Program PWSCF v.5.1.1 starts on 8Oct2015 at 0:11:34 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: ./LiMnTe2.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 84 43 12 6862 2513 366 Max 85 44 13 6869 2529 372 Sum 4033 2065 583 329547 120951 17729 bravais-lattice index = 14 lattice parameter (alat) = 8.5359 a.u. unit-cell volume = 856.9884 (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)= 8.535892 celldm(2)= 1.000000 celldm(3)= 1.591100 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 1.591100 ) 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 0.628496 ) 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 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 PseudoPot. # 3 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Li 3.00 6.94100 Li( 1.00) Te 6.00 127.60000 Te( 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= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033445 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033445 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033445 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033445 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033445 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0033445 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0033445 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0033445 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0033445 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0033445 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0033445 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0033445 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0033445 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0033445 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0033445 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0033445 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0033445 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0033445 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0142840), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.0285680), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.0428520), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.0571360), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0714200), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0857040), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0999880), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.1142720), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.1285560), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.1428400), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.1571240), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.1714080), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.1856920), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.1999760), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.2142600), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.2285440), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.2428280), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.2571120), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.2713960), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.2856799), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.2999640), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.3142479), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.3142479), wk = 0.0033445 k( 140) = ( 0.0121951 0.0070409 0.3142479), wk = 0.0033445 k( 141) = ( 0.0243902 0.0140817 0.3142479), wk = 0.0033445 k( 142) = ( 0.0365854 0.0211226 0.3142479), wk = 0.0033445 k( 143) = ( 0.0487805 0.0281634 0.3142479), wk = 0.0033445 k( 144) = ( 0.0609756 0.0352043 0.3142479), wk = 0.0033445 k( 145) = ( 0.0731707 0.0422451 0.3142479), wk = 0.0033445 k( 146) = ( 0.0853658 0.0492860 0.3142479), wk = 0.0033445 k( 147) = ( 0.0975610 0.0563269 0.3142479), wk = 0.0033445 k( 148) = ( 0.1097561 0.0633677 0.3142479), wk = 0.0033445 k( 149) = ( 0.1219512 0.0704086 0.3142479), wk = 0.0033445 k( 150) = ( 0.1341463 0.0774494 0.3142479), wk = 0.0033445 k( 151) = ( 0.1463415 0.0844903 0.3142479), wk = 0.0033445 k( 152) = ( 0.1585366 0.0915311 0.3142479), wk = 0.0033445 k( 153) = ( 0.1707317 0.0985720 0.3142479), wk = 0.0033445 k( 154) = ( 0.1829268 0.1056129 0.3142479), wk = 0.0033445 k( 155) = ( 0.1951219 0.1126537 0.3142479), wk = 0.0033445 k( 156) = ( 0.2073171 0.1196946 0.3142479), wk = 0.0033445 k( 157) = ( 0.2195122 0.1267354 0.3142479), wk = 0.0033445 k( 158) = ( 0.2317073 0.1337763 0.3142479), wk = 0.0033445 k( 159) = ( 0.2439024 0.1408171 0.3142479), wk = 0.0033445 k( 160) = ( 0.2560976 0.1478580 0.3142479), wk = 0.0033445 k( 161) = ( 0.2682927 0.1548989 0.3142479), wk = 0.0033445 k( 162) = ( 0.2804878 0.1619397 0.3142479), wk = 0.0033445 k( 163) = ( 0.2926829 0.1689806 0.3142479), wk = 0.0033445 k( 164) = ( 0.3048781 0.1760214 0.3142479), wk = 0.0033445 k( 165) = ( 0.3170732 0.1830623 0.3142479), wk = 0.0033445 k( 166) = ( 0.3292683 0.1901031 0.3142479), wk = 0.0033445 k( 167) = ( 0.3414634 0.1971440 0.3142479), wk = 0.0033445 k( 168) = ( 0.3536585 0.2041849 0.3142479), wk = 0.0033445 k( 169) = ( 0.3658537 0.2112257 0.3142479), wk = 0.0033445 k( 170) = ( 0.3780488 0.2182666 0.3142479), wk = 0.0033445 k( 171) = ( 0.3902439 0.2253074 0.3142479), wk = 0.0033445 k( 172) = ( 0.4024390 0.2323483 0.3142479), wk = 0.0033445 k( 173) = ( 0.4146341 0.2393891 0.3142479), wk = 0.0033445 k( 174) = ( 0.4268293 0.2464300 0.3142479), wk = 0.0033445 k( 175) = ( 0.4390244 0.2534708 0.3142479), wk = 0.0033445 k( 176) = ( 0.4512195 0.2605117 0.3142479), wk = 0.0033445 k( 177) = ( 0.4634146 0.2675526 0.3142479), wk = 0.0033445 k( 178) = ( 0.4756098 0.2745934 0.3142479), wk = 0.0033445 k( 179) = ( 0.4878049 0.2816343 0.3142479), wk = 0.0033445 k( 180) = ( 0.5000000 0.2886751 0.3142479), wk = 0.0033445 