Program PWSCF v.5.1.1 starts on 8Oct2015 at 22:35:11 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: ./LiMnSe2.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 72 37 10 5436 1987 294 Max 73 38 11 5447 2015 301 Sum 3463 1789 499 261107 96009 14245 bravais-lattice index = 14 lattice parameter (alat) = 7.9189 a.u. unit-cell volume = 679.3761 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.918897 celldm(2)= 1.000000 celldm(3)= 1.579740 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 1.579740 ) 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 0.633016 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Se 6.00 78.96000 Se( 1.00) Li 3.00 6.94100 Li( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -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 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 319 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0031348 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0031348 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0031348 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0031348 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0031348 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0031348 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0031348 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0031348 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0031348 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0031348 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0031348 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0031348 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0031348 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0031348 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0031348 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0031348 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0031348 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0031348 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0031348 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0031348 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0031348 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031348 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0031348 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0031348 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0031348 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0031348 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0031348 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0031348 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0031348 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0031348 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0031348 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0031348 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0031348 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0031348 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0031348 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0031348 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0031348 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0031348 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0031348 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0031348 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0031348 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0031348 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0031348 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0031348 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0031348 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0031348 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0031348 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0031348 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0031348 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0031348 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0031348 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0031348 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0031348 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0031348 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0031348 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0031348 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0031348 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0031348 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0031348 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0031348 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0031348 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0031348 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0031348 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0031348 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0031348 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0031348 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0031348 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0031348 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0031348 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0031348 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0031348 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0031348 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0031348 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0031348 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0031348 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0031348 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0031348 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0031348 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0031348 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0031348 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0031348 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0031348 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0031348 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0031348 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0031348 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0031348 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0031348 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0031348 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0031348 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0031348 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0031348 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031348 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0031348 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0031348 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0031348 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0031348 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0031348 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0031348 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0031348 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0031348 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0031348 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0031348 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0031348 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0031348 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0031348 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0031348 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0031348 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0031348 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0031348 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0031348 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0031348 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0031348 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0031348 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0031348 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0031348 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0031348 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 124) = ( 0.0000000 0.0000000 0.0131878), wk = 0.0031348 k( 125) = ( 0.0000000 0.0000000 0.0263757), wk = 0.0031348 k( 126) = ( 0.0000000 0.0000000 0.0395635), wk = 0.0031348 k( 127) = ( 0.0000000 0.0000000 0.0527513), wk = 0.0031348 k( 128) = ( 0.0000000 0.0000000 0.0659391), wk = 0.0031348 k( 129) = ( 0.0000000 0.0000000 0.0791270), wk = 0.0031348 k( 130) = ( 0.0000000 0.0000000 0.0923148), wk = 0.0031348 k( 131) = ( 0.0000000 0.0000000 0.1055026), wk = 0.0031348 k( 132) = ( 0.0000000 0.0000000 0.1186904), wk = 0.0031348 k( 133) = ( 0.0000000 0.0000000 0.1318782), wk = 0.0031348 k( 134) = ( 0.0000000 0.0000000 0.1450661), wk = 0.0031348 k( 135) = ( 0.0000000 0.0000000 0.1582539), wk = 0.0031348 k( 136) = ( 0.0000000 0.0000000 0.1714417), wk = 0.0031348 k( 137) = ( 0.0000000 0.0000000 0.1846296), wk = 0.0031348 k( 138) = ( 0.0000000 0.0000000 0.1978174), wk = 0.0031348 k( 139) = ( 0.0000000 0.0000000 0.2110052), wk = 0.0031348 k( 140) = ( 0.0000000 0.0000000 0.2241930), wk = 0.0031348 k( 141) = ( 0.0000000 0.0000000 0.2373809), wk = 0.0031348 k( 142) = ( 0.0000000 0.0000000 0.2505687), wk = 0.0031348 k( 143) = ( 0.0000000 0.0000000 0.2637565), wk = 0.0031348 k( 144) = ( 0.0000000 0.0000000 0.2769443), wk = 0.0031348 k( 145) = ( 0.0000000 0.0000000 0.2901321), wk = 0.0031348 k( 146) = ( 0.0000000 0.0000000 0.3033200), wk = 0.0031348 k( 147) = ( 0.0000000 0.0000000 0.3165078), wk = 0.0031348 k( 148) = ( 0.0000000 0.0000000 0.3165078), wk = 0.0031348 k( 149) = ( 0.0113636 0.0065608 0.3165078), wk = 0.0031348 k( 150) = ( 0.0227273 0.0131216 0.3165078), wk = 0.0031348 k( 151) = ( 0.0340909 0.0196824 0.3165078), wk = 0.0031348 k( 152) = ( 0.0454546 0.0262432 0.3165078), wk = 0.0031348 k( 153) = ( 0.0568182 0.0328040 0.3165078), wk = 0.0031348 k( 154) = ( 0.0681818 0.0393648 0.3165078), wk = 0.0031348 k( 155) = ( 0.0795455 0.0459256 0.3165078), wk = 0.0031348 k( 156) = ( 0.0909091 0.0524864 0.3165078), wk = 0.0031348 k( 157) = ( 0.1022727 0.0590472 0.3165078), wk = 0.0031348 k( 158) = ( 0.1136364 0.0656080 0.3165078), wk = 0.0031348 k( 159) = ( 0.1250000 0.0721688 0.3165078), wk = 0.0031348 k( 160) = ( 0.1363636 0.0787296 0.3165078), wk = 0.0031348 k( 161) = ( 0.1477273 0.0852904 0.3165078), wk = 0.0031348 k( 162) = ( 0.1590909 0.0918512 0.3165078), wk = 0.0031348 k( 163) = ( 0.1704546 0.0984120 0.3165078), wk = 0.0031348 k( 164) = ( 0.1818182 0.1049728 0.3165078), wk = 0.0031348 k( 165) = ( 0.1931818 0.1115336 0.3165078), wk = 0.0031348 k( 166) = ( 0.2045454 0.1180944 0.3165078), wk = 0.0031348 k( 167) = ( 0.2159091 0.1246552 0.3165078), wk = 0.0031348 k( 168) = ( 0.2272727 0.1312160 0.3165078), wk = 0.0031348 k( 169) = ( 0.2386364 0.1377768 0.3165078), wk = 0.0031348 k( 170) = ( 0.2500000 0.1443376 0.3165078), wk = 0.0031348 k( 171) = ( 0.2613636 0.1508984 0.3165078), wk = 0.0031348 k( 172) = ( 0.2727273 0.1574592 0.3165078), wk = 0.0031348 k( 173) = ( 0.2840909 0.1640200 0.3165078), wk = 0.0031348 k( 174) = ( 0.2954545 0.1705808 0.3165078), wk = 0.0031348 k( 175) = ( 0.3068182 0.1771416 0.3165078), wk = 0.0031348 k( 176) = ( 0.3181818 0.1837024 0.3165078), wk = 0.0031348 k( 177) = ( 0.3295455 0.1902632 0.3165078), wk = 0.0031348 k( 178) = ( 0.3409091 0.1968240 0.3165078), wk = 0.0031348 k( 179) = ( 0.3522727 0.2033848 0.3165078), wk = 0.0031348 k( 180) = ( 0.3636364 0.2099456 0.3165078), wk = 0.0031348 k( 181) = ( 0.3750000 0.2165064 0.3165078), wk = 0.0031348 k( 182) = ( 0.3863636 0.2230672 0.3165078), wk = 0.0031348 k( 183) = ( 0.3977273 0.2296279 0.3165078), wk = 0.0031348 k( 184) = ( 0.4090909 0.2361887 0.3165078), wk = 0.0031348 k( 185) = ( 0.4204545 0.2427495 0.3165078), wk = 0.0031348 k( 186) = ( 0.4318182 0.2493103 0.3165078), wk = 0.0031348 k( 187) = ( 0.4431818 0.2558711 0.3165078), wk = 0.0031348 k( 188) = ( 0.4545455 0.2624319 0.3165078), wk = 0.0031348 k( 189) = ( 0.4659091 0.2689927 0.3165078), wk = 0.0031348 k( 190) = ( 0.4772727 0.2755535 0.3165078), wk = 0.0031348 k( 191) = ( 0.4886364 0.2821143 0.3165078), wk = 0.0031348 k( 192) = ( 0.5000000 0.2886751 0.3165078), wk = 0.0031348 k( 193) = ( 0.5000000 0.2886751 0.3165078), wk = 0.0031348 k( 194) = ( 0.4933333 0.3002221 0.3165078), wk = 0.0031348 k( 195) = ( 0.4866667 0.3117692 0.3165078), wk = 0.0031348 k( 196) = ( 0.4800000 0.3233162 0.3165078), wk = 0.0031348 k( 197) = ( 0.4733333 0.3348632 0.3165078), wk = 0.0031348 k( 198) = ( 0.4666667 0.3464102 0.3165078), wk = 0.0031348 k( 199) = ( 0.4600000 0.3579572 0.3165078), wk = 0.0031348 k( 200) = ( 0.4533333 0.3695042 0.3165078), wk = 0.0031348 k( 201) = ( 0.4466667 0.3810512 0.3165078), wk = 0.0031348 k( 202) = ( 0.4400000 0.3925982 0.3165078), wk = 0.0031348 k( 203) = ( 0.4333333 0.4041452 0.3165078), wk = 0.0031348 k( 204) = ( 0.4266667 0.4156922 0.3165078), wk = 0.0031348 k( 205) = ( 0.4200000 0.4272392 0.3165078), wk = 0.0031348 k( 206) = ( 0.4133333 0.4387862 0.3165078), wk = 0.0031348 k( 207) = ( 0.4066667 0.4503332 0.3165078), wk = 0.0031348 k( 208) = ( 0.4000000 0.4618802 0.3165078), wk = 0.0031348 k( 209) = ( 0.3933333 0.4734272 0.3165078), wk = 0.0031348 k( 210) = ( 0.3866667 0.4849742 0.3165078), wk = 0.0031348 k( 211) = ( 0.3800000 0.4965212 0.3165078), wk = 0.0031348 k( 212) = ( 0.3733333 0.5080682 0.3165078), wk = 0.0031348 k( 213) = ( 0.3666667 0.5196152 0.3165078), wk = 0.0031348 k( 214) = ( 0.3600000 0.5311622 0.3165078), wk = 0.0031348 k( 215) = ( 0.3533333 0.5427092 0.3165078), wk = 0.0031348 k( 216) = ( 0.3466667 0.5542563 0.3165078), wk = 0.0031348 k( 217) = ( 0.3400000 0.5658033 0.3165078), wk = 0.0031348 k( 218) = ( 0.3333333 0.5773503 0.3165078), wk = 0.0031348 k( 219) = ( 0.3333333 0.5773503 0.3165078), wk = 0.0031348 k( 220) = ( 0.3266667 0.5658033 0.3165078), wk = 0.0031348 k( 221) = ( 0.3200000 0.5542563 0.3165078), wk = 0.0031348 k( 222) = ( 0.3133333 0.5427092 0.3165078), wk = 0.0031348 k( 223) = ( 0.3066667 0.5311623 0.3165078), wk = 0.0031348 k( 224) = ( 0.3000000 0.5196152 0.3165078), wk = 0.0031348 k( 225) = ( 0.2933333 0.5080682 0.3165078), wk = 0.0031348 k( 226) = ( 0.2866667 0.4965212 0.3165078), wk = 0.0031348 k( 227) = ( 0.2800000 0.4849742 0.3165078), wk = 0.0031348 k( 228) = ( 0.2733333 0.4734272 0.3165078), wk = 0.0031348 k( 229) = ( 0.2666667 0.4618802 0.3165078), wk = 0.0031348 k( 230) = ( 0.2600000 0.4503332 0.3165078), wk = 0.0031348 k( 231) = ( 0.2533333 0.4387862 0.3165078), wk = 0.0031348 k( 232) = ( 0.2466667 0.4272392 0.3165078), wk = 0.0031348 k( 233) = ( 0.2400000 0.4156922 0.3165078), wk = 0.0031348 k( 234) = ( 0.2333333 0.4041452 0.3165078), wk = 0.0031348 k( 235) = ( 0.2266667 0.3925982 0.3165078), wk = 0.0031348 k( 236) = ( 0.2200000 0.3810512 0.3165078), wk = 0.0031348 k( 237) = ( 0.2133333 0.3695042 0.3165078), wk = 0.0031348 k( 238) = ( 0.2066667 0.3579572 0.3165078), wk = 0.0031348 k( 239) = ( 0.2000000 0.3464102 0.3165078), wk = 0.0031348 k( 240) = ( 0.1933333 0.3348632 0.3165078), wk = 0.0031348 k( 241) = ( 0.1866667 0.3233162 0.3165078), wk = 0.0031348 k( 242) = ( 0.1800000 0.3117691 0.3165078), wk = 0.0031348 k( 243) = ( 0.1733333 0.3002221 0.3165078), wk = 0.0031348 k( 244) = ( 0.1666667 0.2886751 0.3165078), wk = 0.0031348 k( 245) = ( 0.1600000 0.2771281 0.3165078), wk = 0.0031348 k( 246) = ( 0.1533333 0.2655811 0.3165078), wk = 0.0031348 k( 247) = ( 0.1466667 0.2540341 0.3165078), wk = 0.0031348 k( 248) = ( 0.1400000 0.2424871 0.3165078), wk = 0.0031348 k( 249) = ( 0.1333333 0.2309401 0.3165078), wk = 0.0031348 k( 250) = ( 0.1266667 0.2193931 0.3165078), wk = 0.0031348 k( 251) = ( 0.1200000 0.2078461 0.3165078), wk = 0.0031348 k( 252) = ( 0.1133333 0.1962991 0.3165078), wk = 0.0031348 k( 253) = ( 0.1066667 0.1847521 0.3165078), wk = 0.0031348 k( 254) = ( 0.1000000 0.1732051 0.3165078), wk = 0.0031348 k( 255) = ( 0.0933333 0.1616581 0.3165078), wk = 0.0031348 k( 256) = ( 0.0866667 0.1501111 0.3165078), wk = 0.0031348 k( 257) = ( 0.0800000 0.1385641 0.3165078), wk = 0.0031348 k( 258) = ( 0.0733333 0.1270171 0.3165078), wk = 0.0031348 k( 259) = ( 0.0666667 0.1154701 0.3165078), wk = 0.0031348 k( 260) = ( 0.0600000 0.1039230 0.3165078), wk = 0.0031348 k( 261) = ( 0.0533333 0.0923760 0.3165078), wk = 0.0031348 k( 262) = ( 0.0466667 0.0808290 0.3165078), wk = 0.0031348 k( 263) = ( 0.0400000 0.0692820 0.3165078), wk = 0.0031348 k( 264) = ( 0.0333333 0.0577350 0.3165078), wk = 0.0031348 k( 265) = ( 0.0266667 0.0461880 0.3165078), wk = 0.0031348 k( 266) = ( 0.0200000 0.0346410 0.3165078), wk = 0.0031348 k( 267) = ( 0.0133333 0.0230940 0.3165078), wk = 0.0031348 k( 268) = ( 0.0066667 0.0115470 0.3165078), wk = 0.0031348 k( 269) = ( 0.0000000 0.0000000 0.3165078), wk = 0.0031348 k( 270) = ( 0.5000000 0.2886751 0.3165078), wk = 0.0031348 k( 271) = ( 0.5000000 0.2886751 0.3033200), wk = 0.0031348 k( 272) = ( 0.5000000 0.2886751 0.2901321), wk = 0.0031348 k( 273) = ( 0.5000000 0.2886751 0.2769443), wk = 0.0031348 k( 274) = ( 0.5000000 0.2886751 0.2637565), wk = 0.0031348 k( 275) = ( 0.5000000 0.2886751 0.2505687), wk = 0.0031348 k( 276) = ( 0.5000000 0.2886751 0.2373809), wk = 0.0031348 k( 277) = ( 0.5000000 0.2886751 0.2241930), wk = 0.0031348 k( 278) = ( 0.5000000 0.2886751 0.2110052), wk = 0.0031348 k( 279) = ( 0.5000000 0.2886751 0.1978174), wk = 0.0031348 k( 280) = ( 0.5000000 0.2886751 0.1846296), wk = 0.0031348 k( 281) = ( 0.5000000 0.2886751 0.1714417), wk = 0.0031348 k( 282) = ( 0.5000000 0.2886751 0.1582539), wk = 0.0031348 k( 283) = ( 0.5000000 0.2886751 0.1450661), wk = 0.0031348 k( 284) = ( 0.5000000 0.2886751 0.1318782), wk = 0.0031348 k( 285) = ( 0.5000000 0.2886751 0.1186904), wk = 0.0031348 k( 286) = ( 0.5000000 0.2886751 0.1055026), wk = 0.0031348 k( 287) = ( 0.5000000 0.2886751 0.0923148), wk = 0.0031348 k( 288) = ( 0.5000000 0.2886751 0.0791270), wk = 0.0031348 k( 289) = ( 0.5000000 0.2886751 0.0659391), wk = 0.0031348 k( 290) = ( 0.5000000 0.2886751 0.0527513), wk = 0.0031348 k( 291) = ( 0.5000000 0.2886751 0.0395635), wk = 0.0031348 k( 292) = ( 0.5000000 0.2886751 0.0263757), wk = 0.0031348 k( 293) = ( 0.5000000 0.2886751 0.0131878), wk = 0.0031348 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 296) = ( 0.3333333 0.5773503 0.0131878), wk = 0.0031348 k( 297) = ( 0.3333333 0.5773503 0.0263757), wk = 0.0031348 k( 298) = ( 0.3333333 0.5773503 0.0395635), wk = 0.0031348 k( 299) = ( 0.3333333 0.5773503 0.0527513), wk = 0.0031348 k( 300) = ( 0.3333333 0.5773503 0.0659391), wk = 0.0031348 k( 301) = ( 0.3333333 0.5773503 0.0791270), wk = 0.0031348 k( 302) = ( 0.3333333 0.5773503 0.0923148), wk = 0.0031348 k( 303) = ( 0.3333333 0.5773503 0.1055026), wk = 0.0031348 k( 304) = ( 0.3333333 0.5773503 0.1186904), wk = 0.0031348 k( 305) = ( 0.3333333 0.5773503 0.1318782), wk = 0.0031348 k( 306) = ( 0.3333333 0.5773503 0.1450661), wk = 0.0031348 k( 307) = ( 0.3333333 0.5773503 0.1582539), wk = 0.0031348 k( 308) = ( 0.3333333 0.5773503 0.1714417), wk = 0.0031348 k( 309) = ( 0.3333333 0.5773503 0.1846296), wk = 0.0031348 k( 310) = ( 0.3333333 0.5773503 0.1978174), wk = 0.0031348 k( 311) = ( 0.3333333 0.5773503 0.2110052), wk = 0.0031348 k( 312) = ( 0.3333333 0.5773503 0.2241930), wk = 0.0031348 k( 313) = ( 0.3333333 0.5773503 0.2373809), wk = 0.0031348 k( 314) = ( 0.3333333 0.5773503 0.2505687), wk = 0.0031348 k( 315) = ( 0.3333333 0.5773503 0.2637565), wk = 0.0031348 k( 316) = ( 0.3333333 0.5773503 0.2769443), wk = 0.0031348 k( 317) = ( 0.3333333 