: h_psi : 192.24s CPU 197.59s WALL ( 9230 calls) s_psi : 22.46s CPU 22.63s WALL ( 9230 calls) g_psi : 0.47s CPU 0.48s WALL ( 8283 calls) cdiaghg : 121.48s CPU 119.74s WALL ( 8597 calls) cegterg:over : 30.39s CPU 27.96s WALL ( 8283 calls) cegterg:upda : 6.01s CPU 8.45s WALL ( 8283 calls) cegterg:last : 5.09s CPU 5.69s WALL ( 1580 calls) Called by h_psi: h_psi:vloc : 150.65s CPU 154.77s WALL ( 9230 calls) h_psi:vnl : 41.39s CPU 42.36s WALL ( 9230 calls) add_vuspsi : 14.46s CPU 17.47s WALL ( 9230 calls) General routines calbec : 26.89s CPU 24.83s WALL ( 9230 calls) fft : 0.38s CPU 1.44s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 143.66s CPU 146.75s WALL ( 880656 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.05s CPU 0.87s WALL ( 628 calls) Parallel routines fft_scatter : 92.57s CPU 93.19s WALL ( 880679 calls) PWSCF : 7m28.74s CPU 8m35.72s WALL This run was terminated on: 15:45: 2 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=