k( 181) = ( 0.5000000 0.2886751 0.3142479), wk = 0.0033445 k( 182) = ( 0.4930556 0.3007033 0.3142479), wk = 0.0033445 k( 183) = ( 0.4861111 0.3127314 0.3142479), wk = 0.0033445 k( 184) = ( 0.4791667 0.3247595 0.3142479), wk = 0.0033445 k( 185) = ( 0.4722222 0.3367877 0.3142479), wk = 0.0033445 k( 186) = ( 0.4652778 0.3488158 0.3142479), wk = 0.0033445 k( 187) = ( 0.4583333 0.3608439 0.3142479), wk = 0.0033445 k( 188) = ( 0.4513889 0.3728720 0.3142479), wk = 0.0033445 k( 189) = ( 0.4444444 0.3849002 0.3142479), wk = 0.0033445 k( 190) = ( 0.4375000 0.3969283 0.3142479), wk = 0.0033445 k( 191) = ( 0.4305556 0.4089564 0.3142479), wk = 0.0033445 k( 192) = ( 0.4236111 0.4209846 0.3142479), wk = 0.0033445 k( 193) = ( 0.4166667 0.4330127 0.3142479), wk = 0.0033445 k( 194) = ( 0.4097222 0.4450408 0.3142479), wk = 0.0033445 k( 195) = ( 0.4027778 0.4570690 0.3142479), wk = 0.0033445 k( 196) = ( 0.3958333 0.4690971 0.3142479), wk = 0.0033445 k( 197) = ( 0.3888889 0.4811252 0.3142479), wk = 0.0033445 k( 198) = ( 0.3819444 0.4931534 0.3142479), wk = 0.0033445 k( 199) = ( 0.3750000 0.5051815 0.3142479), wk = 0.0033445 k( 200) = ( 0.3680556 0.5172096 0.3142479), wk = 0.0033445 k( 201) = ( 0.3611111 0.5292377 0.3142479), wk = 0.0033445 k( 202) = ( 0.3541667 0.5412659 0.3142479), wk = 0.0033445 k( 203) = ( 0.3472222 0.5532940 0.3142479), wk = 0.0033445 k( 204) = ( 0.3402778 0.5653221 0.3142479), wk = 0.0033445 k( 205) = ( 0.3333333 0.5773503 0.3142479), wk = 0.0033445 k( 206) = ( 0.3333333 0.5773503 0.3142479), wk = 0.0033445 k( 207) = ( 0.3262411 0.5650662 0.3142479), wk = 0.0033445 k( 208) = ( 0.3191489 0.5527822 0.3142479), wk = 0.0033445 k( 209) = ( 0.3120567 0.5404981 0.3142479), wk = 0.0033445 k( 210) = ( 0.3049645 0.5282141 0.3142479), wk = 0.0033445 k( 211) = ( 0.2978723 0.5159300 0.3142479), wk = 0.0033445 k( 212) = ( 0.2907801 0.5036460 0.3142479), wk = 0.0033445 k( 213) = ( 0.2836879 0.4913619 0.3142479), wk = 0.0033445 k( 214) = ( 0.2765957 0.4790779 0.3142479), wk = 0.0033445 k( 215) = ( 0.2695035 0.4667938 0.3142479), wk = 0.0033445 k( 216) = ( 0.2624113 0.4545098 0.3142479), wk = 0.0033445 k( 217) = ( 0.2553191 0.4422257 0.3142479), wk = 0.0033445 k( 218) = ( 0.2482270 0.4299417 0.3142479), wk = 0.0033445 k( 219) = ( 0.2411348 0.4176576 0.3142479), wk = 0.0033445 k( 220) = ( 0.2340425 0.4053736 0.3142479), wk = 0.0033445 k( 221) = ( 0.2269503 0.3930895 0.3142479), wk = 0.0033445 k( 222) = ( 0.2198582 0.3808055 0.3142479), wk = 0.0033445 k( 223) = ( 0.2127660 0.3685215 0.3142479), wk = 0.0033445 k( 224) = ( 0.2056738 0.3562374 0.3142479), wk = 0.0033445 k( 225) = ( 0.1985816 0.3439534 0.3142479), wk = 0.0033445 k( 226) = ( 0.1914894 0.3316693 0.3142479), wk = 0.0033445 k( 227) = ( 0.1843972 0.3193852 0.3142479), wk = 0.0033445 k( 228) = ( 0.1773050 0.3071012 0.3142479), wk = 0.0033445 k( 229) = ( 0.1702128 0.2948172 0.3142479), wk = 0.0033445 k( 230) = ( 0.1631206 0.2825331 0.3142479), wk = 0.0033445 k( 231) = ( 0.1560284 0.2702491 0.3142479), wk = 0.0033445 k( 232) = ( 0.1489362 0.2579650 0.3142479), wk = 0.0033445 k( 233) = ( 0.1418440 0.2456810 0.3142479), wk = 0.0033445 k( 234) = ( 0.1347518 0.2333969 0.3142479), wk = 0.0033445 k( 235) = ( 0.1276596 0.2211129 0.3142479), wk = 0.0033445 k( 236) = ( 0.1205674 0.2088288 0.3142479), wk = 0.0033445 k( 237) = ( 0.1134752 0.1965448 0.3142479), wk = 0.0033445 k( 238) = ( 0.1063830 0.1842607 0.3142479), wk = 0.0033445 k( 239) = ( 0.0992908 0.1719767 0.3142479), wk = 0.0033445 k( 240) = ( 0.0921986 0.1596926 0.3142479), wk = 0.0033445 k( 241) = ( 0.0851064 0.1474086 0.3142479), wk = 0.0033445 k( 242) = ( 0.0780142 0.1351245 0.3142479), wk = 0.0033445 k( 243) = ( 0.0709220 0.1228405 0.3142479), wk = 0.0033445 k( 244) = ( 0.0638298 0.1105564 0.3142479), wk = 0.0033445 k( 245) = ( 0.0567376 0.0982724 0.3142479), wk = 0.0033445 k( 246) = ( 0.0496454 0.0859883 0.3142479), wk = 0.0033445 k( 247) = ( 0.0425532 0.0737043 0.3142479), wk = 0.0033445 k( 248) = ( 0.0354610 0.0614202 0.3142479), wk = 0.0033445 k( 249) = ( 0.0283688 0.0491362 0.3142479), wk = 0.0033445 k( 250) = ( 0.0212766 0.0368522 0.3142479), wk = 0.0033445 k( 251) = ( 0.0141844 0.0245681 0.3142479), wk = 0.0033445 k( 252) = ( 0.0070922 0.0122841 0.3142479), wk = 0.0033445 k( 253) = ( 0.0000000 0.0000000 0.3142479), wk = 0.0033445 k( 254) = ( 0.5000000 0.2886751 0.3142479), wk = 0.0033445 k( 255) = ( 0.5000000 0.2886751 0.2999640), wk = 0.0033445 k( 256) = ( 0.5000000 0.2886751 0.2856799), wk = 0.0033445 k( 257) = ( 0.5000000 0.2886751 0.2713960), wk = 0.0033445 k( 258) = ( 0.5000000 0.2886751 0.2571120), wk = 0.0033445 k( 259) = ( 0.5000000 0.2886751 0.2428280), wk = 0.0033445 k( 260) = ( 0.5000000 0.2886751 0.2285440), wk = 0.0033445 k( 261) = ( 0.5000000 0.2886751 0.2142600), wk = 0.0033445 k( 262) = ( 0.5000000 0.2886751 0.1999760), wk = 0.0033445 k( 263) = ( 0.5000000 0.2886751 0.1856920), wk = 0.0033445 k( 264) = ( 0.5000000 0.2886751 0.1714080), wk = 0.0033445 k( 265) = ( 0.5000000 0.2886751 0.1571240), wk = 0.0033445 k( 266) = ( 0.5000000 0.2886751 0.1428400), wk = 0.0033445 k( 267) = ( 0.5000000 0.2886751 0.1285560), wk = 0.0033445 k( 268) = ( 0.5000000 0.2886751 0.1142720), wk = 0.0033445 k( 269) = ( 0.5000000 0.2886751 0.0999880), wk = 0.0033445 k( 270) = ( 0.5000000 0.2886751 0.0857040), wk = 0.0033445 k( 271) = ( 0.5000000 0.2886751 0.0714200), wk = 0.0033445 k( 272) = ( 0.5000000 0.2886751 0.0571360), wk = 0.0033445 k( 273) = ( 0.5000000 0.2886751 0.0428520), wk = 0.0033445 k( 274) = ( 0.5000000 0.2886751 0.0285680), wk = 0.0033445 k( 275) = ( 0.5000000 0.2886751 0.0142840), wk = 0.0033445 k( 276) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 277) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 278) = ( 0.3333333 0.5773503 0.0142840), wk = 0.0033445 k( 279) = ( 0.3333333 0.5773503 0.0285680), wk = 0.0033445 k( 