0.5773503 0.2901321), wk = 0.0031348 k( 318) = ( 0.3333333 0.5773503 0.3033200), wk = 0.0031348 k( 319) = ( 0.3333333 0.5773503 0.3165078), wk = 0.0031348 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0031348 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0031348 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0031348 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0031348 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0031348 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0031348 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0031348 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0031348 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0031348 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0031348 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0031348 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0031348 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0031348 k( 15) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0031348 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0031348 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0031348 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0031348 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0031348 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0031348 k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0031348 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0031348 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031348 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0031348 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0031348 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0031348 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0031348 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0031348 k( 29) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0031348 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0031348 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0031348 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0031348 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0031348 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0031348 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0031348 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0031348 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0031348 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0031348 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0031348 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0031348 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0031348 k( 42) = ( 0.4659091 -0.0000000 0.0000000), wk = 0.0031348 k( 43) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0031348 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0031348 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 47) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0031348 k( 48) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0031348 k( 49) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0031348 k( 50) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0031348 k( 51) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0031348 k( 52) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0031348 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0031348 k( 54) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0031348 k( 55) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0031348 k( 56) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0031348 k( 57) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0031348 k( 58) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0031348 k( 59) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0031348 k( 60) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0031348 k( 61) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0031348 k( 62) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0031348 k( 63) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0031348 k( 64) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0031348 k( 65) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0031348 k( 66) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0031348 k( 67) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0031348 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0031348 k( 69) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0031348 k( 70) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0031348 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031348 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031348 k( 73) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0031348 k( 74) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0031348 k( 75) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0031348 k( 76) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0031348 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0031348 k( 78) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0031348 k( 79) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0031348 k( 80) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0031348 k( 81) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0031348 k( 82) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0031348 k( 83) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031348 k( 84) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0031348 k( 85) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0031348 k( 86) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031348 k( 87) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0031348 k( 88) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0031348 k( 89) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031348 k( 90) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0031348 k( 91) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0031348 k( 92) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0031348 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0031348 k( 94) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0031348 k( 95) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031348 k( 96) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0031348 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031348 k( 98) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0031348 k( 99) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0031348 k( 100) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0031348 k( 101) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0031348 k( 102) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0031348 k( 103) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0031348 k( 104) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031348 k( 105) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0031348 k( 106) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0031348 k( 107) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0031348 k( 108) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0031348 k( 109) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0031348 k( 110) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0031348 k( 111) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0031348 k( 112) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0031348 k( 113) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031348 k( 114) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0031348 k( 115) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0031348 k( 116) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0031348 k( 117) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0031348 k( 118) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0031348 k( 119) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0031348 k( 120) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0031348 k( 121) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0031348 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 124) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0031348 k( 125) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031348 k( 126) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0031348 k( 127) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031348 k( 128) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0031348 k( 129) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031348 k( 130) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0031348 k( 131) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031348 k( 132) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0031348 k( 133) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031348 k( 134) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0031348 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031348 k( 136) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0031348 k( 137) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031348 k( 138) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0031348 k( 139) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031348 k( 140) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0031348 k( 141) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031348 k( 142) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0031348 k( 143) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031348 k( 144) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0031348 k( 145) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031348 k( 146) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0031348 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 149) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0031348 k( 150) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0031348 k( 151) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0031348 k( 152) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0031348 k( 153) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0031348 k( 154) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0031348 k( 155) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0031348 k( 156) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0031348 k( 157) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0031348 k( 158) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0031348 k( 159) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0031348 k( 160) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0031348 k( 161) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0031348 k( 162) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0031348 k( 163) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0031348 k( 164) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0031348 k( 165) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0031348 k( 166) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0031348 k( 167) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0031348 k( 168) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0031348 k( 169) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0031348 k( 170) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031348 k( 171) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0031348 k( 172) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0031348 k( 173) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0031348 k( 174) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0031348 k( 175) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0031348 k( 176) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0031348 k( 177) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0031348 k( 178) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0031348 k( 179) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0031348 k( 180) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0031348 k( 181) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0031348 k( 182) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0031348 k( 183) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0031348 k( 184) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0031348 k( 185) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0031348 k( 186) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0031348 k( 187) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0031348 k( 188) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0031348 k( 189) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0031348 k( 190) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0031348 k( 191) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0031348 k( 192) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 193) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 194) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0031348 k( 195) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0031348 k( 196) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0031348 k( 197) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0031348 k( 198) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0031348 k( 199) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0031348 k( 200) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0031348 k( 201) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0031348 k( 202) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0031348 k( 203) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0031348 k( 204) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0031348 k( 205) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0031348 k( 206) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0031348 k( 207) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0031348 k( 208) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0031348 k( 209) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0031348 k( 210) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0031348 k( 211) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0031348 k( 212) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0031348 k( 213) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0031348 k( 214) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0031348 k( 215) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0031348 k( 216) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0031348 k( 217) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0031348 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 k( 219) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 k( 220) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0031348 k( 221) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031348 k( 222) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0031348 k( 223) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0031348 k( 224) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031348 k( 225) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0031348 k( 226) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0031348 k( 227) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031348 k( 228) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0031348 k( 229) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0031348 k( 230) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031348 k( 231) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0031348 k( 232) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0031348 k( 233) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031348 k( 234) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0031348 k( 235) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0031348 k( 236) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031348 k( 237) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0031348 k( 238) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0031348 k( 239) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031348 k( 240) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0031348 k( 241) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0031348 k( 242) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031348 k( 243) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0031348 k( 244) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031348 k( 245) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031348 k( 246) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0031348 k( 247) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0031348 k( 248) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031348 k( 249) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0031348 k( 250) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0031348 k( 251) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031348 k( 252) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0031348 k( 253) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0031348 k( 254) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031348 k( 255) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0031348 k( 256) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0031348 k( 257) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031348 k( 258) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0031348 k( 259) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0031348 k( 260) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031348 k( 261) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0031348 k( 262) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0031348 k( 263) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031348 k( 264) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0031348 k( 265) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0031348 k( 266) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031348 k( 267) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0031348 k( 268) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0031348 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 270) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 271) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0031348 k( 272) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0031348 k( 273) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0031348 k( 274) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0031348 k( 275) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0031348 k( 276) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0031348 k( 277) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0031348 k( 278) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0031348 k( 279) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0031348 k( 280) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0031348 k( 281) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0031348 k( 282) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031348 k( 283) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0031348 k( 284) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0031348 k( 285) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0031348 k( 286) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0031348 k( 287) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0031348 k( 288) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0031348 k( 289) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0031348 k( 290) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0031348 k( 291) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0031348 k( 292) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0031348 k( 293) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0031348 k( 294) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 295) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031348 k( 296) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0031348 k( 297) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0031348 k( 298) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0031348 k( 299) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0031348 k( 300) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0031348 k( 301) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0031348 k( 302) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0031348 k( 303) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031348 k( 304) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0031348 k( 305) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0031348 k( 306) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0031348 k( 307) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031348 k( 308) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0031348 k( 309) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0031348 k( 310) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0031348 k( 311) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031348 k( 312) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0031348 k( 313) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0031348 k( 314) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0031348 k( 315) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0031348 k( 316) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0031348 k( 317) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0031348 k( 318) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0031348 k( 319) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 Dense grid: 261107 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 96009 G-vectors FFT dimensions: ( 54, 54, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 520, 38) NL pseudopotentials 0.25 Mb ( 260, 62) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 5442) G-vector shells 0.02 Mb ( 2550) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.21 Mb ( 520, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.07 Mb ( 62, 2, 38) The potential is recalculated from file : ./LiMnSe2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 44.5 secs Computing kpt #: 5 total cpu time spent up to now is 46.0 secs Computing kpt #: 6 total cpu time spent up to now is 47.6 secs Computing kpt #: 7 total cpu time spent up to now is 49.4 secs Computing kpt #: 8 total cpu time spent up to now is 51.3 secs Computing kpt #: 9 total cpu time spent up to now is 52.8 secs Computing kpt #: 10 total cpu time spent up to now is 54.5 secs Computing kpt #: 11 total cpu time spent up to now is 56.1 secs Computing kpt #: 12 total cpu time spent up to now is 57.9 secs Computing kpt #: 13 total cpu time spent up to now is 59.7 secs Computing kpt #: 14 total cpu time spent up to now is 61.5 secs Computing kpt #: 15 total cpu time spent up to now is 63.2 secs Computing kpt #: 16 total cpu time spent up to now is 65.0 secs Computing kpt #: 17 total cpu time spent up to now is 66.8 secs Computing kpt #: 18 total cpu time spent up to now is 68.4 secs Computing kpt #: 19 total cpu time spent up to now is 70.2 secs Computing kpt #: 20 total cpu time spent up to now is 71.9 secs Computing kpt #: 21 total cpu time spent up to now is 73.6 secs Computing kpt #: 22 total cpu time spent up to now is 75.4 secs Computing kpt #: 23 total cpu time spent up to now is 77.2 secs Computing kpt #: 24 total cpu time spent up to now is 79.0 secs Computing kpt #: 25 total cpu time spent up to now is 80.7 secs Computing kpt #: 26 total cpu time spent up to now is 82.5 secs Computing kpt #: 27 total cpu time spent up to now is 84.4 secs Computing kpt #: 28 total cpu time spent up to now is 86.2 secs Computing kpt #: 29 total cpu time spent up to now is 88.0 secs Computing kpt #: 30 total cpu time spent up to now is 89.7 secs Computing kpt #: 31 total cpu time spent up to now is 91.4 secs Computing kpt #: 32 total cpu time spent up to now is 93.2 secs Computing kpt #: 33 total cpu time spent up to now is 95.3 secs Computing kpt #: 34 total cpu time spent up to now is 97.0 secs Computing kpt #: 35 total cpu time spent up to now is 98.7 secs Computing kpt #: 36 total cpu time spent up to now is 100.5 secs Computing kpt #: 37 total cpu time spent up to now is 102.4 secs Computing kpt #: 38 total cpu time spent up to now is 104.0 secs Computing kpt #: 39 total cpu time spent up to now is 105.7 secs Computing kpt #: 40 total cpu time spent up to now is 107.4 secs Computing kpt #: 41 total cpu time spent up to now is 109.1 secs Computing kpt #: 42 total cpu time spent up to now is 110.9 secs Computing kpt #: 43 total cpu time spent up to now is 112.6 secs Computing kpt #: 44 total cpu time spent up to now is 114.3 secs Computing kpt #: 45 total cpu time spent up to now is 115.9 secs Computing kpt #: 46 total cpu time spent up to now is 117.7 secs Computing kpt #: 47 total cpu time spent up to now is 119.4 secs Computing kpt #: 48 total cpu time spent up to now is 121.1 secs Computing kpt #: 49 total cpu time spent up to now is 122.8 secs Computing kpt #: 50 total cpu time spent up to now is 124.5 secs Computing kpt #: 51 total cpu time spent up to now is 126.1 secs Computing kpt #: 52 total cpu time spent up to now is 127.8 secs Computing kpt #: 53 total cpu time spent up to now is 129.5 secs Computing kpt #: 54 total cpu time spent up to now is 131.3 secs Computing kpt #: 55 total cpu time spent up to now is 133.1 secs Computing kpt #: 56 total cpu time spent up to now is 134.9 secs Computing kpt #: 57 total cpu time spent up to now is 136.7 secs Computing kpt #: 58 total cpu time spent up to now is 138.4 secs Computing kpt #: 59 total cpu time spent up to now is 140.3 secs Computing kpt #: 60 total cpu time spent up to now is 142.3 secs Computing kpt #: 61 total cpu time spent up to now is 144.5 secs Computing kpt #: 62 total cpu time spent up to now is 146.6 secs Computing kpt #: 63 total cpu time spent up to now is 148.8 secs Computing kpt #: 64 total cpu time spent up to now is 150.8 secs Computing kpt #: 65 total cpu time spent up to now is 152.7 secs Computing kpt #: 66 total cpu time spent up to now is 154.6 secs Computing kpt #: 67 total cpu time spent up to now is 156.5 secs Computing kpt #: 68 total cpu time spent up to now is 158.4 secs Computing kpt #: 69 total cpu time spent up to now is 160.3 secs Computing kpt #: 70 total cpu time spent up to now is 162.1 secs Computing kpt #: 71 total cpu time spent up to now is 163.8 secs Computing kpt #: 72 total cpu time spent up to now is 165.6 secs Computing kpt #: 73 total cpu time spent up to now is 167.6 secs Computing kpt #: 74 total cpu time spent up to now is 169.4 secs Computing kpt #: 75 total cpu time spent up to now is 171.3 secs Computing kpt #: 76 total cpu time spent up to now is 173.1 secs Computing kpt #: 77 total cpu time spent up to now is 174.9 secs Computing kpt #: 78 total cpu time spent up to now is 176.8 secs Computing kpt #: 79 total cpu time spent up to now is 178.8 secs Computing kpt #: 80 total cpu time spent up to now is 180.9 secs Computing kpt #: 81 total cpu time spent up to now is 183.0 secs Computing kpt #: 82 total cpu time spent up to now is 185.2 secs Computing kpt #: 83 total cpu time spent up to now is 187.4 secs Computing kpt #: 84 total cpu time spent up to now is 189.6 secs Computing kpt #: 85 total cpu time spent up to now is 191.8 secs Computing kpt #: 86 total cpu time spent up to now is 194.0 secs Computing kpt #: 87 total cpu time spent up to now is 196.2 secs Computing kpt #: 88 total cpu time spent up to now is 198.4 secs Computing kpt #: 89 total cpu time spent up to now is 200.4 secs Computing kpt #: 90 total cpu time spent up to now is 202.4 secs Computing kpt #: 91 total cpu time spent up to now is 204.3 secs Computing kpt #: 92 total cpu time spent up to now is 206.2 secs Computing kpt #: 93 total cpu time spent up to now is 208.1 secs Computing kpt #: 94 total cpu time spent up to now is 210.0 secs Computing kpt #: 95 total cpu time spent up to now is 211.9 secs Computing kpt #: 96 total cpu time spent up to now is 214.0 secs Computing kpt #: 97 total cpu time spent up to now is 216.0 secs Computing kpt #: 98 total cpu time spent up to now is 217.7 secs Computing kpt #: 99 total cpu time spent up to now is 219.7 secs Computing kpt #: 100 total cpu time spent up to now is 221.6 secs Computing kpt #: 101 total cpu time spent up to now is 223.3 secs Computing kpt #: 102 total cpu time spent up to now is 225.1 secs Computing kpt #: 103 total cpu time spent up to now is 226.8 secs Computing kpt #: 104 total cpu time spent up to now is 228.6 secs Computing kpt #: 105 total cpu time spent up to now is 230.3 secs Computing kpt #: 106 total cpu time spent up to now is 232.0 secs Computing kpt #: 107 total cpu time spent up to now is 233.8 secs Computing kpt #: 108 total cpu time spent up to now is 235.6 secs Computing kpt #: 109 total cpu time spent up to now is 237.3 secs Computing kpt #: 110 total cpu time spent up to now is 238.9 secs Computing kpt #: 111 total cpu time spent up to now is 240.6 secs Computing kpt #: 112 total cpu time spent up to now is 242.3 secs Computing kpt #: 113 total cpu time spent up to now is 243.9 secs Computing kpt #: 114 total cpu time spent up to now is 245.4 secs Computing kpt #: 115 total cpu time spent up to now is 246.9 secs Computing kpt #: 116 total cpu time spent up to now is 248.4 secs Computing kpt #: 117 total cpu time spent up to now is 250.0 secs Computing kpt #: 118 total cpu time spent up to now is 251.6 secs Computing kpt #: 119 total cpu time spent up to now is 253.0 secs Computing kpt #: 120 total cpu time spent up to now is 254.6 secs Computing kpt #: 121 total cpu time spent up to now is 257.2 secs Computing kpt #: 122 total cpu time spent up to now is 259.8 secs Computing kpt #: 123 total cpu time spent up to now is 261.9 secs Computing kpt #: 124 total cpu time spent up to now is 263.4 secs Computing kpt #: 125 total cpu time spent up to now is 265.0 secs Computing kpt #: 126 total cpu time spent up to now is 266.4 secs Computing kpt #: 127 total cpu time spent up to now is 268.1 secs Computing kpt #: 128 total cpu time spent up to now is 269.6 secs Computing kpt #: 129 total cpu time spent up to now is 271.1 secs Computing kpt #: 130 total cpu time spent up to now is 272.5 secs Computing kpt #: 131 total cpu time spent up to now is 274.1 secs Computing kpt #: 132 total cpu time spent up to now is 275.6 secs Computing kpt #: 133 total cpu time spent up to now is 277.2 secs Computing kpt #: 134 total cpu time spent up to now is 278.8 secs Computing kpt #: 135 total cpu time spent up to now is 280.4 secs Computing kpt #: 136 total cpu time spent up to now is 282.1 secs Computing kpt #: 137 total cpu time spent up to now is 283.6 secs Computing kpt #: 138 total cpu time spent up to now is 285.3 secs Computing kpt #: 139 total cpu time spent up to now is 286.9 secs Computing kpt #: 140 total cpu time spent up to now is 288.4 secs Computing kpt #: 141 total cpu time spent up to now is 289.9 secs Computing kpt #: 142 total cpu time spent up to now is 291.4 secs Computing kpt #: 143 total cpu time spent up to now is 292.9 secs Computing kpt #: 144 total cpu time spent up to now is 294.4 secs Computing kpt #: 145 total cpu time spent up to now is 295.8 secs Computing kpt #: 146 total cpu time spent up to now is 297.4 secs Computing kpt #: 147 total cpu time spent up to now is 298.9 secs Computing kpt #: 148 total cpu time spent up to now is 300.3 secs Computing kpt #: 149 total cpu time spent up to now is 301.8 secs Computing kpt #: 150 total cpu time spent up to now is 303.5 secs Computing kpt #: 151 total cpu time spent up to now is 305.2 secs Computing kpt #: 152 total cpu time spent up to now is 306.7 secs Computing kpt #: 153 total cpu time spent up to now is 308.2 secs Computing kpt #: 154 total cpu time spent up to now is 309.7 secs Computing kpt #: 155 total cpu time spent up to now is 311.3 secs Computing kpt #: 156 total cpu time spent up to now is 312.8 secs Computing kpt #: 157 total cpu time spent up to now is 314.3 secs Computing kpt #: 158 total cpu time spent up to now is 316.1 secs Computing kpt #: 159 total cpu time spent up to now is 317.8 secs Computing kpt #: 160 total cpu time spent up to now is 319.6 secs Computing kpt #: 161 total cpu time spent up to now is 321.4 secs Computing kpt #: 162 total cpu time spent up to now is 323.2 secs Computing kpt #: 163 total cpu time spent up to now is 325.2 secs Computing kpt #: 164 total cpu time spent up to now is 327.0 secs Computing kpt #: 165 total cpu time spent up to now is 328.9 secs Computing kpt #: 166 total cpu time spent up to now is 330.7 secs Computing kpt #: 167 total cpu time spent up to now is 332.4 secs Computing kpt #: 168 total cpu time spent up to now is 334.3 secs Computing kpt #: 169 total cpu time spent up to now is 336.1 secs Computing kpt #: 170 total cpu time spent up to now is 337.9 secs Computing kpt #: 171 total cpu time spent up to now is 339.7 secs Computing kpt #: 172 total cpu time spent up to now is 341.6 secs Computing kpt #: 173 total cpu time spent up to now is 343.4 secs Computing kpt #: 174 total cpu time spent up to now is 345.3 secs Computing kpt #: 175 total cpu time spent up to now is 347.1 secs Computing kpt #: 176 total cpu time spent up to now is 349.0 secs Computing kpt #: 177 total cpu time spent up to now is 351.1 secs Computing kpt #: 178 total cpu time spent up to now is 353.6 secs Computing kpt #: 179 total cpu time spent up to now is 355.5 secs Computing kpt #: 180 total cpu time spent up to now is 357.4 secs Computing kpt #: 181 total cpu time spent up to now is 359.4 secs Computing kpt #: 182 total cpu time spent up to now is 361.3 secs Computing kpt #: 183 total cpu time spent up to now is 363.2 secs Computing kpt #: 184 total cpu time spent up to now is 365.2 secs Computing kpt #: 185 total cpu time spent up to now is 367.1 secs Computing kpt #: 186 total cpu time spent up to now is 369.1 secs Computing kpt #: 187 total cpu time spent up to now is 371.0 secs Computing kpt #: 188 total cpu time spent up to now is 372.9 secs Computing kpt #: 189 total cpu time spent up to now is 375.0 secs Computing kpt #: 190 total cpu time spent up to now is 377.0 secs Computing kpt #: 191 total cpu time spent up to now is 378.9 secs Computing kpt #: 192 total cpu time spent up to now is 380.9 secs Computing kpt #: 193 total cpu time spent up to now is 382.8 secs Computing kpt #: 194 total cpu time spent up to now is 384.8 secs Computing kpt #: 195 total cpu time spent up to now is 386.7 secs Computing kpt #: 196 total cpu time spent up to now is 388.7 secs Computing kpt #: 197 total cpu time spent up to now is 390.6 secs Computing kpt #: 198 total cpu time spent up to now is 392.5 secs Computing kpt #: 199 total cpu time spent up to now is 394.6 secs Computing kpt #: 200 total cpu time spent up to now is 396.6 secs Computing kpt #: 201 total cpu time spent up to now is 398.7 secs Computing kpt #: 202 total cpu time spent up to now is 400.9 secs Computing kpt #: 203 total cpu time spent up to now is 403.1 secs Computing kpt #: 204 total cpu time spent up to now is 405.9 secs Computing kpt #: 205 total cpu time spent up to now is 408.2 secs Computing kpt #: 206 total cpu time spent up to now is 410.4 secs Computing kpt #: 207 total cpu time spent up to now is 412.6 secs Computing kpt #: 208 total cpu time spent up to now is 414.7 secs Computing kpt #: 209 total cpu time spent up to now is 416.6 secs Computing kpt #: 210 total cpu time spent up to now is 418.8 secs Computing kpt #: 211 total cpu time spent up to now is 420.8 secs Computing kpt #: 212 total cpu time spent up to now is 422.6 secs Computing kpt #: 213 total cpu time spent up to now is 424.6 secs Computing kpt #: 214 total cpu time spent up to now is 426.4 secs Computing kpt #: 215 total cpu time spent up to now is 428.2 secs Computing kpt #: 216 total cpu time spent up to now is 430.0 secs Computing kpt #: 217 total cpu time spent up to now is 431.8 secs Computing kpt #: 218 total cpu time spent up to now is 433.5 secs Computing kpt #: 219 total cpu time spent up to now is 435.1 secs Computing kpt #: 220 total cpu time spent up to now is 436.9 secs Computing kpt #: 221 total cpu time spent up to now is 438.6 secs Computing kpt #: 222 total cpu time spent up to now is 440.4 secs Computing kpt #: 223 total cpu time spent up to now is 442.2 secs Computing kpt #: 224 total cpu time spent up to now is 444.1 secs Computing kpt #: 225 total cpu time spent up to now is 446.4 secs Computing kpt #: 226 total cpu time spent up to now is 448.4 secs Computing kpt #: 227 total cpu time spent up to now is 450.3 secs Computing kpt #: 228 total cpu time spent up to now is 452.1 secs Computing kpt #: 229 total cpu time spent up to now is 454.1 secs Computing kpt #: 230 total cpu time spent up to now is 456.1 secs Computing kpt #: 231 total cpu time spent up to now is 458.0 secs Computing kpt #: 232 total cpu time spent up to now is 460.0 secs Computing kpt #: 233 total cpu time spent up to now is 462.2 secs Computing kpt #: 234 total cpu time spent up to now is 464.4 secs Computing kpt #: 235 total cpu time spent up to now is 466.7 secs Computing kpt #: 236 total cpu time spent up to now is 468.9 secs Computing kpt #: 237 total cpu time spent up to now is 471.2 secs Computing kpt #: 238 total cpu time spent up to now is 473.7 secs Computing kpt #: 239 total cpu time spent up to now is 476.4 secs Computing kpt #: 240 total cpu time spent up to now is 479.0 secs Computing kpt #: 241 total cpu time spent up to now is 481.3 secs Computing kpt #: 242 total cpu time spent up to now is 483.6 secs Computing kpt #: 243 total cpu time spent up to now is 485.8 secs Computing kpt #: 244 total cpu time spent up to now is 488.0 secs Computing kpt #: 245 total cpu time spent up to now is 490.1 secs Computing kpt #: 246 total cpu time spent up to now is 492.1 secs Computing kpt #: 247 total cpu time spent up to now is 494.0 secs Computing kpt #: 248 total cpu time spent up to now is 496.0 secs Computing kpt #: 249 total cpu time spent up to now is 498.0 secs Computing kpt #: 250 total cpu time spent up to now is 499.8 secs Computing kpt #: 251 total cpu time spent up to now is 501.7 secs Computing kpt #: 252 total cpu time spent up to now is 503.5 secs Computing kpt #: 253 total cpu time spent up to now is 505.3 secs Computing kpt #: 254 total cpu time spent up to now is 507.1 secs Computing kpt #: 255 total cpu time spent up to now is 508.9 secs Computing kpt #: 256 total cpu time spent up to now is 510.7 secs Computing kpt #: 257 total cpu time spent up to now is 512.4 secs Computing kpt #: 258 total cpu time spent up to now is 514.1 secs Computing kpt #: 259 total cpu time spent up to now is 515.8 secs Computing kpt #: 260 total cpu time spent up to now is 517.4 secs Computing kpt #: 261 total cpu time spent up to now is 519.0 secs Computing kpt #: 262 total cpu time spent up to now is 520.6 secs Computing kpt #: 263 total cpu time spent up to now is 522.1 secs Computing kpt #: 264 total cpu time spent up to now is 523.6 secs Computing kpt #: 265 total cpu time