280) = ( 0.3333333 0.5773503 0.0428520), wk = 0.0033445 k( 281) = ( 0.3333333 0.5773503 0.0571360), wk = 0.0033445 k( 282) = ( 0.3333333 0.5773503 0.0714200), wk = 0.0033445 k( 283) = ( 0.3333333 0.5773503 0.0857040), wk = 0.0033445 k( 284) = ( 0.3333333 0.5773503 0.0999880), wk = 0.0033445 k( 285) = ( 0.3333333 0.5773503 0.1142720), wk = 0.0033445 k( 286) = ( 0.3333333 0.5773503 0.1285560), wk = 0.0033445 k( 287) = ( 0.3333333 0.5773503 0.1428400), wk = 0.0033445 k( 288) = ( 0.3333333 0.5773503 0.1571240), wk = 0.0033445 k( 289) = ( 0.3333333 0.5773503 0.1714080), wk = 0.0033445 k( 290) = ( 0.3333333 0.5773503 0.1856920), wk = 0.0033445 k( 291) = ( 0.3333333 0.5773503 0.1999760), wk = 0.0033445 k( 292) = ( 0.3333333 0.5773503 0.2142600), wk = 0.0033445 k( 293) = ( 0.3333333 0.5773503 0.2285440), wk = 0.0033445 k( 294) = ( 0.3333333 0.5773503 0.2428280), wk = 0.0033445 k( 295) = ( 0.3333333 0.5773503 0.2571120), wk = 0.0033445 k( 296) = ( 0.3333333 0.5773503 0.2713960), wk = 0.0033445 k( 297) = ( 0.3333333 0.5773503 0.2856799), wk = 0.0033445 k( 298) = ( 0.3333333 0.5773503 0.2999640), wk = 0.0033445 k( 299) = ( 0.3333333 0.5773503 0.3142479), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0033445 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0033445 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0033445 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0033445 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0033445 k( 15) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0033445 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0033445 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0033445 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0033445 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0033445 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0033445 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0033445 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0033445 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0033445 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0033445 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0033445 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0033445 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0033445 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0033445 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033445 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033445 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033445 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033445 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033445 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033445 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033445 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033445 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033445 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033445 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033445 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033445 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033445 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033445 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 69) = ( 0.3262411 0.3262411 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0033445 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0033445 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0033445 k( 75) = ( 0.2836879 0.2836879 0.0000000), wk = 0.0033445 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2695035 0.2695035 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2482270 0.2482269 0.0000000), wk = 0.0033445 k( 81) = ( 0.2411348 0.2411347 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0033445 k( 84) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0033445 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0033445 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0033445 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0033445 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0033445 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0033445 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0033445 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0033445 k( 95) = ( 0.1418440 0.1418440 0.0000000), wk = 0.0033445 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0033445 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0033445 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0033445 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0033445 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0033445 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033445 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0033445 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0033445 k( 106) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0033445 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0033445 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0033445 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0033445 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0033445 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0033445 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 117) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033445 k( 118) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033445 k( 119) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033445 k( 120) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 140) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033445 k( 141) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033445 k( 142) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033445 k( 143) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033445 k( 144) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0033445 k( 145) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033445 k( 146) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0033445 k( 147) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033445 k( 148) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0033445 k( 149) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0033445 k( 150) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033445 k( 151) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033445 k( 152) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0033445 k( 153) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0033445 k( 154) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0033445 k( 155) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033445 k( 156) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033445 k( 157) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0033445 k( 158) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0033445 k( 159) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0033445 k( 160) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033445 k( 161) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033445 k( 162) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033445 k( 163) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033445 k( 164) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033445 k( 165) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033445 k( 166) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0033445 k( 167) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0033445 k( 168) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0033445 k( 169) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0033445 k( 170) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033445 k( 171) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033445 k( 172) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033445 k( 173) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033445 k( 174) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033445 k( 175) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0033445 k( 176) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0033445 k( 177) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0033445 k( 178) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0033445 k( 179) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0033445 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 182) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033445 k( 183) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033445 k( 184) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033445 k( 185) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033445 k( 186) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033445 k( 187) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033445 k( 188) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033445 k( 189) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033445 k( 190) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033445 k( 191) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033445 k( 192) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033445 k( 193) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033445 k( 194) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033445 k( 195) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033445 k( 196) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033445 k( 197) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033445 k( 198) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033445 k( 199) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033445 k( 200) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033445 k( 201) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033445 k( 202) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033445 k( 203) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033445 k( 204) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033445 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 207) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0033445 k( 208) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033445 k( 209) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0033445 k( 210) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0033445 k( 211) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033445 k( 212) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0033445 k( 213) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0033445 k( 214) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033445 k( 215) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0033445 k( 216) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0033445 k( 217) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0033445 k( 218) = ( 0.2482270 0.2482269 0.5000000), wk = 0.0033445 k( 219) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0033445 k( 220) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033445 k( 221) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0033445 k( 222) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0033445 k( 223) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033445 k( 224) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0033445 k( 225) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0033445 k( 226) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033445 k( 227) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0033445 k( 228) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0033445 k( 229) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033445 k( 230) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0033445 k( 231) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0033445 k( 232) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033445 k( 233) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0033445 k( 234) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0033445 