spent up to now is 525.1 secs Computing kpt #: 266 total cpu time spent up to now is 526.6 secs Computing kpt #: 267 total cpu time spent up to now is 528.1 secs Computing kpt #: 268 total cpu time spent up to now is 529.5 secs Computing kpt #: 269 total cpu time spent up to now is 531.0 secs Computing kpt #: 270 total cpu time spent up to now is 532.9 secs Computing kpt #: 271 total cpu time spent up to now is 534.9 secs Computing kpt #: 272 total cpu time spent up to now is 536.9 secs Computing kpt #: 273 total cpu time spent up to now is 538.8 secs Computing kpt #: 274 total cpu time spent up to now is 540.7 secs Computing kpt #: 275 total cpu time spent up to now is 542.6 secs Computing kpt #: 276 total cpu time spent up to now is 544.5 secs Computing kpt #: 277 total cpu time spent up to now is 546.4 secs Computing kpt #: 278 total cpu time spent up to now is 548.2 secs Computing kpt #: 279 total cpu time spent up to now is 550.0 secs Computing kpt #: 280 total cpu time spent up to now is 551.8 secs Computing kpt #: 281 total cpu time spent up to now is 553.5 secs Computing kpt #: 282 total cpu time spent up to now is 555.8 secs Computing kpt #: 283 total cpu time spent up to now is 558.8 secs Computing kpt #: 284 total cpu time spent up to now is 561.8 secs Computing kpt #: 285 total cpu time spent up to now is 563.5 secs Computing kpt #: 286 total cpu time spent up to now is 565.3 secs Computing kpt #: 287 total cpu time spent up to now is 567.0 secs Computing kpt #: 288 total cpu time spent up to now is 568.8 secs Computing kpt #: 289 total cpu time spent up to now is 570.5 secs Computing kpt #: 290 total cpu time spent up to now is 572.2 secs Computing kpt #: 291 total cpu time spent up to now is 574.0 secs Computing kpt #: 292 total cpu time spent up to now is 575.7 secs Computing kpt #: 293 total cpu time spent up to now is 577.4 secs Computing kpt #: 294 total cpu time spent up to now is 579.0 secs Computing kpt #: 295 total cpu time spent up to now is 580.9 secs Computing kpt #: 296 total cpu time spent up to now is 582.6 secs Computing kpt #: 297 total cpu time spent up to now is 584.4 secs Computing kpt #: 298 total cpu time spent up to now is 586.3 secs Computing kpt #: 299 total cpu time spent up to now is 588.2 secs Computing kpt #: 300 total cpu time spent up to now is 590.1 secs Computing kpt #: 301 total cpu time spent up to now is 592.0 secs Computing kpt #: 302 total cpu time spent up to now is 594.0 secs Computing kpt #: 303 total cpu time spent up to now is 595.8 secs Computing kpt #: 304 total cpu time spent up to now is 598.0 secs Computing kpt #: 305 total cpu time spent up to now is 600.3 secs Computing kpt #: 306 total cpu time spent up to now is 602.5 secs Computing kpt #: 307 total cpu time spent up to now is 605.1 secs Computing kpt #: 308 total cpu time spent up to now is 607.4 secs Computing kpt #: 309 total cpu time spent up to now is 609.3 secs Computing kpt #: 310 total cpu time spent up to now is 611.3 secs Computing kpt #: 311 total cpu time spent up to now is 613.1 secs Computing kpt #: 312 total cpu time spent up to now is 614.9 secs Computing kpt #: 313 total cpu time spent up to now is 616.8 secs Computing kpt #: 314 total cpu time spent up to now is 618.5 secs Computing kpt #: 315 total cpu time spent up to now is 620.2 secs Computing kpt #: 316 total cpu time spent up to now is 622.0 secs Computing kpt #: 317 total cpu time spent up to now is 623.8 secs Computing kpt #: 318 total cpu time spent up to now is 625.5 secs Computing kpt #: 319 total cpu time spent up to now is 627.3 secs ethr = 3.33E-11, avg # of iterations = 28.8 total cpu time spent up to now is 627.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11963 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2921 -9.2921 -7.6895 -7.6895 0.1118 0.1118 0.8088 0.8088 0.9614 0.9614 2.1085 2.1085 3.2259 3.2259 3.3136 3.3136 3.9643 3.9643 4.1516 4.1516 5.0816 5.0816 5.3596 5.3596 5.4052 5.4052 5.8955 5.8955 k = 0.0114 0.0066-0.0000 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2917 -9.2916 -7.6892 -7.6892 0.1120 0.1132 0.8069 0.8085 0.9602 0.9602 2.1081 2.1091 3.2248 3.2255 3.3131 3.3131 3.9613 3.9636 4.1493 4.1493 5.0710 5.0873 5.3441 5.3665 5.4004 5.4015 5.9048 5.9108 k = 0.0227 0.0131-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2904 -9.2902 -7.6884 -7.6883 0.1138 0.1164 0.8024 0.8057 0.9567 0.9568 2.1077 2.1097 3.2222 3.2235 3.3115 3.3115 3.9546 3.9592 4.1424 4.1427 5.0555 5.0878 5.3191 5.3659 5.3876 5.3937 5.9372 5.9477 k = 0.0341 0.0197-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2882 -9.2878 -7.6871 -7.6870 0.1173 0.1211 0.7953 0.8003 0.9513 0.9515 2.1074 2.1104 3.2180 3.2197 3.3090 3.3091 3.9438 3.9509 4.1314 4.1322 5.0351 5.0822 5.2871 5.3521 5.3773 5.3849 5.9879 6.0011 k = 0.0455 0.0262-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2851 -9.2846 -7.6852 -7.6851 0.1223 0.1276 0.7849 0.7917 0.9444 0.9448 2.1071 2.1112 3.2120 3.2140 3.3055 3.3058 3.9290 3.9387 4.1170 4.1188 5.0095 5.0691 5.2534 5.3278 5.3717 5.3756 6.0519 6.0663 k = 0.0568 0.0328-0.0000 ( 11969 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2811 -9.2805 -7.6829 -7.6827 0.1290 0.1357 0.7709 0.7796 0.9369 0.9374 2.1069 2.1120 3.2039 3.2059 3.3013 3.3018 3.9099 3.9223 4.1001 4.1032 4.9792 5.0470 5.2230 5.3016 5.3656 5.3657 6.1251 6.1400 k = 0.0682 0.0394-0.0000 ( 11961 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2762 -9.2756 -7.6800 -7.6798 0.1371 0.1454 0.7527 0.7634 0.9293 0.9301 2.1067 2.1129 3.1934 3.1950 3.2965 3.2974 3.8868 3.9017 4.0817 4.0864 4.9446 5.0156 5.1980 5.2761 5.3545 5.3583 6.2048 6.2199 k = 0.0795 0.0459-0.0000 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2705 -9.2697 -7.6766 -7.6764 0.1466 0.1567 0.7301 0.7429 0.9223 0.9231 2.1065 2.1138 3.1800 3.1809 3.2912 3.2927 3.8600 3.8770 4.0626 4.0689 4.9066 4.9768 5.1780 5.2520 5.3422 5.3493 6.2893 6.3043 k = 0.0909 0.0525-0.0000 ( 11960 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2639 -9.2631 -7.6727 -7.6725 0.1575 0.1695 0.7031 0.7180 0.9161 0.9170 2.1063 2.1147 3.1630 3.1635 3.2856 3.2878 3.8302 3.8488 4.0435 4.0513 4.8661 4.9333 5.1610 5.2291 5.3288 5.3387 6.3773 6.3922 k = 0.1023 0.0590-0.0000 ( 11954 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2566 -9.2557 -7.6684 -7.6681 0.1696 0.1839 0.6719 0.6891 0.9109 0.9117 2.1060 2.1156 3.1410 3.1433 3.2798 3.2829 3.7984 3.8179 4.0246 4.0338 4.8241 4.8873 5.1451 5.2070 5.3141 5.3266 6.4676 6.4825 k = 0.1136 0.0656-0.0000 ( 11954 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2485 -9.2474 -7.6637 -7.6633 0.1826 0.1997 0.6369 0.6566 0.9066 0.9072 2.1056 2.1165 3.1145 3.1190 3.2741 3.2780 3.7657 3.7854 4.0062 4.0164 4.7811 4.8403 5.1292 5.1851 5.2982 5.3131 6.5595 6.5744 k = 0.1250 0.0722-0.0000 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2396 -9.2385 -7.6585 -7.6581 0.1963 0.2168 0.5986 0.6214 0.9031 0.9034 2.1051 2.1173 3.0833 3.0904 3.2683 3.2731 3.7331 3.7524 3.9882 3.9992 4.7378 4.7932 5.1124 5.1630 5.2812 5.2982 6.6521 6.6670 k = 0.1364 0.0787-0.0000 ( 11970 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2300 -9.2288 -7.6529 -7.6526 0.2101 0.2350 0.5576 0.5844 0.9002 0.9002 2.1044 2.1179 3.0472 3.0574 3.2625 3.2682 3.7014 3.7199 3.9704 3.9821 4.6947 4.7466 5.0943 5.1402 5.2632 5.2820 6.7448 6.7597 k = 0.1477 0.0853-0.0000 ( 11968 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.2198 -9.2185 -7.6470 -7.6466 0.2231 0.2538 0.5147 0.5468 0.8975 0.8978 2.1034 2.1185 3.0065 3.0199 3.2568 3.2633 3.6715 3.6887 3.9530 3.9652 4.6519 4.7007 5.0745 5.1164 5.2441 5.2646 6.8366 6.8516 k = 0.1591 0.0919-0.0000 ( 11958 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.2090 -9.2076 -7.6407 -7.6403 0.2339 0.2724 0.4712 0.5107 0.8951 0.8957 2.1021 2.1188 2.9612 2.9782 3.2511 3.2583 3.6438 3.6595 3.9359 3.9485 4.6098 4.6558 5.0529 5.0913 5.2242 5.2461 6.9269 6.9420 k = 0.1705 0.0984-0.0000 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1975 -9.1961 -7.6342 -7.6338 0.2396 0.2882 0.4300 0.4791 0.8930 0.8940 2.1004 2.1189 2.9119 2.9325 3.2453 3.2532 3.6184 3.6326 3.9190 3.9320 4.5685 4.6121 5.0292 5.0646 5.2035 5.2266 7.0149 7.0300 k = 0.1818 0.1050-0.0000 ( 11966 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1855 -9.1841 -7.6274 -7.6269 0.2362 0.2931 0.3995 0.4563 0.8912 0.8924 2.0983 2.1188 2.8591 2.8835 3.2395 3.2480 3.5955 3.6082 3.9025 3.9159 4.5281 4.5696 5.0034 5.0364 5.1820 5.2061 7.0996 7.1147 k = 0.1932 0.1115-0.0000 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1731 -9.1716 -7.6203 -7.6198 0.2202 0.2735 0.3937 0.4464 0.8896 0.8911 2.0956 2.1184 2.8035 2.8317 3.2337 3.2426 3.5749 3.5862 3.8864 3.9001 4.4888 4.5283 4.9754 5.0063 5.1600 5.1849 7.1802 7.1953 k = 0.2045 0.1181-0.0000 ( 11966 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1602 -9.1586 -7.6130 -7.6126 0.1915 0.2338 0.4083 0.4494 0.8882 0.8899 2.0923 2.1176 2.7456 2.7778 3.2278 3.2371 3.5565 3.5666 3.8708 3.8848 4.4505 4.4884 4.9452 4.9744 5.1375 5.1630 7.2559 7.2708 k = 0.2159 0.1247-0.0000 ( 11950 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3611 -42.3611 -9.1470 -9.1454 -7.6056 -7.6051 0.1535 0.1861 0.4316 0.4624 0.8870 0.8889 2.0883 2.1164 2.6862 2.7224 3.2218 3.2314 3.5402 3.5493 3.8558 3.8700 4.4135 4.4499 4.9128 4.9406 5.1146 5.1405 7.3258 7.3404 k = 0.2273 0.1312-0.0000 ( 11952 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3611 -42.3611 -9.1334 -9.1318 -7.5981 -7.5976 0.1099 0.1355 0.4585 0.4818 0.8860 0.8880 2.0834 2.1148 2.6257 2.6663 3.2157 3.2255 3.5257 3.5340 3.8414 3.8559 4.3775 4.4127 4.8783 4.9049 5.0915 5.1175 7.3892 7.4035 k = 0.2386 0.1378-0.0000 ( 11966 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3611 -42.3611 -9.1197 -9.1180 -7.5904 -7.5899 0.0631 0.0837 0.4875 0.5054 0.8851 0.8874 2.0776 2.1127 2.5648 2.6100 3.2095 3.2194 3.5129 3.5207 3.8277 3.8426 4.3428 4.3770 4.8417 4.8673 5.0682 5.0943 7.4456 7.4593 k = 0.2500 0.1443-0.0000 ( 11966 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3433 -42.3611 -42.3611 -9.1057 -9.1040 -7.5828 -7.5823 0.0146 0.0317 0.5179 0.5317 0.8845 0.8869 2.0706 2.1101 2.5040 2.5543 3.2032 3.2131 3.5017 3.5091 3.8149 3.8300 4.3093 4.3427 4.8032 4.8281 5.0448 5.0709 7.4946 7.5077 k = 0.2614 0.1509-0.0000 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0917 -9.0900 -7.5751 -7.5746 -0.0345 -0.0200 0.5493 0.5599 0.8842 0.8867 2.0622 2.1069 2.4436 2.4996 3.1969 3.2067 3.4919 3.4992 3.8028 3.8182 4.2770 4.3097 4.7629 4.7872 5.0215 5.0474 7.5361 7.5486 k = 0.2727 0.1575-0.0000 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4661 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0776 -9.0759 -7.5675 -7.5669 -0.0836 -0.0711 0.5813 0.5893 0.8843 0.8868 2.0523 2.1032 2.3841 2.4467 3.1904 3.2002 3.4836 3.4910 3.7917 3.8074 4.2458 4.2782 4.7211 4.7449 4.9983 5.0239 7.5704 7.5822 k = 0.2841 0.1640-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0635 -9.0618 -7.5599 -7.5594 -0.1322 -0.1213 0.6136 0.6195 0.8849 0.8875 2.0406 2.0988 2.3259 2.3961 3.1840 3.1935 3.4766 3.4843 3.7816 3.7975 4.2158 4.2479 4.6779 4.7014 4.9754 5.0005 7.5980 7.6090 k = 0.2955 0.1706-0.0000 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0495 -9.0479 -7.5524 -7.5519 -0.1799 -0.1703 0.6458 0.6500 0.8862 0.8888 2.0268 2.0937 2.2692 2.3483 3.1775 3.1867 3.4710 3.4791 3.7724 3.7885 4.1868 4.2189 4.6336 4.6569 4.9528 4.9774 7.6194 7.6296 k = 0.3068 0.1771-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0358 -9.0342 -7.5451 -7.5446 -0.2264 -0.2179 0.6774 0.6802 0.8885 0.8911 2.0106 2.0877 2.2145 2.3040 3.1710 3.1799 3.4668 3.4756 3.7642 3.7805 4.1587 4.1912 4.5886 4.6119 4.9306 4.9546 7.6355 7.6449 k = 0.3182 0.1837-0.0000 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0223 -9.0207 -7.5380 -7.5375 -0.2715 -0.2639 0.7078 0.7094 0.8924 0.8948 1.9919 2.0807 2.1624 2.2636 3.1646 3.1731 3.4641 3.4735 3.7569 3.7734 4.1316 4.1644 4.5431 4.5665 4.9089 4.9322 7.6470 7.6556 k = 0.3295 0.1903-0.0000 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -9.0091 -9.0076 -7.5311 -7.5307 -0.3148 -0.3080 0.7361 0.7368 0.8985 0.9006 1.9706 2.0710 2.1145 2.2273 3.1582 3.1663 3.4627 3.4731 3.7506 3.7673 4.1051 4.1386 4.4977 4.5213 4.8879 4.9104 7.6548 7.6626 k = 0.3409 0.1968-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -8.9963 -8.9949 -7.5245 -7.5241 -0.3562 -0.3501 0.7610 0.7612 0.9078 0.9094 1.9469 2.0492 2.0806 2.1951 3.1520 3.1596 3.4629 3.4743 3.7452 3.7620 4.0792 4.1135 4.4527 4.4766 4.8676 4.8893 7.6595 7.6667 k = 0.3523 0.2034-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -8.9841 -8.9826 -7.5182 -7.5178 -0.3956 -0.3901 0.7816 0.7816 0.9212 0.9220 1.9214 2.0098 2.0664 2.1668 3.1459 3.1531 3.4647 3.4772 3.7406 3.7574 4.0537 4.0888 4.4086 4.4329 4.8482 4.8689 7.6619 7.6684 k = 0.3636 0.2099-0.0000 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9723 -8.9710 -7.5122 -7.5118 -0.4326 -0.4277 0.7972 0.7973 0.9390 0.9390 1.8947 1.9682 2.0567 2.1419 3.1401 3.1467 3.4680 3.4818 3.7368 3.7537 4.0282 4.0643 4.3662 4.3907 4.8297 4.8493 7.6625 7.6683 k = 0.3750 0.2165-0.0000 ( 12016 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9612 -8.9600 -7.5066 -7.5062 -0.4672 -0.4628 0.8081 0.8084 0.9597 0.9606 1.8677 1.9285 2.0477 2.1198 3.1345 3.1406 3.4731 3.4881 3.7336 3.7506 4.0027 4.0395 4.3259 4.3506 4.8123 4.8307 7.6618 7.6670 k = 0.3864 0.2231-0.0000 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9508 -8.9497 -7.5013 -7.5010 -0.4993 -0.4953 0.8155 0.8160 0.9830 0.9848 1.8411 1.8915 2.0388 2.1000 3.1292 3.1348 3.4798 3.4963 3.7310 3.7480 3.9769 4.0141 4.2884 4.3130 4.7960 4.8132 7.6602 7.6649 k = 0.3977 0.2296-0.0000 ( 12014 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9412 -8.9401 -7.4965 -7.4962 -0.5287 -0.5251 0.8204 0.8211 1.0075 1.0099 1.8156 1.8574 2.0300 2.0820 3.1243 3.1293 3.4884 3.5064 3.7288 3.7459 3.9507 3.9878 4.2544 4.2785 4.7810 4.7969 7.6581 7.6621 k = 0.4091 0.2362-0.0000 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3610 -8.9324 -8.9314 -7.4921 -7.4919 -0.5552 -0.5521 0.8237 0.8244 1.0322 1.0350 1.7919 1.8264 2.0215 2.0656 3.1198 3.1242 3.4988 3.5182 3.7268 3.7442 3.9241 3.9603 4.2244 4.2474 4.7674 4.7818 7.6556 7.6592 k = 0.4205 0.2427-0.0000 ( 12014 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3438 -43.3438 -42.3610 -42.3610 -8.9245 -8.9236 -7.4882 -7.4880 -0.5788 -0.5762 0.8258 0.8266 1.0561 1.0591 1.7702 1.7987 2.0133 2.0506 3.1157 3.1196 3.5109 3.5320 3.7247 3.7426 3.8972 3.9317 4.1987 4.2200 4.7552 4.7680 7.6530 7.6561 k = 0.4318 0.2493-0.0000 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9175 -8.9167 -7.4848 -7.4846 -0.5995 -0.5972 0.8273 0.8280 1.0784 1.0814 1.7511 1.7743 2.0059 2.0370 3.1122 3.1155 3.5249 3.5475 3.7223 3.7410 3.8706 3.9023 4.1773 4.1963 4.7446 4.7558 7.6506 7.6531 k = 0.4432 0.2559-0.0000 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9115 -8.9109 -7.4818 -7.4817 -0.6171 -0.6152 0.8283 0.8289 1.0985 1.1014 1.7347 1.7533 1.9993 2.0247 3.1092 3.1119 3.5406 3.5646 3.7190 3.7391 3.8451 3.8728 4.1602 4.1765 4.7356 4.7451 7.6483 7.6504 k = 0.4545 0.2624-0.0000 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9065 -8.9060 -7.4794 -7.4793 -0.6315 -0.6300 0.8289 0.8295 1.1159 1.1184 1.7213 1.7357 1.9939 2.0139 3.1067 3.1089 3.5577 3.5831 3.7141 3.7364 3.8219 3.8442 4.1470 4.1603 4.7284 4.7360 7.6463 7.6480 k = 0.4659 0.2690-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9026 -8.9022 -7.4775 -7.4774 -0.6427 -0.6416 0.8294 0.8298 1.1300 1.1321 1.7111 1.7216 1.9899 2.0048 3.1048 3.1064 3.5762 3.6021 3.7069 3.7319 3.8027 3.8184 4.1375 4.1475 4.7229 4.7287 7.6448 7.6461 k = 0.4773 0.2756-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8997 -8.8995 -7.4761 -7.4761 -0.6507 -0.6500 0.8297 0.8300 1.1406 1.1420 1.7042 1.7110 1.9875 1.9974 3.1035 3.1046 3.5952 3.6199 3.6980 3.7238 3.7891 3.7978 4.1314 4.1381 4.7192 4.7231 7.6437 7.6446 k = 0.4886 0.2821-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8980 -8.8979 -7.4753 -7.4753 -0.6555 -0.6551 0.8299 0.8300 1.1472 1.1479 1.7006 1.7040 1.9870 1.9920 3.1028 3.1034 3.6136 3.6312 3.6923 3.7114 3.7816 3.7850 4.1285 4.1319 4.7174 4.7193 7.6431 7.6436 k = 0.5000 0.2887-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8974 -8.8974 -7.4750 -7.4750 -0.6569 -0.6569 0.8300 0.8300 1.1497 1.1497 1.7006 1.7006 1.9885 1.9885 3.1028 3.1028 3.6281 3.6281 3.6980 3.6980 3.7800 3.7800 4.1287 4.1287 4.7174 4.7174 7.6431 7.6431 k = 0.5000 0.2887-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8974 -8.8974 -7.4750 -7.4750 -0.6569 -0.6569 0.8300 0.8300 1.1497 1.1497 1.7006 1.7006 1.9885 1.9885 3.1028 3.1028 3.6281 3.6281 3.6980 3.6980 3.7800 3.7800 4.1287 4.1287 4.7174 4.7174 7.6431 7.6431 k = 0.4933 0.3002-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8973 -8.8971 -7.4749 -7.4749 -0.6564 -0.6555 0.8260 0.8293 1.1478 1.1526 1.7011 1.7016 1.9881 1.9884 3.1000 3.1007 3.6247 3.6302 3.6805 3.7157 3.7584 3.8002 4.1261 4.1325 4.7128 4.7180 7.6499 7.6506 k = 0.4867 0.3118-0.0000 ( 12014 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8969 -8.8964 -7.4747 -7.4746 -0.6538 -0.6520 0.8175 0.8238 1.1471 1.1565 1.7030 1.7041 1.9874 1.9879 3.0922 3.0937 3.6184 3.6319 3.6651 3.7319 3.7368 3.8186 4.1248 4.1374 4.7044 4.7147 7.6709 7.6724 k = 0.4800 0.3233-0.0000 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8962 -8.8954 -7.4742 -7.4742 -0.6492 -0.6466 0.8046 0.8134 1.1477 1.1612 1.7065 1.7081 1.9862 1.9870 3.0796 3.0820 3.6070 3.6334 3.6543 3.7127 3.7491 3.8352 4.1247 4.1430 4.6924 4.7077 7.7058 7.7081 k = 0.4733 0.3349-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8951 -8.8941 -7.4736 -7.4735 -0.6427 -0.6391 0.7874 0.7981 1.1498 1.1667 1.7113 1.7136 1.9846 1.9857 3.0622 3.0656 3.5903 3.6349 3.6479 3.6905 3.7641 3.8500 4.1254 4.1488 4.6772 4.6975 7.7540 7.7574 k = 0.4667 0.3464-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8936 -8.8924 -7.4728 -7.4727 -0.6342 -0.6297 0.7662 0.7781 1.1535 1.1731 1.7176 1.7204 1.9826 1.9840 3.0402 3.0447 3.5706 3.6363 3.6415 3.6717 3.7782 3.8631 4.1267 4.1543 4.6593 4.6844 7.8149 7.8195 k = 0.4600 0.3580-0.0000 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8919 -8.8904 -7.4718 -7.4717 -0.6237 -0.6183 0.7410 0.7535 1.1587 1.1803 1.7251 1.7285 1.9803 1.9821 3.0137 3.0196 3.5499 3.6287 3.6379 3.6613 3.7916 3.8747 4.1281 4.1590 4.6394 4.6691 7.8877 7.8937 k = 0.4533 0.3695-0.0000 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8899 -8.8882 -7.4707 -7.4706 -0.6114 -0.6049 0.7120 0.7245 1.1654 1.1883 1.7338 1.7379 1.9777 1.9799 2.9832 2.9905 3.5291 3.6098 3.6395 3.6585 3.8045 3.8853 4.1291 4.1626 4.6180 4.6520 7.9714 7.9792 k = 0.4467 0.3811-0.0000 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8876 -8.8857 -7.4695 -7.4694 -0.5972 -0.5897 0.6796 0.6917 1.1736 1.1973 1.7435 1.7484 1.9749 1.9775 2.9491 2.9578 3.5086 3.5893 3.6411 3.6585 3.8171 3.8950 4.1295 4.1648 4.5956 4.6337 8.0650 8.0749 k = 0.4400 0.3926-0.0000 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8851 -8.8830 -7.4681 -7.4680 -0.5811 -0.5725 0.6439 0.6552 1.1831 1.2072 1.7541 1.7597 1.9721 1.9752 2.9118 2.9219 3.4888 3.5690 3.6427 3.6594 3.8296 3.9041 4.1293 4.1655 4.5727 4.6145 8.1674 8.1798 k = 0.4333 0.4041-0.0000 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8824 -8.8800 -7.4667 -7.4665 -0.5633 -0.5536 0.6054 0.6156 1.1939 1.2180 1.7652 1.7717 1.9695 1.9731 2.8717 2.8832 3.4696 3.5493 3.6443 3.6606 3.8423 3.9127 4.1283 4.1647 4.5496 4.5948 8.2772 8.2927 k = 0.4267 0.4157-0.0000 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8795 -8.8770 -7.4651 -7.4650 -0.5438 -0.5328 0.5643 0.5733 1.2058 1.2296 1.7766 1.7839 1.9676 1.9716 2.8294 2.8423 3.4513 3.5305 3.6458 3.6619 3.8552 3.9210 4.1269 4.1623 4.5266 4.5749 8.3928 8.4118 k = 0.4200 0.4272-0.0000 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8765 -8.8738 -7.4635 -7.4634 -0.5226 -0.5103 0.5211 0.5287 1.2187 1.2420 1.7877 1.7959 1.9667 1.9710 2.7854 2.7995 3.4339 3.5126 3.6471 3.6631 3.8685 3.9288 4.1254 4.1588 4.5038 4.5548 8.5118 8.5350 k = 0.4133 0.4388-0.0000 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8734 -8.8705 -7.4619 -7.4618 -0.4999 -0.4862 0.4761 0.4822 1.2325 1.2551 1.7980 1.8069 1.9676 1.9721 2.7400 2.7553 3.4173 3.4957 3.6484 3.6642 3.8821 3.9361 4.1241 4.1543 4.4812 4.5346 8.6299 8.6580 k = 0.4067 0.4503-0.0000 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8702 -8.8672 -7.4603 -7.4601 -0.4756 -0.4604 0.4299 0.4343 1.2471 1.2688 1.8066 1.8162 1.9710 1.9755 2.6938 2.7103 3.4017 3.4799 3.6495 3.6650 3.8960 3.9428 4.1235 4.1492 4.4588 4.5144 8.7377 8.7700 k = 0.4000 0.4619-0.0000 ( 11984 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8671 -8.8639 -7.4586 -7.4585 -0.4501 -0.4331 0.3828 0.3854 1.2622 1.2829 1.8130 1.8229 1.9777 1.9820 2.6470 2.6648 3.3872 3.4651 3.6505 3.6656 3.9099 3.9486 4.1242 4.1440 4.4367 4.4940 8.8138 8.8450 k = 0.3933 0.4734-0.0000 ( 11979 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8640 -8.8607 -7.4570 -7.4569 -0.4233 -0.4043 0.3353 0.3359 1.2776 1.2973 1.8166 1.8265 1.9880 1.9922 2.6002 2.6192 3.3737 3.4516 3.6514 3.6660 3.9237 3.9536 4.1265 4.1392 4.4147 4.4736 8.8399 8.8642 k = 0.3867 0.4850-0.0000 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8610 -8.8576 -7.4555 -7.4554 -0.3955 -0.3741 0.2862 0.2879 1.2933 1.3116 1.8175 1.8271 2.0016 2.0064 2.5536 2.5742 3.3614 3.4392 3.6522 3.6662 3.9367 3.9579 4.1301 4.1360 4.3928 4.4531 8.8337 8.8536 k = 0.3800 0.4965-0.0000 ( 11987 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8582 -8.8546 -7.4540 -7.4539 -0.3668 -0.3427 0.2368 0.2412 1.3088 1.3257 1.8159 1.8251 2.0181 2.0245 2.5076 2.5300 3.3503 3.4281 3.6530 3.6660 3.9472 3.9628 4.1306 4.1390 4.3710 4.4325 8.8165 8.8345 k = 0.3733 0.5081-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8556 -8.8519 -7.4527 -7.4526 -0.3377 -0.3102 0.1880 0.1957 1.3240 1.3392 1.8125 1.8212 2.0369 2.0459 2.4626 2.4874 3.3406 3.4184 3.6538 3.6657 3.9530 3.9704 4.1299 4.1472 4.3496 4.4121 8.7970 8.8141 k = 0.3667 0.5196-0.0000 ( 11987 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8532 -8.8495 -7.4515 -7.4514 -0.3086 -0.2767 0.1402 0.1522 1.3384 1.3517 1.8079 1.8161 2.0572 2.0698 2.4188 2.4468 3.3322 3.4101 3.6546 3.6651 3.9549 3.9795 4.1311 4.1573 4.3286 4.3920 8.7785 8.7952 k = 0.3600 0.5312-0.0000 ( 11991 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8512 -8.8474 -7.4505 -7.4503 -0.2802 -0.2426 0.0941 0.1117 1.3516 1.3628 1.8030 1.8105 2.0782 2.0956 2.3768 2.4093 3.3253 3.4033 3.6553 3.6642 3.9552 3.9877 4.1346 4.1686 4.3085 4.3725 8.7625 8.7789 k = 0.3533 0.5427-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8495 -8.8456 -7.4496 -7.4495 -0.2536 -0.2083 0.0501 0.0754 1.3632 1.3719 1.7982 1.8051 2.0987 2.1228 2.3370 2.3758 3.3199 3.3980 3.6561 3.6632 3.9548 3.9941 4.1404 4.1802 4.2901 4.3545 8.7496 8.7659 k = 0.3467 0.5543-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8482 -8.8443 -7.4490 -7.4489 -0.2310 -0.1749 0.0097 0.0456 1.3726 1.3787 1.7942 1.8005 2.1168 2.1505 2.3003 2.3484 3.3161 3.3942 3.6570 3.6621 3.9543 3.9984 4.1474 4.1906 4.2745 4.3390 8.7402 8.7564 k = 0.3400 0.5658-0.0000 ( 11965 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8474 -8.8435 -7.4486 -7.4485 -0.2151 -0.1458 -0.0237 0.0254 1.3792 1.3824 1.7915 1.7974 2.1297 2.1760 2.2693 2.3299 3.3138 3.3920 3.6579 3.6610 3.9539 4.0009 4.1538 4.1979 4.2637 4.3279 8.7345 8.7506 k = 0.3333 0.5774-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8472 -8.8432 -7.4484 -7.4483 -0.2094 -0.1321 -0.0389 0.0182 1.3820 1.3833 1.7905 1.7962 2.1344 2.1892 2.2542 2.3233 3.3130 3.3912 3.6585 3.6603 3.9537 4.0016 4.1565 4.2005 4.2599 4.3237 8.7326 8.7487 k = 0.3333 0.5774-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8472 -8.8432 -7.4484 -7.4483 -0.2094 -0.1321 -0.0389 0.0182 1.3820 1.3833 1.7905 1.7962 2.1344 2.1892 2.2542 2.3233 3.3130 3.3912 3.6585 3.6603 3.9537 4.0016 4.1565 4.2005 4.2599 4.3237 8.7326 8.7487 k = 0.3267 0.5658-0.0000 ( 11973 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8474 -8.8435 -7.4486 -7.4485 -0.2148 -0.1452 -0.0243 0.0251 1.3791 1.3823 1.7916 1.7974 2.1300 2.1767 2.2687 2.3296 3.3138 3.3919 3.6579 3.6610 3.9539 4.0009 4.1537 4.1979 4.2638 4.3280 8.7345 8.7506 k = 0.3200 0.5543-0.0000 ( 11969 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8483 -8.8445 -7.4490 -7.4489 -0.2287 -0.1716 0.0066 0.0436 1.3719 1.3778 1.7950 1.8010 2.1188 2.1537 2.2974 2.3466 3.3160 3.3941 3.6571 3.6624 3.9544 3.9988 4.1469 4.1903 4.2752 4.3396 8.7402 8.7564 k = 0.3133 0.5427-0.0000 ( 11981 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8499 -8.8460 -7.4498 -7.4497 -0.2472 -0.2001 0.0426 0.0698 1.3608 1.3691 1.8007 1.8068 2.1043 2.1307 2.3302 2.3707 3.3196 3.3975 3.6565 3.6642 3.9552 3.9952 4.1391 4.1796 4.2922 4.3564 8.7497 8.7659 k = 0.3067 0.5312-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8521 -8.8483 -7.4509 -7.4508 -0.2672 -0.2274 0.0806 0.1007 1.3460 1.3564 1.8085 1.8146 2.0891 2.1102 2.3648 2.3992 3.3245 3.4021 3.6564 3.6662 3.9561 3.9903 4.1324 4.1678 4.3128 4.3765 8.7629 8.7792 k = 0.3000 0.5196-0.0000 ( 11985 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8550 -8.8513 -7.4523 -7.4522 -0.2868 -0.2524 0.1193 0.1343 1.3280 1.3398 1.8178 1.8243 2.0746 2.0935 2.4004 2.4306 3.3306 3.4076 3.6570 3.6686 3.9569 3.9842 4.1280 4.1566 4.3359 4.3988 8.7795 8.7959 k = 0.2933 0.5081-0.0000 ( 11985 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8587 -8.8550 -7.4542 -7.4540 -0.3049 -0.2747 0.1583 0.1695 1.3070 1.3199 1.8277 1.8358 2.0615 2.0812 2.4367 2.4637 3.3377 3.4140 3.6583 3.6712 3.9573 3.9777 4.1265 4.1471 4.3607 4.4227 8.7994 8.8160 k = 0.2867 0.4965-0.0000 ( 11985 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8631 -8.8595 -7.4563 -7.4562 -0.3207 -0.2938 0.1971 0.2057 1.2833 1.2969 1.8375 1.8490 2.0504 2.0734 2.4735 2.4982 3.3456 3.4209 3.6606 3.6739 3.9570 3.9716 4.1279 4.1403 4.3867 4.4478 8.8221 8.8391 k = 0.2800 0.4850-0.0000 ( 11991 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8682 -8.8647 -7.4589 -7.4587 -0.3339 -0.3098 0.2356 0.2423 1.2573 1.2712 1.8470 1.8636 2.0419 2.0702 2.5106 2.5334 3.3540 3.4282 3.6637 3.6767 3.9557 3.9672 4.1318 4.1370 4.4138 4.4739 8.8473 8.8648 k = 0.2733 0.4734-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8742 -8.8707 -7.4618 -7.4616 -0.3442 -0.3223 0.2735 0.2791 1.2294 1.2433 1.8561 1.8791 2.0362 2.0711 2.5478 2.5692 3.3628 3.4355 3.6677 3.6793 3.9542 3.9649 4.1356 4.1399 4.4417 4.5008 8.8740 8.8924 k = 0.2667 0.4619-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8809 -8.8775 -7.4652 -7.4649 -0.3512 -0.3315 0.3106 0.3157 1.1998 1.2134 1.8650 1.8954 2.0334 2.0759 2.5852 2.6054 3.3718 3.4427 3.6720 3.6817 3.9544 3.9644 4.1398 4.1484 4.4703 4.5283 8.9011 8.9209 k = 0.2600 0.4503-0.0000 ( 11995 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8883 -8.8851 -7.4689 -7.4686 -0.3551 -0.3371 0.3468 0.3519 1.1688 1.1819 1.8739 1.9123 2.0335 2.0841 2.6224 2.6416 3.3808 3.4497 3.6756 3.6845 3.9576 3.9657 4.1473 4.1594 4.4995 4.5565 8.9264 8.9485 k = 0.2533 0.4388-0.0000 ( 12003 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8966 -8.8934 -7.4730 -7.4727 -0.3555 -0.3392 0.3819 0.3874 1.1366 1.1490 1.8832 1.9298 2.0364 2.0953 2.6595 2.6779 3.3895 3.4564 3.6770 3.6887 3.9644 3.9698 4.1582 4.1725 4.5292 4.5851 8.9462 8.9723 k = 0.2467 0.4272-0.0000 ( 12001 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3436 -42.3610 -42.3610 -8.9055 -8.9025 -7.4775 -7.4772 -0.3526 -0.3377 0.4159 0.4218 1.1036 1.1151 1.8931 1.9479 2.0419 2.1090 2.6963 2.7139 3.3979 3.4627 3.6762 3.6936 3.9728 3.9795 4.1724 4.1875 4.5594 4.6142 8.9545 8.9869 k = 0.2400 0.4157-0.0000 ( 11999 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4663 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9152 -8.9123 -7.4824 -7.4820 -0.3462 -0.3327 0.4486 0.4551 1.0698 1.0804 1.9039 1.9667 2.0498 2.1249 2.7327 2.7496 3.4059 3.4687 3.6739 3.6985 3.9828 3.9955 4.1897 4.2046 4.5898 4.6436 8.9446 8.9849 k = 0.2333 0.4041-0.0000 ( 11999 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4663 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9256 -8.9227 -7.4876 -7.4872 -0.3365 -0.3242 0.4799 0.4869 1.0356 1.0453 1.9156 1.9858 2.0603 2.1428 2.7685 2.7847 3.4134 3.4745 3.6708 3.7028 3.9958 4.0160 4.2099 4.2238 4.6206 4.6734 8.9139 8.9606 k = 0.2267 0.3926-0.0000 ( 12003 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9366 -8.9338 -7.4932 -7.4928 -0.3234 -0.3122 0.5095 0.5169 1.0013 1.0099 1.9283 2.0048 2.0738 2.1625 2.8036 2.8192 3.4206 3.4800 3.6675 3.7064 4.0121 4.0403 4.2332 4.2452 4.6515 4.7033 8.8659 8.9151 k = 0.2200 0.3811-0.0000 ( 11999 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3438 -43.3436 -42.3611 -42.3611 -8.9482 -8.9455 -7.4991 -7.4987 -0.3070 -0.2968 0.5372 0.5450 0.9673 0.9747 1.9418 2.0225 2.0912 2.1842 2.8380 2.8530 3.4274 3.4854 3.6644 3.7095 4.0317 4.0675 4.2593 4.2693 4.6826 4.7334 8.8056 8.8539 k = 0.2133 0.3695-0.0000 ( 11991 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3438 -43.3436 -42.3611 -42.3611 -8.9604 -8.9578 -7.5053 -7.5049 -0.2874 -0.2780 0.5626 0.5707 0.9339 0.9401 1.9560 2.0382 2.1133 2.2079 2.8714 2.8858 3.4338 3.4907 3.6620 3.7123 4.0539 4.0967 4.2883 4.2961 4.7138 4.7636 8.7366 8.7819 k = 0.2067 0.3580-0.0000 ( 11989 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3438 -43.3435 -42.3611 -42.3611 -8.9730 -8.9706 -7.5119 -7.5114 -0.2646 -0.2560 0.5852 0.5935 0.9017 0.9067 1.9704 2.0515 2.1404 2.2338 2.9038 2.9176 3.4401 3.4960 3.6607 3.7152 4.0783 4.1273 4.3198 4.3263 4.7449 4.7937 8.6613 8.7024 k = 0.2000 0.3464-0.0000 ( 11991 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3437 -43.3435 -42.3611 -42.3611 -8.9862 -8.9838 -7.5187 -7.5182 -0.2389 -0.2308 0.6041 0.6124 0.8717 0.8756 1.9848 2.0627 2.1719 2.2622 2.9351 2.9482 3.4462 3.5011 3.6610 3.7187 4.1043 4.1586 4.3537 4.3600 4.7759 4.8238 8.5808 8.6172 k = 0.1933 0.3349-0.0000 ( 11981 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3437 -43.3435 -42.3611 -42.3611 -8.9997 -8.9974 -7.5257 -7.5253 -0.2104 -0.2026 0.6182 0.6263 0.8452 0.8482 1.9989 2.0722 2.2075 2.2931 2.9651 2.9775 3.4523 3.5061 3.6632 3.7230 4.1315 4.1899 4.3901 4.3972 4.8068 4.8538 8.4959 8.5277 k = 0.1867 0.3233-0.0000 ( 11985 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3437 -43.3435 -42.3611 -42.3611 -9.0135 -9.0113 -7.5330 -7.5325 -0.1792 -0.1714 0.6257 0.6330 0.8241 0.8266 2.0124 2.0804 2.2465 2.3269 2.9937 3.0055 3.4583 3.5111 3.6674 3.7285 4.1596 4.2210 4.4290 4.4373 4.8374 4.8835 8.4073 8.4347 k = 0.1800 0.3118-0.0000 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3436 -43.3434 -42.3611 -42.3611 -9.0277 -9.0255 -7.5405 -7.5400 -0.1456 -0.1374 0.6247 0.6307 0.8103 0.8128 2.0251 2.0876 2.2886 2.3635 3.0209 3.0320 3.4645 3.5160 3.6739 3.7354 4.1882 4.2517 4.4704 4.4799 4.8676 4.9129 8.3153 8.3389 k = 0.1733 0.3002-0.0000 ( 11987 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3436 -43.3434 -42.3611 -42.3611 -9.0420 -9.0399 -7.5481 -7.5476 -0.1097 -0.1009 0.6145 0.6190 0.8045 0.8076 2.0367 2.0937 2.3336 2.4029 3.0467 3.0570 3.4709 3.5211 3.6826 3.7438 4.2174 4.2821 4.5139 4.5245 4.8975 4.9419 8.2205 8.2409 k = 0.1667 0.2887-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3434 -42.3611 -42.3611 -9.0565 -9.0544 -7.5559 -7.5554 -0.0719 -0.0620 0.5960 0.6003 0.8054 0.8093 2.0473 2.0991 2.3811 2.4450 3.0709 3.0804 3.4777 3.5264 3.6936 3.7538 4.2470 4.3122 4.5590 4.5706 4.9269 4.9705 8.1232 8.1412 k = 0.1600 0.2771-0.0000 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4662 -43.4660 -43.3435 -43.3434 -42.3611 -42.3611 -9.0710 -9.0690 -7.5637 -7.5632 -0.0324 -0.0209 0.5717 0.5777 0.8106 0.8151 2.0567 2.1036 2.4308 2.4896 3.0935 3.1023 3.4850 3.5321 3.7067 3.7654 4.2771 4.3422 4.6051 4.6178 4.9558 4.9986 8.0238 8.0401 k = 0.1533 0.2656-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4661 -43.4660 -43.3435 -43.3433 -42.3611 -42.3611 -9.0856 -9.0837 -7.5716 -7.5711 0.0085 0.0220 0.5442 0.5530 0.8182 0.8231 2.0650 2.1075 2.4825 2.5365 3.1145 3.1227 3.4930 3.5386 3.7216 3.7785 4.3077 4.3724 4.6518 4.6657 4.9840 5.0261 7.9227 7.9380 k = 0.1467 0.2540-0.0000 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3433 -42.3611 -42.3611 -9.1001 -9.0982 -7.5796 -7.5791 0.0502 0.0664 0.5155 0.5278 0.8267 0.8318 2.0723 2.1107 2.5358 2.5852 3.1340 3.1415 3.5020 3.5460 3.7383 3.7931 4.3388 4.4028 4.6984 4.7138 5.0117 5.0529 7.8202 7.8350 k = 0.1400 0.2425-0.0000 ( 11965 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3433 -42.3611 -42.3611 -9.1145 -9.1127 -7.5875 -7.5870 0.0920 0.1121 0.4864 0.5033 0.8354 0.8405 2.0786 2.1133 2.5903 2.6354 3.1519 3.1590 3.5121 3.5546 3.7565 3.8089 4.3706 4.4338 4.7444 4.7616 5.0386 5.0791 7.7166 7.7314 k = 0.1333 0.2309-0.0000 ( 11957 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3611 -42.3611 -9.1287 -9.1269 -7.5954 -7.5948 0.1331 0.1584 0.4579 0.4808 0.8438 0.8489 2.0840 2.1154 2.6455 2.6865 3.1682 3.1750 3.5237 3.5646 3.7758 3.8259 4.4031 4.4653 4.7895 4.8087 5.0648 5.1045 7.6124 7.6273 k = 0.1267 0.2194-0.0000 ( 11963 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3432 -42.3611 -42.3611 -9.1426 -9.1409 -7.6031 -7.6026 0.1719 0.2047 0.4308 0.4619 0.8518 0.8567 2.0886 2.1169 2.7010 2.7380 3.1831 3.1898 3.5369 3.5763 3.7962 3.8437 4.4363 4.4977 4.8331 4.8547 5.0902 5.1292 7.5077 7.5228 k = 0.1200 0.2078-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4659 -43.3433 -43.3432 -42.3612 -42.3612 -9.1562 -9.1546 -7.6108 -7.6103 0.2057 0.2494 0.4065 0.4490 0.8591 0.8639 2.0924 2.1181 2.7561 2.7893 3.1966 3.2033 3.5521 3.5900 3.8174 3.8622 4.4705 4.5310 4.8749 4.8992 5.1150 5.1531 7.4029 7.4181 k = 0.1133 0.1963-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1695 -9.1679 -7.6182 -7.6177 0.2311 0.2877 0.3897 0.4457 0.8659 0.8705 2.0956 2.1188 2.8104 2.8397 3.2088 3.2157 3.5695 3.6060 3.8391 3.8812 4.5056 4.5654 4.9145 4.9419 5.1390 5.1761 7.2980 7.3134 k = 0.1067 0.1848-0.0000 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3431 -42.3612 -42.3612 -9.1823 -9.1808 -7.6255 -7.6250 0.2446 0.3053 0.3945 0.4553 0.8721 0.8764 2.0982 2.1192 2.8632 2.8885 3.2200 3.2269 3.5893 3.6243 3.8611 3.9004 4.5417 4.6011 4.9517 4.9825 5.1623 5.1984 7.1934 7.2089 k = 0.1000 0.1732-0.0000 ( 11973 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3431 -42.3612 -42.3612 -9.1946 -9.1931 -7.6325 -7.6321 0.2461 0.2970 0.4259 0.4774 0.8778 0.8818 2.1003 2.1193 2.9137 2.9352 3.2301 3.2371 3.6117 3.6453 3.8833 3.9198 4.5788 4.6380 4.9863 5.0206 5.1850 5.2197 7.0891 7.1048 k = 0.0933 0.1617-0.0000 ( 11973 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.2064 -9.2050 -7.6393 -7.6388 0.2391 0.2789 0.4673 0.5083 0.8831 0.8868 2.1020 2.1191 2.9613 2.9790 3.2394 3.2463 3.6369 3.6690 3.9056 3.9392 4.6171 4.6764 5.0180 5.0563 5.2069 5.2402 6.9855 7.0011 k = 0.0867 0.1501-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.2176 -9.2162 -7.6457 -7.6453 0.2274 0.2589 0.5106 0.5437 0.8881 0.8914 2.1033 2.1187 3.0053 3.0195 3.2479 3.2546 3.6647 3.6952 3.9277 3.9584 4.6564 4.7163 5.0468 5.0894 5.2282 5.2597 6.8828 6.8983 k = 0.0800 0.1386-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3430 -42.3612 -42.3612 -9.2281 -9.2269 -7.6518 -7.6514 0.2136 0.2391 0.5533 0.5809 0.8929 0.8959 2.1043 2.1182 3.0454 3.0561 3.2559 3.2622 3.6948 3.7239 3.9497 3.9773 4.6967 4.7576 5.0729 5.1200 5.2487 5.2781 6.7811 6.7966 k = 0.0733 0.1270-0.0000 ( 11983 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2380 -9.2368 -7.6575 -7.6572 0.1992 0.2202 0.5943 0.6178 0.8977 0.9004 2.1050 2.1175 3.0811 3.0887 3.2633 3.2691 3.7268 3.7543 3.9715 3.9960 4.7378 4.8003 5.0962 5.1484 5.2684 5.2953 6.6807 6.6962 k = 0.0667 0.1155-0.0000 ( 11971 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2471 -9.2460 -7.6628 -7.6625 0.1850 0.2025 0.6329 0.6531 0.9027 0.9051 2.1056 2.1167 3.1123 3.1171 3.2704 3.2755 3.7599 3.7858 3.9932 4.0144 4.7795 4.8441 5.1173 5.1748 5.2871 5.3113 6.5821 6.5974 k = 0.0600 0.1039-0.0000 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2555 -9.2545 -7.6677 -7.6675 0.1715 0.1862 0.6683 0.6858 0.9081 0.9102 2.1060 2.1158 3.1388 3.1415 3.2771 3.2814 3.7933 3.8172 4.0147 4.0325 4.8214 4.8885 5.1366 5.1999 5.3047 5.3258 6.4855 6.5008 k = 0.0533 0.0924-0.0000 ( 11967 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2630 -9.2622 -7.6722 -7.6719 0.1590 0.1713 0.7000 0.7152 0.9141 0.9159 2.1063 2.1149 3.1609 3.1622 3.2836 3.2870 3.8259 3.8474 4.0361 4.0505 4.8629 4.9327 5.1550 5.2242 5.3209 5.3388 6.3914 6.4066 k = 0.0467 0.0808-0.0000 ( 11969 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2698 -9.2690 -7.6762 -7.6759 0.1478 0.1581 0.7276 0.7407 0.9208 0.9223 2.1065 2.1139 3.1785 3.1797 3.2897 3.2923 3.8565 3.8754 4.0572 4.0682 4.9033 4.9752 5.1737 5.2486 5.3357 5.3502 6.3005 6.3157 k = 0.0400 0.0693-0.0000 ( 11967 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2757 -9.2750 -7.6797 -7.6795 0.1379 0.1464 0.7508 0.7618 0.9282 0.9294 2.1067 2.1130 3.1923 3.1940 3.2954 3.2972 3.8842 3.9002 4.0780 4.0857 4.9416 5.0137 5.1948 5.2736 5.3488 5.3601 6.2134 6.2286 k = 0.0333 0.0577-0.0000 ( 11965 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2807 -9.2802 -7.6826 -7.6825 0.1296 0.1364 0.7696 0.7785 0.9361 0.9369 2.1069 2.1121 3.2031 3.2052 3.3006 3.3017 3.9081 3.9211 4.0976 4.1026 4.9767 5.0454 5.2204 5.2997 5.3601 5.3686 6.1315 6.1465 k = 0.0267 0.0462-0.0000 ( 11969 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2848 -9.2844 -7.6851 -7.6850 0.1227 0.1281 0.7841 0.7911 0.9439 0.9444 2.1071 2.1113 3.2115 3.2136 3.3051 3.3057 3.9278 3.9379 4.1155 4.1182 5.0078 5.0681 5.2513 5.3264 5.3691 5.3767 6.0564 6.0709 k = 0.0200 0.0346-0.0000 ( 11981 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2880 -9.2877 -7.6870 -7.6869 0.1175 0.1214 0.7948 0.7999 0.9510 0.9512 2.1073 2.1105 3.2177 3.2195 3.3087 3.3090 3.9432 3.9504 4.1306 4.1318 5.0340 5.0818 5.2854 5.3513 5.3762 5.3850 5.9908 6.0040 k = 0.0133 0.0231-0.0000 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2903 -9.2901 -7.6884 -7.6883 0.1139 0.1165 0.8023 0.8056 0.9566 0.9566 2.1077 2.1097 3.2221 3.2234 3.3114 3.3115 3.9543 3.9589 4.1421 4.1425 5.0550 5.0877 5.3181 5.3657 5.3870 5.3935 5.9386 5.9492 k = 0.0067 0.0115-0.0000 ( 11977 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2917 -9.2916 -7.6892 -7.6892 0.1120 0.1133 0.8068 0.8085 0.9602 0.9602 2.1081 2.1091 3.2248 3.2255 3.3130 3.3130 3.9613 3.9635 4.1492 4.1493 5.0708 5.0873 5.3438 5.3666 5.4002 5.4014 5.9051 5.9112 k = 0.0000 0.0000 0.0000 ( 11963 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2921 -9.2921 -7.6895 -7.6895 0.1118 0.1118 0.8088 0.8088 0.9614 0.9614 2.1085 2.1085 3.2259 3.2259 3.3136 3.3136 3.9643 3.9643 4.1516 4.1516 5.0816 5.0816 5.3596 5.3596 5.4052 5.4052 5.8955 5.8955 k = 0.0000 0.0000 0.0000 ( 11963 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2921 -9.2921 -7.6895 -7.6895 0.1118 0.1118 0.8088 0.8088 0.9614 0.9614 2.1085 2.1085 3.2259 3.2259 3.3136 3.3136 3.9643 3.9643 4.1516 4.1516 5.0816 5.0816 5.3596 5.3596 5.4052 5.4052 5.8955 5.8955 k = 0.0000 0.0000 0.0132 ( 11975 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2920 -9.2920 -7.6897 -7.6897 0.1133 0.1133 0.8089 0.8089 0.9614 0.9614 2.1064 2.1064 3.2254 3.2254 3.3128 3.3134 3.9652 3.9652 4.1521 4.1531 5.0777 5.0777 5.3588 5.3588 5.4047 5.4053 5.9013 5.9013 k = 0.0000 0.0000 0.0264 ( 11987 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2915 -9.2915 -7.6905 -7.6905 0.1179 0.1179 0.8090 0.8090 0.9614 0.9614 2.1001 2.1001 3.2238 3.2238 3.3111 3.3121 3.9680 3.9680 4.1543 4.1564 5.0665 5.0665 5.3568 5.3568 5.4037 5.4049 5.9182 5.9182 k = 0.0000 0.0000 0.0396 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2909 -9.2909 -7.6918 -7.6918 0.1255 0.1255 0.8091 0.8091 0.9614 0.9615 2.0896 2.0896 3.2212 3.2212 3.3084 3.3100 3.9726 3.9726 4.1584 4.1614 5.0489 5.0489 5.3538 5.3538 5.4023 5.4040 5.9449 5.9449 k = 0.0000 0.0000 0.0528 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2899 -9.2899 -7.6935 -7.6935 0.1361 0.1361 0.8093 0.8093 0.9614 0.9615 2.0750 2.0750 3.2177 3.2177 3.3049 3.3069 3.9788 3.9788 4.1642 4.1681 5.0262 5.0262 5.3502 5.3502 5.4005 5.4028 5.9795 5.9795 k = 0.0000 0.0000 0.0659 ( 11969 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2888 -9.2888 -7.6957 -7.6957 0.1495 0.1495 0.8096 0.8096 0.9614 0.9615 2.0564 2.0564 3.2133 3.2133 3.3006 3.3030 3.9865 3.9865 4.1716 4.1763 4.9999 4.9999 5.3464 5.3464 5.3983 5.4010 6.0201 6.0201 k = 0.0000 0.0000 0.0791 ( 11963 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2874 -9.2874 -7.6983 -7.6983 0.1658 0.1658 0.8099 0.8099 0.9614 0.9616 2.0340 2.0340 3.2082 3.2082 3.2957 3.2985 3.9957 3.9957 4.1805 4.1859 4.9713 4.9713 5.3425 5.3425 5.3957 5.3989 6.0649 6.0649 k = 0.0000 0.0000 0.0923 ( 11981 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2858 -9.2858 -7.7013 -7.7013 0.1849 0.1849 0.8103 0.8103 0.9615 0.9616 2.0079 2.0079 3.2025 3.2025 3.2903 3.2933 4.0060 4.0060 4.1907 4.1967 4.9416 4.9416 5.3386 5.3386 5.3927 5.3964 6.1124 6.1124 k = 0.0000 0.0000 0.1055 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2840 -9.2840 -7.7046 -7.7046 0.2065 0.2065 0.8108 0.8108 0.9615 0.9616 1.9784 1.9784 3.1964 3.1964 3.2844 3.2876 4.0173 4.0173 4.2019 4.2085 4.9119 4.9119 5.3346 5.3346 5.3895 5.3935 6.1613 6.1613 k = 0.0000 0.0000 0.1187 ( 11993 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2820 -9.2820 -7.7082 -7.7082 0.2305 0.2305 0.8115 0.8115 0.9615 0.9617 1.9457 1.9457 3.1899 3.1899 3.2782 3.2816 4.0294 4.0294 4.2140 4.2211 4.8828 4.8828 5.3305 5.3305 5.3859 5.3903 6.2106 6.2106 k = 0.0000 0.0000 0.1319 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2800 -9.2800 -7.7120 -7.7120 0.2568 0.2568 0.8122 0.8122 0.9616 0.9617 1.9101 1.9101 3.1833 3.1833 3.2719 3.2754 4.0421 4.0421 4.2269 4.2342 4.8549 4.8549 5.3265 5.3265 5.3822 5.3869 6.2593 6.2593 k = 0.0000 0.0000 0.1451 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2779 -9.2779 -7.7159 -7.7159 0.2851 0.2851 0.8132 0.8132 0.9616 0.9618 1.8721 1.8721 3.1765 3.1765 3.2655 3.2690 4.0551 4.0551 4.2401 4.2477 4.8286 4.8286 5.3224 5.3224 5.3783 5.3832 6.3068 6.3068 k = 0.0000 0.0000 0.1583 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2757 -9.2757 -7.7199 -7.7199 0.3152 0.3152 0.8143 0.8143 0.9617 0.9618 1.8318 1.8318 3.1699 3.1699 3.2592 3.2626 4.0682 4.0682 4.2537 4.2612 4.8042 4.8042 5.3183 5.3183 5.3743 5.3793 6.3525 6.3525 k = 0.0000 0.0000 0.1714 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2735 -9.2735 -7.7239 -7.7239 0.3467 0.3467 0.8156 0.8156 0.9617 0.9619 1.7899 1.7899 3.1633 3.1633 3.2531 3.2564 4.0812 4.0812 4.2672 4.2747 4.7819 4.7819 5.3143 5.3143 5.3702 5.3752 6.3959 6.3959 k = 0.0000 0.0000 0.1846 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2714 -9.2714 -7.7279 -7.7279 0.3792 0.3792 0.8173 0.8173 0.9617 0.9619 1.7467 1.7467 3.1571 3.1571 3.2472 3.2504 4.0940 4.0940 4.2805 4.2879 4.7616 4.7616 5.3104 5.3104 5.3662 5.3712 6.4365 6.4365 k = 0.0000 0.0000 0.1978 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2693 -9.2693 -7.7317 -7.7317 0.4123 0.4123 0.8193 0.8193 0.9618 0.9619 1.7029 1.7029 3.1512 3.1512 3.2416 3.2446 4.1062 4.1062 4.2934 4.3005 4.7435 4.7435 5.3066 5.3066 5.3623 5.3671 6.4741 6.4741 k = 0.0000 0.0000 0.2110 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2673 -9.2673 -7.7353 -7.7353 0.4453 0.4453 0.8218 0.8218 0.9618 0.9620 1.6591 1.6591 3.1457 3.1457 3.2365 3.2392 4.1178 4.1178 4.3057 4.3124 4.7275 4.7275 5.3030 5.3030 5.3585 5.3631 6.5083 6.5083 k = 0.0000 0.0000 0.2242 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2655 -9.2655 -7.7386 -7.7386 0.4777 0.4777 0.8248 0.8248 0.9619 0.9620 1.6160 1.6160 3.1407 3.1407 3.2318 3.2343 4.1284 4.1284 4.3172 4.3233 4.7136 4.7136 5.2996 5.2996 5.3551 5.3593 6.5390 6.5390 k = 0.0000 0.0000 0.2374 ( 11962 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2638 -9.2638 -7.7417 -7.7417 0.5086 0.5086 0.8284 0.8284 0.9619 0.9620 1.5746 1.5746 3.1362 3.1362 3.2277 3.2299 4.1380 4.1380 4.3277 4.3331 4.7018 4.7018 5.2965 5.2965 5.3519 5.3558 6.5659 6.5659 k = 0.0000 0.0000 0.2506 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2623 -9.2623 -7.7444 -7.7444 0.5370 0.5370 0.8326 0.8326 0.9620 0.9621 1.5359 1.5359 3.1324 3.1324 3.2242 3.2260 4.1464 4.1464 4.3369 4.3416 4.6919 4.6919 5.2938 5.2938 5.3492 5.3525 6.5888 6.5888 k = 0.0000 0.0000 0.2638 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2611 -9.2611 -7.7466 -7.7466 0.5619 0.5619 0.8373 0.8373 0.9620 0.9621 1.5010 1.5010 3.1292 3.1292 3.2213 3.2228 4.1535 4.1535 4.3448 4.3487 4.6839 4.6839 5.2915 5.2915 5.3469 5.3497 6.6078 6.6078 k = 0.0000 0.0000 0.2769 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2601 -9.2601 -7.7484 -7.7484 0.5824 0.5824 0.8422 0.8422 0.9620 0.9621 1.4716 1.4716 3.1267 3.1267 3.2190 3.2202 4.1591 4.1591 4.3512 4.3542 4.6778 4.6778 5.2896 5.2896 5.3452 5.3473 6.6226 6.6226 k = 0.0000 0.0000 0.2901 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2594 -9.2594 -7.7497 -7.7497 0.5977 0.5977 0.8466 0.8466 0.9620 0.9621 1.4490 1.4490 3.1248 3.1248 3.2174 3.2182 4.1632 4.1632 4.3561 4.3581 4.6735 4.6735 5.2883 5.2883 5.3440 5.3454 6.6333 6.6333 k = 0.0000 0.0000 0.3033 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2589 -9.2589 -7.7505 -7.7505 0.6070 0.6070 0.8497 0.8497 0.9621 0.9621 1.4347 1.4347 3.1237 3.1237 3.2166 3.2170 4.1657 4.1657 4.3592 4.3602 4.6709 4.6709 5.2875 5.2875 5.3434 5.3442 6.6397 6.6397 k = 0.0000 0.0000 0.3165 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2588 -9.2588 -7.7508 -7.7508 0.6102 0.6102 0.8508 0.8508 0.9621 0.9621 1.4298 1.4298 3.1234 3.1234 3.2164 3.2164 4.1665 4.1665 4.3606 4.3606 4.6700 4.6700 5.2872 5.2872 5.3435 5.3435 6.6418 6.6418 k = 0.0000 0.0000 0.3165 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2588 -9.2588 -7.7508 -7.7508 0.6102 0.6102 0.8508 0.8508 0.9621 0.9621 1.4298 1.4298 3.1234 3.1234 3.2164 3.2164 4.1665 4.1665 4.3606 4.3606 4.6700 4.6700 5.2872 5.2872 5.3435 5.3435 6.6418 6.6418 k = 0.0114 0.0066 0.3165 ( 11958 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2584 -9.2583 -7.7505 -7.7504 0.6051 0.6149 0.8403 0.8582 0.9602 0.9605 1.4271 1.4365 3.1213 3.1244 3.2160 3.2160 4.1645 4.1655 4.3587 4.3587 4.6701 4.6706 5.2828 5.2850 5.3398 5.3400 6.6476 6.6510 k = 0.0227 0.0131 0.3165 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2572 -9.2569 -7.7495 -7.7495 0.5994 0.6194 0.8259 0.8630 0.9544 0.9564 1.4286 1.4469 3.1181 3.1243 3.2149 3.2149 4.1594 4.1615 4.3532 4.3533 4.6710 4.6718 5.2709 5.2761 5.3296 5.3309 6.6678 6.6744 k = 0.0341 0.0197 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2551 -9.2547 -7.7478 -7.7478 0.5926 0.6237 0.8070 0.8656 0.9451 0.9512 1.4340 1.4602 3.1138 3.1232 3.2130 3.2130 4.1510 4.1543 4.3444 4.3446 4.6724 4.6735 5.2502 5.2592 5.3150 5.3186 6.7015 6.7110 k = 0.0455 0.0262 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2522 -9.2516 -7.7455 -7.7455 0.5842 0.6280 0.7831 0.8658 0.9335 0.9458 1.4428 1.4757 3.1083 3.1210 3.2104 3.2105 4.1391 4.1439 4.3329 4.3334 4.6743 4.6756 5.2205 5.2332 5.2988 5.3049 6.7471 6.7590 k = 0.0568 0.0328 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2484 -9.2478 -7.7426 -7.7426 0.5737 0.6320 0.7546 0.8630 0.9217 0.9410 1.4543 1.4928 3.1016 3.1175 3.2071 3.2073 4.1235 4.1301 4.3193 4.3202 4.6766 4.6781 5.1833 5.1987 5.2819 5.2900 6.8025 6.8164 k = 0.0682 0.0394 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2438 -9.2430 -7.7390 -7.7390 0.5602 0.6349 0.7227 0.8562 0.9121 0.9371 1.4677 1.5109 3.0935 3.1127 3.2033 3.2035 4.1040 4.1128 4.3044 4.3059 4.6792 4.6806 5.1405 5.1579 5.2641 5.2737 6.8661 6.8815 k = 0.0795 0.0459 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2384 -9.2375 -7.7348 -7.7348 0.5429 0.6337 0.6908 0.8456 0.9061 0.9339 1.4825 1.5295 3.0839 3.1066 3.1989 3.1993 4.0808 4.0920 4.2888 4.2911 4.6818 4.6831 5.0938 5.1126 5.2448 5.2557 6.9358 6.9524 k = 0.0909 0.0525 0.3165 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2322 -9.2312 -7.7300 -7.7300 0.5212 0.6172 0.6710 0.8333 0.9031 0.9315 1.4981 1.5483 3.0728 3.0988 3.1941 3.1946 4.0539 4.0678 4.2729 4.2761 4.6845 4.6854 5.0447 5.0645 5.2238 5.2361 7.0100 7.0274 k = 0.1023 0.0590 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2253 -9.2242 -7.7247 -7.7247 0.4944 0.5807 0.6683 0.8214 0.9020 0.9297 1.5141 1.5669 3.0599 3.0894 3.1891 3.1895 4.0240 4.0409 4.2571 4.2613 4.6870 4.6875 4.9942 5.0146 5.2013 5.2147 7.0870 7.1049 k = 0.1136 0.0656 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2177 -9.2164 -7.7188 -7.7188 0.4625 0.5356 0.6718 0.8113 0.9018 0.9283 1.5301 1.5853 3.0452 3.0781 3.1838 3.1843 3.9917 4.0116 4.2416 4.2467 4.6889 4.6892 4.9432 4.9640 5.1772 5.1917 7.1652 7.1835 k = 0.1250 0.0722 0.3165 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2093 -9.2080 -7.7124 -7.7123 0.4258 0.4866 0.6771 0.8036 0.9022 0.9273 1.5460 1.6032 3.0286 3.0648 3.1786 3.1788 3.9578 3.9807 4.2262 4.2323 4.6895 4.6910 4.8927 4.9133 5.1516 5.1674 7.2433 7.2615 k = 0.1364 0.0787 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2003 -9.1989 -7.7054 -7.7054 0.3848 0.4352 0.6831 0.7981 0.9029 0.9267 1.5615 1.6205 3.0099 3.0493 3.1733 3.1733 3.9229 3.9490 4.2111 4.2181 4.6884 4.6919 4.8438 4.8632 5.1249 5.1417 7.3195 7.3375 k = 0.1477 0.0853 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1907 -9.1892 -7.6980 -7.6980 0.3401 0.3819 0.6895 0.7947 0.9040 0.9263 1.5765 1.6372 2.9891 3.0317 3.1678 3.1681 3.8880 3.9171 4.1960 4.2039 4.6840 4.6914 4.7983 4.8149 5.0971 5.1150 7.3925 7.4100 k = 0.1591 0.0919 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1804 -9.1789 -7.6902 -7.6901 0.2925 0.3273 0.6961 0.7929 0.9053 0.9261 1.5908 1.6531 2.9663 3.0118 3.1623 3.1630 3.8536 3.8857 4.1810 4.1898 4.6722 4.6876 4.7607 4.7703 5.0684 5.0873 7.4608 7.4775 k = 0.1705 0.0984 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1697 -9.1680 -7.6819 -7.6819 0.2425 0.2716 0.7028 0.7923 0.9067 0.9260 1.6045 1.6683 2.9416 2.9897 3.1570 3.1581 3.8204 3.8553 4.1660 4.1757 4.6473 4.6741 4.7358 4.7368 5.0390 5.0590 7.5231 7.5388 k = 0.1818 0.1050 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1585 -9.1567 -7.6733 -7.6733 0.1908 0.2152 0.7093 0.7926 0.9084 0.9261 1.6174 1.6826 2.9149 2.9657 3.1518 3.1534 3.7888 3.8264 4.1510 4.1615 4.6107 4.6437 4.7191 4.7253 5.0090 5.0301 7.5783 7.5928 k = 0.1932 0.1115 0.3165 ( 12028 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1468 -9.1450 -7.6644 -7.6643 0.1377 0.1583 0.7157 0.7934 0.9101 0.9263 1.6295 1.6961 2.8867 2.9398 3.1468 3.1490 3.7592 3.7993 4.1360 4.1473 4.5691 4.6035 4.7129 4.7197 4.9788 5.0008 7.6256 7.6388 k = 0.2045 0.1181 0.3165 ( 12042 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1347 -9.1329 -7.6552 -7.6551 0.0838 0.1012 0.7219 0.7946 0.9120 0.9266 1.6408 1.7086 2.8572 2.9124 3.1421 3.1447 3.7319 3.7743 4.1209 4.1330 4.5263 4.5611 4.7098 4.7161 4.9484 4.9714 7.6648 7.6765 k = 0.2159 0.1247 0.3165 ( 12014 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3612 -42.3612 -9.1223 -9.1204 -7.6457 -7.6456 0.0294 0.0442 0.7277 0.7958 0.9139 0.9268 1.6513 1.7202 2.8267 2.8837 3.1376 3.1407 3.7070 3.7514 4.1059 4.1187 4.4838 4.5189 4.7074 4.7132 4.9179 4.9419 7.6959 7.7059 k = 0.2273 0.1312 0.3165 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3612 -42.3612 -9.1097 -9.1077 -7.6360 -7.6360 -0.0252 -0.0126 0.7331 0.7970 0.9158 0.9271 1.6608 1.7308 2.7957 2.8542 3.1335 3.1370 3.6846 3.7307 4.0908 4.1045 4.4422 4.4777 4.7051 4.7103 4.8876 4.9125 7.7192 7.7277 k = 0.2386 0.1378 0.3165 ( 12028 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3612 -42.3611 -9.0968 -9.0948 -7.6262 -7.6262 -0.0796 -0.0689 0.7381 0.7980 0.9177 0.9273 1.6695 1.7404 2.7645 2.8244 3.1297 3.1335 3.6647 3.7122 4.0758 4.0903 4.4018 4.4377 4.7025 4.7071 4.8575 4.8833 7.7356 7.7426 k = 0.2500 0.1443 0.3165 ( 12022 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0838 -9.0818 -7.6163 -7.6163 -0.1336 -0.1244 0.7425 0.7988 0.9194 0.9274 1.6773 1.7488 2.7337 2.7945 3.1262 3.1303 3.6471 3.6959 4.0609 4.0761 4.3628 4.3990 4.6996 4.7036 4.8279 4.8546 7.7460 7.7515 k = 0.2614 0.1509 0.3165 ( 12030 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0706 -9.0687 -7.6064 -7.6063 -0.1869 -0.1790 0.7464 0.7992 0.9208 0.9273 1.6842 1.7562 2.7037 2.7651 3.1231 3.1275 3.6320 3.6817 4.0461 4.0621 4.3253 4.3618 4.6962 4.6995 4.7988 4.8265 7.7513 7.7554 k = 0.2727 0.1575 0.3165 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4661 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0575 -9.0556 -7.5964 -7.5964 -0.2392 -0.2326 0.7497 0.7992 0.9220 0.9271 1.6902 1.7623 2.6748 2.7365 3.1203 3.1249 3.6190 3.6695 4.0315 4.0482 4.2892 4.3260 4.6924 4.6948 4.7704 4.7991 7.7525 7.7555 k = 0.2841 0.1640 0.3165 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3434 -43.3434 -42.3611 -42.3611 -9.0445 -9.0425 -7.5865 -7.5865 -0.2904 -0.2848 0.7524 0.7988 0.9227 0.9266 1.6955 1.7674 2.6475 2.7091 3.1179 3.1226 3.6082 3.6592 4.0170 4.0345 4.2547 4.2916 4.6882 4.6893 4.7427 4.7728 7.7506 7.7524 k = 0.2955 0.1706 0.3165 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0315 -9.0296 -7.5767 -7.5767 -0.3403 -0.3355 0.7545 0.7980 0.9230 0.9259 1.7000 1.7713 2.6220 2.6831 3.1159 3.1206 3.5994 3.6508 4.0028 4.0210 4.2216 4.2586 4.6828 4.6836 4.7159 4.7479 7.7463 7.7471 k = 0.3068 0.1771 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0187 -9.0168 -7.5671 -7.5670 -0.3886 -0.3845 0.7561 0.7968 0.9228 0.9248 1.7039 1.7740 2.5986 2.6589 3.1142 3.1190 3.5925 3.6441 3.9889 4.0078 4.1899 4.2268 4.6747 4.6785 4.6903 4.7252 7.7403 7.7403 k = 0.3182 0.1837 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3435 -42.3611 -42.3611 -9.0062 -9.0044 -7.5577 -7.5576 -0.4352 -0.4317 0.7571 0.7952 0.9221 0.9235 1.7071 1.7756 2.5774 2.6364 3.1129 3.1176 3.5875 3.6392 3.9752 3.9949 4.1596 4.1963 4.6638 4.6646 4.6743 4.7058 7.7325 7.7333 k = 0.3295 0.1903 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -8.9940 -8.9922 -7.5485 -7.5484 -0.4798 -0.4769 0.7575 0.7931 0.9209 0.9218 1.7098 1.7763 2.5586 2.6158 3.1119 3.1165 3.5844 3.6359 3.9618 3.9823 4.1307 4.1670 4.6413 4.6493 4.6687 4.6908 7.7242 7.7256 k = 0.3409 0.1968 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -8.9822 -8.9805 -7.5396 -7.5396 -0.5224 -0.5199 0.7575 0.7907 0.9192 0.9198 1.7121 1.7760 2.5422 2.5972 3.1113 3.1157 3.5829 3.6343 3.9486 3.9701 4.1031 4.1387 4.6189 4.6318 4.6632 4.6798 7.7158 7.7177 k = 0.3523 0.2034 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3436 -43.3436 -42.3611 -42.3611 -8.9709 -8.9693 -7.5311 -7.5310 -0.5627 -0.5606 0.7570 0.7879 0.9171 0.9176 1.7140 1.7748 2.5281 2.5806 3.1109 3.1151 3.5832 3.6343 3.9358 3.9583 4.0768 4.1114 4.5978 4.6130 4.6578 4.6712 7.7076 7.7099 k = 0.3636 0.2099 0.3165 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9601 -8.9586 -7.5230 -7.5230 -0.6007 -0.5989 0.7562 0.7848 0.9147 0.9151 1.7157 1.7730 2.5162 2.5658 3.1108 3.1147 3.5852 3.6359 3.9231 3.9468 4.0518 4.0851 4.5781 4.5942 4.6524 4.6638 7.6998 7.7025 k = 0.3750 0.2165 0.3165 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9499 -8.9484 -7.5154 -7.5153 -0.6361 -0.6346 0.7550 0.7814 0.9120 0.9125 1.7172 1.7706 2.5065 2.5528 3.1109 3.1146 3.5889 3.6392 3.9105 3.9357 4.0282 4.0597 4.5598 4.5761 4.6471 4.6571 7.6927 7.6956 k = 0.3864 0.2231 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3611 -42.3611 -8.9404 -8.9390 -7.5082 -7.5082 -0.6689 -0.6676 0.7536 0.7778 0.9092 0.9098 1.7185 1.7678 2.4986 2.5414 3.1111 3.1146 3.5941 3.6439 3.8979 3.9249 4.0061 4.0353 4.5430 4.5589 4.6421 4.6509 7.6863 7.6893 k = 0.3977 0.2296 0.3165 ( 11984 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3610 -42.3610 -8.9315 -8.9302 -7.5016 -7.5016 -0.6989 -0.6979 0.7520 0.7739 0.9064 0.9071 1.7198 1.7646 2.4925 2.5315 3.1116 3.1147 3.6010 3.6502 3.8851 3.9143 3.9858 4.0121 4.5278 4.5429 4.6374 4.6452 7.6807 7.6838 k = 0.4091 0.2362 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3437 -43.3437 -42.3610 -42.3610 -8.9234 -8.9223 -7.4956 -7.4956 -0.7260 -0.7252 0.7504 0.7700 0.9036 0.9044 1.7212 1.7613 2.4880 2.5229 3.1121 3.1150 3.6093 3.6579 3.8717 3.9037 3.9674 3.9901 4.5141 4.5282 4.6331 4.6400 7.6759 7.6789 k = 0.4205 0.2427 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3438 -43.3438 -42.3610 -42.3610 -8.9162 -8.9151 -7.4902 -7.4902 -0.7502 -0.7495 0.7488 0.7661 0.9010 0.9019 1.7225 1.7578 2.4847 2.5155 3.1127 3.1152 3.6191 3.6669 3.8577 3.8928 3.9514 3.9699 4.5021 4.5149 4.6291 4.6352 7.6719 7.6749 k = 0.4318 0.2493 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9097 -8.9089 -7.4854 -7.4854 -0.7713 -0.7708 0.7474 0.7622 0.8987 0.8995 1.7240 1.7544 2.4826 2.5091 3.1134 3.1156 3.6302 3.6772 3.8430 3.8810 3.9378 3.9518 4.4918 4.5031 4.6257 4.6309 7.6688 7.6715 k = 0.4432 0.2559 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.9042 -8.9035 -7.4814 -7.4813 -0.7893 -0.7889 0.7461 0.7586 0.8966 0.8974 1.7256 1.7510 2.4815 2.5036 3.1141 3.1159 3.6425 3.6883 3.8277 3.8680 3.9267 3.9367 4.4832 4.4929 4.6228 4.6271 7.6663 7.6688 k = 0.4545 0.2624 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8997 -8.8991 -7.4780 -7.4780 -0.8041 -0.8038 0.7452 0.7552 0.8949 0.8956 1.7273 1.7476 2.4811 2.4989 3.1147 3.1161 3.6558 3.6998 3.8125 3.8536 3.9181 3.9247 4.4763 4.4842 4.6204 4.6239 7.6646 7.6666 k = 0.4659 0.2690 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8961 -8.8956 -7.4753 -7.4753 -0.8157 -0.8155 0.7446 0.7522 0.8936 0.8942 1.7292 1.7445 2.4815 2.4949 3.1152 3.1163 3.6699 3.7106 3.7986 3.8379 3.9118 3.9160 4.4712 4.4772 4.6187 4.6213 7.6634 7.6650 k = 0.4773 0.2756 0.3165 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8935 -8.8932 -7.4734 -7.4734 -0.8240 -0.8238 0.7446 0.7496 0.8927 0.8931 1.7313 1.7415 2.4825 2.4914 3.1157 3.1164 3.6844 3.7182 3.7887 3.8219 3.9075 3.9100 4.4678 4.4719 4.6175 4.6193 7.6627 7.6638 k = 0.4886 0.2821 0.3165 ( 12024 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8919 -8.8917 -7.4723 -7.4723 -0.8289 -0.8289 0.7450 0.7475 0.8922 0.8924 1.7335 1.7386 2.4840 2.4885 3.1161 3.1164 3.6986 3.7187 3.7867 3.8066 3.9052 3.9063 4.4662 4.4682 4.6170 4.6179 7.6624 7.6630 k = 0.5000 0.2887 0.3165 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8913 -8.8913 -7.4719 -7.4719 -0.8306 -0.8306 0.7460 0.7460 0.8920 0.8920 1.7360 1.7360 2.4860 2.4860 3.1163 3.1163 3.7110 3.7110 3.7938 3.7938 3.9048 3.9048 4.4663 4.4663 4.6171 4.6171 7.6625 7.6625 k = 0.5000 0.2887 0.3165 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8913 -8.8913 -7.4719 -7.4719 -0.8306 -0.8306 0.7460 0.7460 0.8920 0.8920 1.7360 1.7360 2.4860 2.4860 3.1163 3.1163 3.7110 3.7110 3.7938 3.7938 3.9048 3.9048 4.4663 4.4663 4.6171 4.6171 7.6625 7.6625 k = 0.4933 0.3002 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8912 -8.8910 -7.4718 -7.4718 -0.8306 -0.8286 0.7379 0.7528 0.8814 0.8988 1.7355 1.7384 2.4774 2.4926 3.1087 3.1233 3.7046 3.7145 3.7789 3.8073 3.8895 3.9216 4.4627 4.4675 4.6164 4.6187 7.6681 7.6702 k = 0.4867 0.3118 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8909 -8.8904 -7.4714 -7.4714 -0.8287 -0.8247 0.7281 0.7585 0.8668 0.9021 1.7368 1.7425 2.4669 2.4971 3.1005 3.1296 3.6939 3.7154 3.7653 3.8152 3.8794 3.9383 4.4568 4.4662 4.6166 4.6208 7.6868 7.6909 k = 0.4800 0.3233 0.3165 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8902 -8.8894 -7.4708 -7.4708 -0.8249 -0.8188 0.7159 0.7627 0.8489 0.9027 1.7398 1.7484 2.4546 2.4994 3.0920 3.1351 3.6781 3.7133 3.7551 3.8140 3.8789 3.9540 4.4492 4.4626 4.6175 4.6233 7.7183 7.7244 k = 0.4733 0.3349 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8892 -8.8882 -7.4699 -7.4699 -0.8192 -0.8109 0.7006 0.7636 0.8298 0.9015 1.7444 1.7557 2.4406 2.4993 3.0832 3.1396 3.6574 3.7065 3.7490 3.8067 3.8864 3.9684 4.4402 4.4571 4.6189 4.6257 7.7622 7.7702 k = 0.4667 0.3464 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3438 -42.3610 -42.3610 -8.8879 -8.8867 -7.4689 -7.4688 -0.8116 -0.8012 0.6816 0.7561 0.8149 0.8995 1.7505 1.7642 2.4251 2.4968 3.0741 3.1430 3.6333 3.6935 3.7465 3.7996 3.8969 3.9815 4.4303 4.4503 4.6204 4.6278 7.8179 7.8277 k = 0.4600 0.3580 0.3165 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8863 -8.8849 -7.4675 -7.4675 -0.8023 -0.7895 0.6583 0.7350 0.8100 0.8978 1.7576 1.7738 2.4080 2.4919 3.0649 3.1453 3.6072 3.6751 3.7463 3.7953 3.9081 3.9933 4.4201 4.4426 4.6216 4.6293 7.8846 7.8961 k = 0.4533 0.3695 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8845 -8.8828 -7.4660 -7.4660 -0.7911 -0.7759 0.6303 0.7034 0.8123 0.8969 1.7658 1.7841 2.3895 2.4845 3.0557 3.1463 3.5800 3.6528 3.7473 3.7940 3.9191 4.0039 4.4098 4.4345 4.6222 4.6302 7.9614 7.9744 k = 0.4467 0.3811 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3439 -43.3437 -42.3610 -42.3610 -8.8824 -8.8805 -7.4644 -7.4643 -0.7783 -0.7605 0.5977 0.6660 0.8178 0.8973 1.7746 1.7949 2.3697 2.4746 3.0465 3.1461 3.5526 3.6283 3.7490 3.7949 3.9296 4.0136 4.3998 4.4265 4.6222 4.6303 8.0471 8.0615 k = 0.4400 0.3926 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8801 -8.8780 -7.4625 -7.4625 -0.7638 -0.7432 0.5608 0.6249 0.8248 0.8990 1.7839 1.8060 2.3488 2.4622 3.0373 3.1446 3.5255 3.6029 3.7509 3.7972 3.9398 4.0225 4.3903 4.4189 4.6211 4.6295 8.1401 8.1557 k = 0.4333 0.4041 0.3165 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8777 -8.8753 -7.4605 -7.4605 -0.7478 -0.7241 0.5201 0.5811 0.8327 0.9022 1.7935 1.8173 2.3269 2.4476 3.0283 3.1419 3.4992 3.5776 3.7529 3.8002 3.9496 4.0308 4.3817 4.4120 4.6191 4.6278 8.2368 8.2535 k = 0.4267 0.4157 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8750 -8.8725 -7.4584 -7.4584 -0.7303 -0.7033 0.4760 0.5354 0.8410 0.9066 1.8033 1.8285 2.3043 2.4309 3.0195 3.1380 3.4740 3.5530 3.7549 3.8037 3.9593 4.0388 4.3740 4.4060 4.6159 4.6252 8.3245 8.3400 k = 0.4200 0.4272 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8723 -8.8696 -7.4563 -7.4563 -0.7115 -0.6809 0.4293 0.4885 0.8496 0.9120 1.8131 1.8394 2.2812 2.4123 3.0111 3.1331 3.4502 3.5294 3.7567 3.8073 3.9690 4.0465 4.3674 4.4009 4.6117 4.6217 8.3734 8.3848 k = 0.4133 0.4388 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8695 -8.8666 -7.4540 -7.4540 -0.6915 -0.6568 0.3805 0.4408 0.8584 0.9182 1.8227 1.8499 2.2579 2.3922 3.0029 3.1273 3.4281 3.5073 3.7583 3.8107 3.9788 4.0542 4.3618 4.3970 4.6065 4.6173 8.3989 8.4083 k = 0.4067 0.4503 0.3165 ( 11966 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3440 -43.3437 -42.3610 -42.3610 -8.8666 -8.8636 -7.4518 -7.4518 -0.6705 -0.6312 0.3302 0.3930 0.8671 0.9250 1.8321 1.8598 2.2348 2.3711 2.9952 3.1209 3.4076 3.4868 3.7597 3.8137 3.9889 4.0619 4.3574 4.3942 4.6002 4.6119 8.4187 8.4270 k = 0.4000 0.4619 0.3165 ( 11946 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8638 -8.8606 -7.4496 -7.4495 -0.6488 -0.6043 0.2791 0.3454 0.8757 0.9322 1.8412 1.8689 2.2122 2.3493 2.9880 3.1142 3.3890 3.4680 3.7607 3.8163 3.9993 4.0696 4.3542 4.3926 4.5931 4.6057 8.4362 8.4436 k = 0.3933 0.4734 0.3165 ( 11964 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8610 -8.8577 -7.4474 -7.4473 -0.6265 -0.5760 0.2277 0.2988 0.8840 0.9395 1.8497 1.8772 2.1907 2.3274 2.9812 3.1073 3.3721 3.4511 3.7614 3.8184 4.0098 4.0773 4.3520 4.3920 4.5853 4.5986 8.4520 8.4586 k = 0.3867 0.4850 0.3165 ( 11984 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8583 -8.8548 -7.4452 -7.4452 -0.6041 -0.5467 0.1765 0.2536 0.8918 0.9468 1.8577 1.8843 2.1705 2.3060 2.9751 3.1005 3.3571 3.4359 3.7619 3.8199 4.0204 4.0849 4.3508 4.3925 4.5768 4.5909 8.4661 8.4720 k = 0.3800 0.4965 0.3165 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8557 -8.8522 -7.4432 -7.4432 -0.5819 -0.5165 0.1262 0.2106 0.8991 0.9538 1.8648 1.8903 2.1522 2.2855 2.9696 3.0940 3.3439 3.4227 3.7621 3.8210 4.0310 4.0924 4.3504 4.3939 4.5680 4.5826 8.4786 8.4837 k = 0.3733 0.5081 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8533 -8.8497 -7.4414 -7.4414 -0.5604 -0.4858 0.0773 0.1706 0.9057 0.9603 1.8710 1.8951 2.1361 2.2666 2.9648 3.0881 3.3325 3.4112 3.7621 3.8217 4.0412 4.0995 4.3507 4.3961 4.5591 4.5740 8.4892 8.4936 k = 0.3667 0.5196 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8512 -8.8475 -7.4397 -7.4397 -0.5404 -0.4550 0.0307 0.1343 0.9114 0.9661 1.8761 1.8988 2.1226 2.2497 2.9606 3.0829 3.3229 3.4015 3.7620 3.8221 4.0508 4.1061 4.3516 4.3989 4.5504 4.5653 8.4980 8.5016 k = 0.3600 0.5312 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8493 -8.8455 -7.4383 -7.4383 -0.5224 -0.4249 -0.0128 0.1028 0.9162 0.9710 1.8798 1.9017 2.1116 2.2354 2.9572 3.0786 3.3150 3.3937 3.7617 3.8222 4.0595 4.1119 4.3528 4.4021 4.5423 4.5569 8.5049 8.5078 k = 0.3533 0.5427 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8478 -8.8440 -7.4371 -7.4371 -0.5074 -0.3967 -0.0516 0.0770 0.9200 0.9749 1.8821 1.9038 2.1033 2.2240 2.9545 3.0751 3.3089 3.3876 3.7614 3.8221 4.0669 4.1168 4.3541 4.4051 4.5353 4.5494 8.5099 8.5121 k = 0.3467 0.5543 0.3165 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8467 -8.8428 -7.4362 -7.4362 -0.4962 -0.3725 -0.0836 0.0579 0.9227 0.9778 1.8832 1.9055 2.0976 2.2159 2.9526 3.0727 3.3045 3.3832 3.7611 3.8219 4.0726 4.1205 4.3552 4.4078 4.5298 4.5433 8.5131 8.5147 k = 0.3400 0.5658 0.3165 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8459 -8.8421 -7.4357 -7.4357 -0.4893 -0.3555 -0.1053 0.0462 0.9243 0.9795 1.8835 1.9065 2.0942 2.2110 2.9515 3.0712 3.3019 3.3806 3.7609 3.8217 4.0764 4.1229 4.3559 4.4096 4.5264 4.5392 8.5150 8.5159 k = 0.3333 0.5774 0.3165 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8418 -7.4355 -7.4355 -0.4870 -0.3493 -0.1131 0.0423 0.9248 0.9800 1.8835 1.9069 2.0931 2.2095 2.9511 3.0707 3.3010 3.3798 3.7608 3.8217 4.0777 4.1237 4.3561 4.4102 4.5252 4.5377 8.5156 8.5162 k = 0.3333 0.5774 0.3165 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8418 -7.4355 -7.4355 -0.4870 -0.3493 -0.1131 0.0423 0.9248 0.9800 1.8835 1.9069 2.0931 2.2095 2.9511 3.0707 3.3010 3.3798 3.7608 3.8217 4.0777 4.1237 4.3561 4.4102 4.5252 4.5377 8.5156 8.5162 k = 0.3267 0.5658 0.3165 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8459 -8.8421 -7.4357 -7.4357 -0.4891 -0.3551 -0.1056 0.0460 0.9243 0.9795 1.8836 1.9065 2.0942 2.2110 2.9515 3.0712 3.3019 3.3806 3.7609 3.8218 4.0763 4.1228 4.3559 4.4096 4.5264 4.5392 8.5151 8.5160 k = 0.3200 0.5543 0.3165 ( 12016 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8468 -8.8429 -7.4363 -7.4363 -0.4949 -0.3701 -0.0857 0.0568 0.9229 0.9780 1.8839 1.9055 2.0974 2.2154 2.9526 3.0726 3.3045 3.3832 3.7613 3.8222 4.0720 4.1201 4.3555 4.4081 4.5299 4.5437 8.5143 8.5159 k = 0.3133 0.5427 0.3165 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8482 -8.8443 -7.4374 -7.4374 -0.5035 -0.3901 -0.0575 0.0737 0.9206 0.9756 1.8845 1.9039 2.1028 2.2223 2.9543 3.0748 3.3088 3.3874 3.7621 3.8230 4.0649 4.1155 4.3550 4.4062 4.5357 4.5507 8.5136 8.5159 k = 0.3067 0.5312 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8502 -8.8464 -7.4389 -7.4389 -0.5136 -0.4116 -0.0244 0.0955 0.9176 0.9726 1.8851 1.9021 2.1104 2.2317 2.9567 3.0778 3.3148 3.3933 3.7633 3.8242 4.0550 4.1090 4.3549 4.4043 4.5433 4.5597 8.5137 8.5167 k = 0.3000 0.5196 0.3165 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8528 -8.8491 -7.4409 -7.4409 -0.5243 -0.4327 0.0117 0.1213 0.9140 0.9691 1.8851 1.9005 2.1200 2.2433 2.9596 3.0814 3.3225 3.4008 3.7650 3.8262 4.0429 4.1006 4.3553 4.4030 4.5526 4.5703 8.5149 8.5187 k = 0.2933 0.5081 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8561 -8.8525 -7.4435 -7.4434 -0.5346 -0.4522 0.0495 0.1501 0.9101 0.9652 1.8838 1.8997 2.1317 2.2569 2.9630 3.0856 3.3317 3.4099 3.7675 3.8288 4.0288 4.0906 4.3565 4.4026 4.5632 4.5820 8.5177 8.5223 k = 0.2867 0.4965 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8601 -8.8565 -7.4465 -7.4465 -0.5439 -0.4695 0.0883 0.1811 0.9059 0.9613 1.8810 1.8998 2.1454 2.2724 2.9668 3.0902 3.3423 3.4203 3.7706 3.8324 4.0134 4.0793 4.3585 4.4032 4.5747 4.5945 8.5224 8.5277 k = 0.2800 0.4850 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8648 -8.8613 -7.4501 -7.4501 -0.5515 -0.4840 0.1275 0.2137 0.9017 0.9574 1.8770 1.9003 2.1611 2.2897 2.9708 3.0951 3.3543 3.4320 3.7747 3.8370 3.9973 4.0671 4.3614 4.4049 4.5869 4.6074 8.5293 8.5355 k = 0.2733 0.4734 0.3165 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3441 -43.3437 -42.3610 -42.3610 -8.8702 -8.8668 -7.4542 -7.4542 -0.5570 -0.4954 0.1669 0.2474 0.8974 0.9536 1.8721 1.9007 2.1787 2.3085 2.9751 3.1001 3.3675 3.4449 3.7799 3.8429 3.9810 4.0546 4.3651 4.4076 4.5995 4.6206 8.5388 8.5457 k = 0.2667 0.4619 0.3165 ( 11972 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8763 -8.8730 -7.4588 -7.4588 -0.5600 -0.5036 0.2060 0.2817 0.8934 0.9501 1.8666 1.9006 2.1980 2.3289 2.9795 3.1051 3.3815 3.4586 3.7862 3.8500 3.9654 4.0423 4.3697 4.4114 4.6124 4.6339 8.5509 8.5586 k = 0.2600 0.4503 0.3165 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8832 -8.8799 -7.4640 -7.4640 -0.5603 -0.5084 0.2448 0.3162 0.8895 0.9470 1.8605 1.9000 2.2191 2.3506 2.9840 3.1099 3.3963 3.4731 3.7938 3.8584 3.9510 4.0306 4.3752 4.4162 4.6253 4.6472 8.5658 8.5744 k = 0.2533 0.4388 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3437 -42.3610 -42.3610 -8.8907 -8.8875 -7.4697 -7.4697 -0.5577 -0.5098 0.2829 0.3506 0.8860 0.9442 1.8540 1.8986 2.2417 2.3735 2.9884 3.1143 3.4116 3.4881 3.8030 3.8678 3.9392 4.0203 4.3816 4.4220 4.6381 4.6602 8.5836 8.5931 k = 0.2467 0.4272 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4661 -43.3440 -43.3436 -42.3610 -42.3610 -8.8989 -8.8957 -7.4759 -7.4759 -0.5520 -0.5077 0.3203 0.3847 0.8828 0.9418 1.8471 1.8965 2.2657 2.3975 2.9926 3.1183 3.4270 3.5033 3.8136 3.8771 3.9315 4.0118 4.3888 4.4288 4.6506 4.6730 8.6043 8.6148 k = 0.2400 0.4157 0.3165 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4663 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9077 -8.9047 -7.4826 -7.4826 -0.5432 -0.5020 0.3567 0.4182 0.8800 0.9397 1.8399 1.8937 2.2910 2.4225 2.9968 3.1218 3.4423 3.5183 3.8259 3.8836 3.9313 4.0058 4.3969 4.4366 4.6629 4.6854 8.6278 8.6394 k = 0.2333 0.4041 0.3165 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4663 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9172 -8.9142 -7.4898 -7.4898 -0.5312 -0.4929 0.3920 0.4509 0.8775 0.9379 1.8324 1.8901 2.3174 2.4483 3.0008 3.1246 3.4572 3.5330 3.8397 3.8856 3.9409 4.0030 4.4059 4.4454 4.6748 4.6974 8.6542 8.6670 k = 0.2267 0.3926 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3439 -43.3436 -42.3610 -42.3610 -8.9273 -8.9244 -7.4974 -7.4974 -0.5160 -0.4802 0.4262 0.4826 0.8753 0.9364 1.8247 1.8858 2.3449 2.4748 3.0047 3.1267 3.4717 3.5471 3.8548 3.8853 3.9581 4.0041 4.4159 4.4552 4.6863 4.7090 8.6830 8.6974 k = 0.2200 0.3811 0.3165 ( 11978 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6785 -43.4662 -43.4661 -43.3438 -43.3436 -42.3610 -42.3610 -8.9379 -8.9351 -7.5055 -7.5055 -0.4976 -0.4641 0.4590 0.5132 0.8735 0.9349 1.8166 1.8808 2.3733 2.5020 3.0085 3.1281 3.4856 3.5604 3.8705 3.8856 3.9799 4.0103 4.4269 4.4660 4.6974 4.7202 8.7137 8.7305 k = 0.2133 0.3695 0.3165 ( 11974 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3438 -43.3436 -42.3611 -42.3611 -8.9491 -8.9464 -7.5140 -7.5139 -0.4760 -0.4446 0.4904 0.5425 0.8719 0.9336 1.8083 1.8751 2.4026 2.5297 3.0122 3.1290 3.4988 3.5731 3.8862 3.8879 4.0040 4.0234 4.4390 4.4779 4.7080 4.7310 8.7450 8.7657 k = 0.2067 0.3580 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3438 -43.3435 -42.3611 -42.3611 -8.9608 -8.9581 -7.5228 -7.5228 -0.4513 -0.4218 0.5203 0.5704 0.8705 0.9321 1.7998 1.8687 2.4327 2.5579 3.0160 3.1293 3.5114 3.5849 3.8924 3.9015 4.0279 4.0458 4.4523 4.4910 4.7182 4.7413 8.7707 8.8015 k = 0.2000 0.3464 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6784 -43.4662 -43.4661 -43.3437 -43.3435 -42.3611 -42.3611 -8.9729 -8.9703 -7.5320 -7.5319 -0.4236 -0.3958 0.5486 0.5967 0.8694 0.9306 1.7910 1.8617 2.4635 2.5865 3.0201 3.1292 3.5237 3.5963 3.8994 3.9161 4.0529 4.0757 4.4667 4.5051 4.7280 4.7514 8.7646 8.8150 k = 0.1933 0.3349 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4661 -43.3437 -43.3435 -42.3611 -42.3611 -8.9853 -8.9828 -7.5414 -7.5414 -0.3930 -0.3666 0.5752 0.6212 0.8685 0.9289 1.7819 1.8541 2.4950 2.6154 3.0243 3.1289 3.5357 3.6072 3.9087 3.9301 4.0814 4.1098 4.4824 4.5204 4.7375 4.7612 8.7177 8.7644 k = 0.1867 0.3233 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3437 -43.3435 -42.3611 -42.3611 -8.9981 -8.9957 -7.5512 -7.5511 -0.3595 -0.3346 0.6000 0.6439 0.8679 0.9270 1.7726 1.8457 2.5271 2.6446 3.0290 3.1285 3.5477 3.6180 3.9200 3.9440 4.1139 4.1465 4.4992 4.5367 4.7469 4.7709 8.6576 8.7012 k = 0.1800 0.3118 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3436 -43.3434 -42.3611 -42.3611 -9.0112 -9.0088 -7.5611 -7.5610 -0.3234 -0.2996 0.6228 0.6647 0.8676 0.9248 1.7629 1.8367 2.5598 2.6740 3.0342 3.1283 3.5600 3.6289 3.9332 3.9582 4.1498 4.1852 4.5173 4.5539 4.7563 4.7808 8.5922 8.6337 k = 0.1733 0.3002 0.3165 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3436 -43.3434 -42.3611 -42.3611 -9.0245 -9.0221 -7.5712 -7.5711 -0.2847 -0.2621 0.6435 0.6835 0.8677 0.9224 1.7528 1.8271 2.5929 2.7036 3.0400 3.1282 3.5729 3.6402 3.9480 3.9729 4.1883 4.2254 4.5363 4.5718 4.7659 4.7911 8.5233 8.5630 k = 0.1667 0.2887 0.3165 ( 11990 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6784 -43.4662 -43.4660 -43.3435 -43.3434 -42.3611 -42.3611 -9.0379 -9.0356 -7.5814 -7.5813 -0.2437 -0.2219 0.6619 0.7002 0.8684 0.9198 1.7423 1.8167 2.6264 2.7332 3.0464 3.1285 3.5866 3.6522 3.9641 3.9883 4.2290 4.2668 4.5561 4.5902 4.7762 4.8021 8.4515 8.4895 k = 0.1600 0.2771 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4662 -43.4660 -43.3435 -43.3434 -42.3611 -42.3611 -9.0515 -9.0492 -7.5917 -7.5916 -0.2006 -0.1795 0.6777 0.7149 0.8697 0.9172 1.7315 1.8057 2.6602 2.7627 3.0535 3.1293 3.6013 3.6650 3.9813 4.0043 4.2713 4.3090 4.5764 4.6085 4.7877 4.8142 8.3772 8.4135 k = 0.1533 0.2656 0.3165 ( 11984 PWs) bands (ev): -75.0453 -75.0453 -44.6785 -44.6783 -43.4661 -43.4660 -43.3435 -43.3433 -42.3611 -42.3611 -9.0650 -9.0628 -7.6020 -7.6019 -0.1555 -0.1349 0.6906 0.7279 0.8717 0.9145 1.7202 1.7941 2.6940 2.7920 3.0612 3.1306 3.6174 3.6790 3.9992 4.0209 4.3147 4.3518 4.5965 4.6261 4.8008 4.8281 8.3006 8.3353 k = 0.1467 0.2540 0.3165 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3433 -42.3611 -42.3611 -9.0785 -9.0764 -7.6123 -7.6122 -0.1087 -0.0884 0.7004 0.7393 0.8744 0.9121 1.7085 1.7817 2.7278 2.8209 3.0695 3.1325 3.6351 3.6944 4.0178 4.0380 4.3591 4.3951 4.6158 4.6425 4.8162 4.8443 8.2220 8.2551 k = 0.1400 0.2425 0.3165 ( 11996 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3434 -43.3433 -42.3611 -42.3611 -9.0919 -9.0898 -7.6225 -7.6224 -0.0605 -0.0401 0.7070 0.7494 0.8775 0.9101 1.6963 1.7688 2.7612 2.8493 3.0783 3.1348 3.6545 3.7113 4.0367 4.0555 4.4042 4.4388 4.6337 4.6568 4.8346 4.8632 8.1415 8.1730 k = 0.1333 0.2309 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3433 -42.3611 -42.3611 -9.1052 -9.1031 -7.6326 -7.6325 -0.0111 0.0097 0.7106 0.7581 0.8808 0.9087 1.6837 1.7552 2.7941 2.8769 3.0877 3.1378 3.6760 3.7300 4.0558 4.0732 4.4498 4.4827 4.6493 4.6689 4.8564 4.8850 8.0592 8.0893 k = 0.1267 0.2194 0.3165 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4660 -43.3433 -43.3432 -42.3612 -42.3612 -9.1182 -9.1162 -7.6425 -7.6425 0.0392 0.0608 0.7117 0.7655 0.8839 0.9081 1.6706 1.7410 2.8262 2.9036 3.0973 3.1412 3.6995 3.7506 4.0750 4.0910 4.4959 4.5269 4.6625 4.6785 4.8814 4.9099 7.9755 8.0041 k = 0.1200 0.2078 0.3165 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6783 -43.4661 -43.4659 -43.3433 -43.3432 -42.3612 -42.3612 -9.1310 -9.1290 -7.6523 -7.6522 0.0899 0.1129 0.7108 0.7716 0.8866 0.9086 1.6570 1.7262 2.8572 2.9292 3.1072 3.1451 3.7252 3.7732 4.0941 4.1088 4.5425 4.5714 4.6733 4.6857 4.9095 4.9374 7.8904 7.9176 k = 0.1133 0.1963 0.3165 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6784 -44.6782 -43.4661 -43.4659 -43.3432 -43.3432 -42.3612 -42.3612 -9.1434 -9.1415 -7.6618 -7.6617 0.1408 0.1658 0.7082 0.7765 0.8887 0.9100 1.6430 1.7109 2.8868 2.9534 3.1172 3.1493 3.7532 3.7978 4.1130 4.1264 4.5896 4.6157 4.6821 4.6911 4.9400 4.9670 7.8040 7.8301 k = 0.1067 0.1848 0.3165 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3431 -42.3612 -42.3612 -9.1554 -9.1536 -7.6710 -7.6709 0.1914 0.2193 0.7044 0.7804 0.8903 0.9122 1.6286 1.6950 2.9149 2.9762 3.1271 3.1539 3.7832 3.8243 4.1316 4.1438 4.6372 4.6575 4.6902 4.6964 4.9722 4.9981 7.7167 7.7416 k = 0.1000 0.1732 0.3165 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4661 -43.4659 -43.3432 -43.3431 -42.3612 -42.3612 -9.1670 -9.1653 -7.6798 -7.6798 0.2413 0.2729 0.6996 0.7838 0.8916 0.9147 1.6137 1.6787 2.9413 2.9974 3.1368 3.1587 3.8150 3.8527 4.1499 4.1610 4.6817 4.6849 4.6957 4.7203 5.0053 5.0299 7.6287 7.6525 k = 0.0933 0.1617 0.3165 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1780 -9.1764 -7.6883 -7.6883 0.2899 0.3264 0.6943 0.7871 0.8928 0.9172 1.5983 1.6617 2.9657 3.0169 3.1463 3.1637 3.8485 3.8826 4.1678 4.1778 4.6880 4.6955 4.7352 4.7638 5.0387 5.0618 7.5401 7.5630 k = 0.0867 0.1501 0.3165 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3431 -42.3612 -42.3612 -9.1885 -9.1870 -7.6964 -7.6963 0.3366 0.3794 0.6886 0.7908 0.8939 0.9197 1.5826 1.6443 2.9882 3.0348 3.1553 3.1689 3.8831 3.9136 4.1853 4.1943 4.6901 4.6955 4.7849 4.8114 5.0717 5.0933 7.4514 7.4734 k = 0.0800 0.1386 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3431 -43.3430 -42.3612 -42.3612 -9.1985 -9.1970 -7.7040 -7.7040 0.3809 0.4316 0.6827 0.7955 0.8949 0.9220 1.5665 1.6265 3.0087 3.0509 3.1638 3.1741 3.9182 3.9453 4.2026 4.2105 4.6906 4.6946 4.8354 4.8605 5.1038 5.1239 7.3629 7.3842 k = 0.0733 0.1270 0.3165 ( 12002 PWs) bands (ev): -75.0453 -75.0453 -44.6783 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2077 -9.2064 -7.7111 -7.7111 0.4218 0.4824 0.6770 0.8017 0.8959 0.9241 1.5501 1.6081 3.0273 3.0653 3.1717 3.1794 3.9533 3.9770 4.2195 4.2264 4.6901 4.6931 4.8865 4.9104 5.1347 5.1533 7.2752 7.2957 k = 0.0667 0.1155 0.3165 ( 12014 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2163 -9.2151 -7.7178 -7.7177 0.4588 0.5312 0.6719 0.8098 0.8970 0.9262 1.5335 1.5894 3.0439 3.0779 3.1791 3.1846 3.9876 4.0080 4.2364 4.2422 4.6888 4.6911 4.9379 4.9608 5.1639 5.1809 7.1888 7.2085 k = 0.0600 0.1039 0.3165 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2242 -9.2231 -7.7239 -7.7238 0.4912 0.5766 0.6683 0.8201 0.8984 0.9284 1.5169 1.5704 3.0586 3.0889 3.1858 3.1897 4.0203 4.0376 4.2531 4.2579 4.6869 4.6888 4.9893 5.0111 5.1913 5.2067 7.1044 7.1234 k = 0.0533 0.0924 0.3165 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3430 -43.3430 -42.3612 -42.3612 -9.2314 -9.2304 -7.7294 -7.7294 0.5186 0.6145 0.6700 0.8321 0.9005 0.9308 1.5004 1.5511 3.0716 3.0983 3.1920 3.1946 4.0507 4.0650 4.2698 4.2735 4.6846 4.6863 5.0401 5.0609 5.2165 5.2304 7.0230 7.0410 k = 0.0467 0.0808 0.3165 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2378 -9.2369 -7.7343 -7.7343 0.5410 0.6332 0.6881 0.8447 0.9041 0.9335 1.4843 1.5319 3.0829 3.1060 3.1975 3.1992 4.0782 4.0896 4.2864 4.2891 4.6820 4.6836 5.0897 5.1091 5.2396 5.2519 6.9455 6.9625 k = 0.0400 0.0693 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4660 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2433 -9.2425 -7.7386 -7.7386 0.5588 0.6351 0.7198 0.8555 0.9105 0.9368 1.4691 1.5128 3.0927 3.1123 3.2024 3.2035 4.1021 4.1110 4.3026 4.3044 4.6794 4.6809 5.1369 5.1548 5.2606 5.2712 6.8732 6.8889 k = 0.0333 0.0577 0.3165 ( 11982 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2481 -9.2474 -7.7423 -7.7423 0.5728 0.6322 0.7523 0.8627 0.9203 0.9408 1.4553 1.4943 3.1010 3.1172 3.2066 3.2072 4.1221 4.1289 4.3180 4.3191 4.6768 4.6783 5.1804 5.1962 5.2796 5.2884 6.8076 6.8217 k = 0.0267 0.0462 0.3165 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2519 -9.2514 -7.7453 -7.7453 0.5837 0.6283 0.7815 0.8658 0.9325 0.9456 1.4435 1.4768 3.1079 3.1208 3.2101 3.2104 4.1382 4.1431 4.3320 4.3326 4.6744 4.6758 5.2185 5.2314 5.2973 5.3039 6.7504 6.7625 k = 0.0200 0.0346 0.3165 ( 11980 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6781 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2550 -9.2546 -7.7477 -7.7477 0.5922 0.6239 0.8059 0.8657 0.9445 0.9509 1.4344 1.4609 3.1136 3.1231 3.2128 3.2130 4.1505 4.1539 4.3439 4.3441 4.6725 4.6736 5.2490 5.2582 5.3141 5.3180 6.7035 6.7131 k = 0.0133 0.0231 0.3165 ( 11968 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2571 -9.2569 -7.7494 -7.7494 0.5992 0.6195 0.8254 0.8631 0.9541 0.9563 1.4287 1.4473 3.1180 3.1243 3.2148 3.2149 4.1592 4.1613 4.3530 4.3530 4.6710 4.6718 5.2704 5.2757 5.3291 5.3306 6.6687 6.6754 k = 0.0067 0.0115 0.3165 ( 11960 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2584 -9.2583 -7.7504 -7.7504 0.6050 0.6149 0.8401 0.8583 0.9601 0.9604 1.4271 1.4367 3.1212 3.1244 3.2160 3.2160 4.1645 4.1655 4.3587 4.3587 4.6702 4.6706 5.2827 5.2849 5.3397 5.3399 6.6478 6.6512 k = 0.0000 0.0000 0.3165 ( 11956 PWs) bands (ev): -75.0453 -75.0453 -44.6782 -44.6782 -43.4659 -43.4659 -43.3429 -43.3429 -42.3612 -42.3612 -9.2588 -9.2588 -7.7508 -7.7508 0.6102 0.6102 0.8508 0.8508 0.9621 0.9621 1.4298 1.4298 3.1234 3.1234 3.2164 3.2164 4.1665 4.1665 4.3606 4.3606 4.6700 4.6700 5.2872 5.2872 5.3435 5.3435 6.6418 6.6418 k = 0.5000 0.2887 0.3165 ( 12020 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8913 -8.8913 -7.4719 -7.4719 -0.8306 -0.8306 0.7460 0.7460 0.8920 0.8920 1.7360 1.7360 2.4860 2.4860 3.1163 3.1163 3.7110 3.7110 3.7938 3.7938 3.9048 3.9048 4.4663 4.4663 4.6171 4.6171 7.6625 7.6625 k = 0.5000 0.2887 0.3033 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8913 -8.8913 -7.4719 -7.4719 -0.8303 -0.8295 0.7444 0.7491 0.8921 0.8927 1.7323 1.7394 2.4817 2.4863 3.1158 3.1166 3.7067 3.7152 3.7901 3.7972 3.9027 3.9054 4.4668 4.4684 4.6142 4.6151 7.6565 7.6567 k = 0.5000 0.2887 0.2901 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8914 -8.8914 -7.4720 -7.4719 -0.8287 -0.8270 0.7444 0.7537 0.8930 0.8941 1.7283 1.7426 2.4734 2.4826 3.1152 3.1167 3.7023 3.7192 3.7862 3.8002 3.8991 3.9045 4.4698 4.4728 4.6063 4.6081 7.6404 7.6405 k = 0.5000 0.2887 0.2769 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8915 -8.8915 -7.4721 -7.4720 -0.8257 -0.8233 0.7459 0.7597 0.8947 0.8963 1.7240 1.7456 2.4611 2.4751 3.1145 3.1167 3.6980 3.7226 3.7824 3.8026 3.8943 3.9022 4.4751 4.4794 4.5937 4.5963 7.6177 7.6179 k = 0.5000 0.2887 0.2638 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8917 -8.8917 -7.4722 -7.4721 -0.8215 -0.8182 0.7488 0.7669 0.8975 0.8993 1.7193 1.7485 2.4450 2.4640 3.1136 3.1165 3.6939 3.7253 3.7786 3.8042 3.8885 3.8987 4.4826 4.4878 4.5769 4.5799 7.5924 7.5932 k = 0.5000 0.2887 0.2506 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8919 -8.8919 -7.4723 -7.4722 -0.8160 -0.8120 0.7528 0.7749 0.9016 0.9031 1.7142 1.7513 2.4254 2.4494 3.1126 3.1162 3.6901 3.7272 3.7750 3.8050 3.8818 3.8940 4.4917 4.4969 4.5569 4.5597 7.5678 7.5693 k = 0.5000 0.2887 0.2374 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8922 -8.8921 -7.4725 -7.4723 -0.8093 -0.8046 0.7579 0.7834 0.9073 0.9080 1.7087 1.7541 2.4025 2.4317 3.1116 3.1157 3.6864 3.7279 3.7716 3.8048 3.8745 3.8885 4.5007 4.5025 4.5375 4.5381 7.5461 7.5483 k = 0.5000 0.2887 0.2242 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8925 -8.8924 -7.4726 -7.4724 -0.8016 -0.7963 0.7637 0.7920 0.9141 0.9150 1.7027 1.7569 2.3765 2.4113 3.1105 3.1152 3.6830 3.7275 3.7685 3.8035 3.8668 3.8823 4.4897 4.4965 4.5265 4.5357 7.5286 7.5315 k = 0.5000 0.2887 0.2110 ( 11992 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8929 -8.8927 -7.4728 -7.4726 -0.7929 -0.7870 0.7701 0.8000 0.9215 0.9249 1.6963 1.7597 2.3478 2.3884 3.1094 3.1146 3.6798 3.7260 3.7653 3.8011 3.8590 3.8757 4.4619 4.4701 4.5363 4.5467 7.5159 7.5194 k = 0.5000 0.2887 0.1978 ( 11986 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8932 -8.8931 -7.4730 -7.4727 -0.7834 -0.7770 0.7766 0.8073 0.9304 0.9373 1.6895 1.7627 2.3167 2.3636 3.1083 3.1139 3.6768 3.7235 3.7620 3.7974 3.8512 3.8686 4.4297 4.4381 4.5505 4.5609 7.5083 7.5124 k = 0.5000 0.2887 0.1846 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8936 -8.8935 -7.4732 -7.4729 -0.7732 -0.7664 0.7831 0.8135 0.9408 0.9523 1.6824 1.7659 2.2837 2.3372 3.1073 3.1131 3.6740 3.7201 3.7582 3.7926 3.8436 3.8613 4.3956 4.4043 4.5659 4.5762 7.5056 7.5102 k = 0.5000 0.2887 0.1714 ( 12024 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8940 -8.8939 -7.4734 -7.4731 -0.7624 -0.7553 0.7893 0.8186 0.9529 0.9697 1.6750 1.7692 2.2492 2.3096 3.1063 3.1123 3.6712 3.7161 3.7537 3.7867 3.8361 3.8537 4.3611 4.3699 4.5819 4.5918 7.5075 7.5124 k = 0.5000 0.2887 0.1583 ( 12032 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8944 -8.8943 -7.4736 -7.4733 -0.7513 -0.7440 0.7950 0.8227 0.9665 0.9890 1.6675 1.7727 2.2136 2.2812 3.1053 3.1115 3.6684 3.7115 3.7484 3.7799 3.8289 3.8458 4.3270 4.3359 4.5980 4.6075 7.5134 7.5186 k = 0.5000 0.2887 0.1451 ( 12044 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8948 -8.8947 -7.4738 -7.4735 -0.7399 -0.7326 0.8003 0.8258 0.9815 1.0098 1.6600 1.7764 2.1773 2.2525 3.1045 3.1107 3.6655 3.7065 3.7423 3.7722 3.8219 3.8376 4.2943 4.3031 4.6139 4.6229 7.5227 7.5279 k = 0.5000 0.2887 0.1319 ( 12032 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8952 -8.8951 -7.4740 -7.4737 -0.7286 -0.7214 0.8050 0.8282 0.9977 1.0316 1.6529 1.7802 2.1409 2.2236 3.1038 3.1098 3.6624 3.7008 3.7356 3.7638 3.8153 3.8292 4.2636 4.2724 4.6293 4.6378 7.5345 7.5398 k = 0.5000 0.2887 0.1187 ( 12028 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8956 -8.8954 -7.4742 -7.4739 -0.7175 -0.7104 0.8092 0.8300 1.0149 1.0536 1.6465 1.7838 2.1052 2.1950 3.1031 3.1090 3.6591 3.6945 3.7284 3.7549 3.8089 3.8208 4.2357 4.2442 4.6441 4.6519 7.5483 7.5535 k = 0.5000 0.2887 0.1055 ( 12028 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8959 -8.8958 -7.4744 -7.4741 -0.7067 -0.7000 0.8128 0.8313 1.0327 1.0753 1.6412 1.7868 2.0708 2.1669 3.1026 3.1081 3.6554 3.6872 3.7214 3.7456 3.8029 3.8128 4.2109 4.2191 4.6580 4.6650 7.5631 7.5681 k = 0.5000 0.2887 0.0923 ( 12028 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8962 -8.8961 -7.4745 -7.4743 -0.6966 -0.6903 0.8161 0.8321 1.0507 1.0957 1.6376 1.7886 2.0390 2.1396 3.1023 3.1073 3.6513 3.6789 3.7149 3.7363 3.7975 3.8054 4.1896 4.1972 4.6707 4.6770 7.5783 7.5829 k = 0.5000 0.2887 0.0791 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8965 -8.8964 -7.4747 -7.4745 -0.6873 -0.6816 0.8189 0.8326 1.0687 1.1142 1.6364 1.7880 2.0112 2.1133 3.1020 3.1065 3.6468 3.6697 3.7094 3.7273 3.7928 3.7988 4.1717 4.1787 4.6822 4.6877 7.5930 7.5972 k = 0.5000 0.2887 0.0659 ( 12004 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8968 -8.8967 -7.4748 -7.4746 -0.6789 -0.6740 0.8215 0.8328 1.0861 1.1299 1.6381 1.7838 1.9891 2.0882 3.1018 3.1058 3.6419 3.6601 3.7049 3.7192 3.7887 3.7931 4.1572 4.1634 4.6923 4.6969 7.6067 7.6104 k = 0.5000 0.2887 0.0528 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8970 -8.8969 -7.4749 -7.4747 -0.6717 -0.6676 0.8237 0.8327 1.1027 1.1421 1.6433 1.7746 1.9746 2.0644 3.1018 3.1050 3.6371 3.6507 3.7015 3.7123 3.7854 3.7885 4.1459 4.1511 4.7008 4.7045 7.6188 7.6218 k = 0.5000 0.2887 0.0396 ( 11998 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8972 -8.8971 -7.4749 -7.4748 -0.6657 -0.6626 0.8256 0.8324 1.1178 1.1504 1.6523 1.7602 1.9683 2.0422 3.1019 3.1044 3.6327 3.6423 3.6992 3.7067 3.7828 3.7850 4.1376 4.1416 4.7077 4.7104 7.6288 7.6312 k = 0.5000 0.2887 0.0264 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8973 -8.8973 -7.4750 -7.4749 -0.6613 -0.6591 0.8273 0.8318 1.1310 1.1543 1.6651 1.7417 1.9694 2.0219 3.1021 3.1038 3.6294 3.6355 3.6978 3.7025 3.7811 3.7824 4.1321 4.1348 4.7127 4.7146 7.6364 7.6380 k = 0.5000 0.2887 0.0132 ( 12008 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8974 -8.8973 -7.4750 -7.4750 -0.6583 -0.6572 0.8288 0.8310 1.1418 1.1540 1.6815 1.7212 1.9767 2.0038 3.1024 3.1032 3.6277 3.6306 3.6974 3.6996 3.7801 3.7808 4.1292 4.1306 4.7160 4.7169 7.6412 7.6420 k = 0.5000 0.2887-0.0000 ( 12010 PWs) bands (ev): -75.0453 -75.0453 -44.6786 -44.6786 -43.4662 -43.4662 -43.3438 -43.3438 -42.3610 -42.3610 -8.8974 -8.8974 -7.4750 -7.4750 -0.6569 -0.6569 0.8300 0.8300 1.1497 1.1497 1.7006 1.7006 1.9885 1.9885 3.1028 3.1028 3.6281 3.6281 3.6980 3.6980 3.7800 3.7800 4.1287 4.1287 4.7174 4.7174 7.6431 7.6431 k = 0.3333 0.5774-0.0000 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8472 -8.8432 -7.4484 -7.4483 -0.2094 -0.1321 -0.0389 0.0182 1.3820 1.3833 1.7905 1.7962 2.1344 2.1892 2.2542 2.3233 3.3130 3.3912 3.6585 3.6603 3.9537 4.0016 4.1565 4.2005 4.2599 4.3237 8.7326 8.7487 k = 0.3333 0.5774 0.0132 ( 11979 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8471 -8.8432 -7.4484 -7.4483 -0.2108 -0.1320 -0.0404 0.0183 1.3792 1.3794 1.7911 1.7977 2.1343 2.1932 2.2540 2.3273 3.3129 3.3912 3.6616 3.6635 3.9531 4.0010 4.1561 4.2002 4.2603 4.3241 8.7358 8.7520 k = 0.3333 0.5774 0.0264 ( 11979 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8471 -8.8432 -7.4482 -7.4481 -0.2148 -0.1318 -0.0450 0.0186 1.3682 1.3709 1.7930 1.8020 2.1337 2.2049 2.2535 2.3391 3.3128 3.3910 3.6709 3.6730 3.9514 3.9991 4.1550 4.1991 4.2616 4.3252 8.7457 8.7619 k = 0.3333 0.5774 0.0396 ( 11997 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8471 -8.8432 -7.4480 -7.4479 -0.2214 -0.1314 -0.0526 0.0190 1.3508 1.3577 1.7960 1.8083 2.1328 2.2239 2.2526 2.3582 3.3125 3.3908 3.6864 3.6887 3.9487 3.9960 4.1533 4.1974 4.2638 4.3270 8.7619 8.7783 k = 0.3333 0.5774 0.0528 ( 12003 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8471 -8.8432 -7.4476 -7.4475 -0.2304 -0.1309 -0.0629 0.0197 1.3283 1.3403 1.8000 1.8159 2.1315 2.2496 2.2513 2.3839 3.3122 3.3904 3.7077 3.7104 3.9449 3.9918 4.1510 4.1950 4.2667 4.3295 8.7846 8.8013 k = 0.3333 0.5774 0.0659 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8470 -8.8431 -7.4471 -7.4470 -0.2416 -0.1302 -0.0757 0.0205 1.3023 1.3195 1.8049 1.8241 2.1299 2.2497 2.2811 2.4152 3.3117 3.3900 3.7345 3.7379 3.9402 3.9865 4.1480 4.1920 4.2704 4.3327 8.8135 8.8305 k = 0.3333 0.5774 0.0791 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8469 -8.8430 -7.4466 -7.4465 -0.2548 -0.1294 -0.0907 0.0215 1.2739 1.2961 1.8104 1.8324 2.1280 2.2479 2.3175 2.4511 3.3112 3.3895 3.7664 3.7709 3.9349 3.9801 4.1446 4.1885 4.2747 4.3364 8.8485 8.8659 k = 0.3333 0.5774 0.0923 ( 12009 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8469 -8.8430 -7.4459 -7.4458 -0.2696 -0.1284 -0.1075 0.0226 1.2441 1.2710 1.8165 1.8405 2.1258 2.2457 2.3578 2.4908 3.3106 3.3890 3.8024 3.8090 3.9295 3.9728 4.1407 4.1845 4.2795 4.3406 8.8893 8.9072 k = 0.3333 0.5774 0.1055 ( 11988 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8468 -8.8429 -7.4452 -7.4451 -0.2857 -0.1274 -0.1258 0.0239 1.2137 1.2449 1.8229 1.8482 2.1235 2.2433 2.4011 2.5333 3.3099 3.3884 3.8403 3.8516 3.9258 3.9647 4.1366 4.1801 4.2848 4.3453 8.9358 8.9543 k = 0.3333 0.5774 0.1187 ( 12009 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8467 -8.8428 -7.4445 -7.4444 -0.3029 -0.1451 -0.1263 0.0253 1.1833 1.2183 1.8294 1.8555 2.1210 2.2407 2.4466 2.5779 3.3092 3.3877 3.8721 3.8983 3.9314 3.9558 4.1323 4.1754 4.2904 4.3503 8.9876 9.0068 k = 0.3333 0.5774 0.1319 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8466 -8.8427 -7.4437 -7.4436 -0.3207 -0.1651 -0.1251 0.0268 1.1536 1.1918 1.8358 1.8623 2.1183 2.2379 2.4936 2.6238 3.3085 3.3870 3.8818 3.9462 3.9482 3.9616 4.1280 4.1706 4.2963 4.3556 9.0443 9.0645 k = 0.3333 0.5774 0.1451 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8465 -8.8426 -7.4428 -7.4428 -0.3388 -0.1854 -0.1239 0.0284 1.1247 1.1659 1.8421 1.8686 2.1156 2.2351 2.5412 2.6704 3.3077 3.3863 3.8772 3.9360 4.0003 4.0083 4.1243 4.1655 4.3024 4.3611 9.1056 9.1269 k = 0.3333 0.5774 0.1583 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8464 -8.8425 -7.4420 -7.4419 -0.3569 -0.2057 -0.1226 0.0299 1.0971 1.1408 1.8481 1.8744 2.1129 2.2322 2.5888 2.7170 3.3069 3.3855 3.8683 3.9252 4.0522 4.0606 4.1228 4.1605 4.3085 4.3667 9.1704 9.1936 k = 0.3333 0.5774 0.1714 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8463 -8.8424 -7.4411 -7.4411 -0.3748 -0.2256 -0.1214 0.0315 1.0711 1.1169 1.8538 1.8797 2.1102 2.2292 2.6359 2.7630 3.3061 3.3848 3.8577 3.9141 4.0915 4.1152 4.1353 4.1555 4.3147 4.3723 9.1595 9.1928 k = 0.3333 0.5774 0.1846 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8462 -8.8423 -7.4403 -7.4403 -0.3920 -0.2448 -0.1202 0.0331 1.0468 1.0944 1.8590 1.8845 2.1076 2.2263 2.6819 2.8079 3.3053 3.3840 3.8463 3.9027 4.0992 4.1507 4.1706 4.1799 4.3207 4.3779 9.0680 9.0975 k = 0.3333 0.5774 0.1978 ( 12006 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8461 -8.8422 -7.4395 -7.4395 -0.4085 -0.2629 -0.1190 0.0346 1.0243 1.0736 1.8637 1.8888 2.1051 2.2235 2.7261 2.8511 3.3046 3.3833 3.8344 3.8912 4.0973 4.1461 4.2256 4.2336 4.3265 4.3834 8.9785 9.0025 k = 0.3333 0.5774 0.2110 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8461 -8.8422 -7.4387 -7.4387 -0.4238 -0.2799 -0.1179 0.0361 1.0040 1.0546 1.8680 1.8927 2.1027 2.2209 2.7680 2.8921 3.3039 3.3827 3.8225 3.8797 4.0941 4.1417 4.2789 4.2874 4.3321 4.3887 8.8927 8.9119 k = 0.3333 0.5774 0.2242 ( 11994 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8460 -8.8421 -7.4380 -7.4380 -0.4378 -0.2954 -0.1168 0.0374 0.9858 1.0375 1.8717 1.8960 2.1006 2.2184 2.8070 2.9302 3.3032 3.3820 3.8106 3.8685 4.0907 4.1377 4.3295 4.3372 4.3390 4.3938 8.8124 8.8272 k = 0.3333 0.5774 0.2374 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8459 -8.8420 -7.4374 -7.4374 -0.4504 -0.3092 -0.1159 0.0386 0.9698 1.0225 1.8749 1.8989 2.0987 2.2162 2.8426 2.9648 3.3026 3.3815 3.7993 3.8577 4.0875 4.1342 4.3419 4.3752 4.3870 4.3995 8.7390 8.7500 k = 0.3333 0.5774 0.2506 ( 12012 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8458 -8.8420 -7.4368 -7.4368 -0.4613 -0.3211 -0.1151 0.0397 0.9562 1.0097 1.8775 1.9014 2.0970 2.2142 2.8740 2.9955 3.3021 3.3810 3.7887 3.8478 4.0846 4.1311 4.3461 4.3990 4.4219 4.4301 8.6740 8.6819 k = 0.3333 0.5774 0.2638 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8458 -8.8419 -7.4363 -7.4363 -0.4704 -0.3311 -0.1144 0.0406 0.9450 0.9991 1.8797 1.9034 2.0956 2.2125 2.9008 3.0217 3.3017 3.3805 3.7794 3.8391 4.0822 4.1285 4.3496 4.4036 4.4568 4.4672 8.6188 8.6240 k = 0.3333 0.5774 0.2769 ( 12000 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8419 -7.4360 -7.4360 -0.4776 -0.3390 -0.1138 0.0413 0.9362 0.9908 1.8814 1.9049 2.0945 2.2112 2.9224 3.0427 3.3014 3.3802 3.7716 3.8318 4.0802 4.1264 4.3524 4.4065 4.4859 4.4973 8.5744 8.5776 k = 0.3333 0.5774 0.2901 ( 11991 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8418 -7.4357 -7.4357 -0.4828 -0.3447 -0.1134 0.0418 0.9299 0.9848 1.8825 1.9060 2.0937 2.2102 2.9382 3.0581 3.3012 3.3800 3.7657 3.8263 4.0788 4.1249 4.3545 4.4086 4.5075 4.5195 8.5420 8.5437 k = 0.3333 0.5774 0.3033 ( 12009 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8418 -7.4355 -7.4355 -0.4859 -0.3481 -0.1132 0.0422 0.9261 0.9812 1.8832 1.9066 2.0933 2.2097 2.9479 3.0675 3.3010 3.3798 3.7621 3.8228 4.0780 4.1240 4.3557 4.4098 4.5207 4.5332 8.5222 8.5231 k = 0.3333 0.5774 0.3165 ( 12018 PWs) bands (ev): -75.0453 -75.0453 -44.6787 -44.6785 -43.4663 -43.4662 -43.3441 -43.3437 -42.3610 -42.3610 -8.8457 -8.8418 -7.4355 -7.4355 -0.4870 -0.3493 -0.1131 0.0423 0.9248 0.9800 1.8835 1.9069 2.0931 2.2095 2.9511 3.0707 3.3010 3.3798 3.7608 3.8217 4.0777 4.1237 4.3561 4.4102 4.5252 4.5377 8.5156 8.5162 Writing output data file LiMnSe2.save init_run : 3.88s CPU 11.09s WALL ( 1 calls) electrons : 586.08s CPU 592.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 586.06s CPU 591.75s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.62s WALL ( 1 calls) newd : 0.55s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.25s WALL ( 319 calls) cegterg : 539.95s CPU 543.01s WALL ( 614 calls) Called by sum_band: Called by *egterg: h_psi : 360.96s CPU 366.88s WALL ( 10113 calls) s_psi : 12.53s CPU 12.88s WALL ( 10113 calls) g_psi : 1.26s CPU 1.32s WALL ( 9180 calls) cdiaghg : 87.05s CPU 85.19s WALL ( 9499 calls) cegterg:over : 48.03s CPU 45.88s WALL ( 9180 calls) cegterg:upda : 16.46s CPU 19.64s WALL ( 9180 calls) cegterg:last : 14.79s CPU 15.62s WALL ( 1887 calls) Called by h_psi: h_psi:vloc : 327.20s CPU 331.74s WALL ( 10113 calls) h_psi:vnl : 32.99s CPU 33.71s WALL ( 10113 calls) add_vuspsi : 9.21s CPU 11.72s WALL ( 10113 calls) General routines calbec : 23.75s CPU 21.89s WALL ( 10113 calls) fft : 0.40s CPU 1.40s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 298.78s CPU 303.86s WALL ( 840880 calls) interpolate : 0.08s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 1.92s WALL ( 638 calls) Parallel routines fft_scatter : 192.41s CPU 177.45s WALL ( 840903 calls) PWSCF : 10m57.00s CPU 13m49.62s WALL This run was terminated on: 22:48:59 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=