k( 235) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033445 k( 236) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0033445 k( 237) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0033445 k( 238) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033445 k( 239) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0033445 k( 240) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0033445 k( 241) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033445 k( 242) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0033445 k( 243) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0033445 k( 244) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033445 k( 245) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0033445 k( 246) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0033445 k( 247) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033445 k( 248) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0033445 k( 249) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0033445 k( 250) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033445 k( 251) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0033445 k( 252) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0033445 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 255) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033445 k( 256) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0033445 k( 257) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033445 k( 258) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033445 k( 259) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033445 k( 260) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033445 k( 261) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033445 k( 262) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033445 k( 263) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033445 k( 264) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033445 k( 265) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033445 k( 266) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033445 k( 267) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033445 k( 268) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033445 k( 269) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033445 k( 270) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033445 k( 271) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033445 k( 272) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033445 k( 273) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033445 k( 274) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0033445 k( 275) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033445 k( 276) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 277) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 278) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033445 k( 279) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033445 k( 280) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033445 k( 281) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033445 k( 282) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033445 k( 283) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033445 k( 284) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033445 k( 285) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033445 k( 286) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0033445 k( 287) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033445 k( 288) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445 k( 289) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033445 k( 290) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033445 k( 291) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033445 k( 292) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033445 k( 293) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033445 k( 294) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033445 k( 295) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033445 k( 296) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033445 k( 297) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033445 k( 298) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033445 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 Dense grid: 329547 G-vectors FFT dimensions: ( 80, 80, 125) Smooth grid: 120951 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 628, 38) NL pseudopotentials 0.38 Mb ( 314, 80) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.05 Mb ( 6868) G-vector shells 0.02 Mb ( 3133) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 628, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.09 Mb ( 80, 2, 38) The potential is recalculated from file : ./LiMnTe2.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 39.1 secs Computing kpt #: 2 total cpu time spent up to now is 40.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.6 secs Computing kpt #: 4 total cpu time spent up to now is 44.3 secs Computing kpt #: 5 total cpu time spent up to now is 46.1 secs Computing kpt #: 6 total cpu time spent up to now is 47.9 secs Computing kpt #: 7 total cpu time spent up to now is 49.7 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 53.3 secs Computing kpt #: 10 total cpu time spent up to now is 55.2 secs Computing kpt #: 11 total cpu time spent up to now is 57.6 secs Computing kpt #: 12 total cpu time spent up to now is 59.6 secs Computing kpt #: 13 total cpu time spent up to now is 61.3 secs Computing kpt #: 14 total cpu time spent up to now is 63.0 secs Computing kpt #: 15 total cpu time spent up to now is 65.0 secs Computing kpt #: 16 total cpu time spent up to now is 67.1 secs Computing kpt #: 17 total cpu time spent up to now is 69.2 secs Computing kpt #: 18 total cpu time spent up to now is 71.3 secs Computing kpt #: 19 total cpu time spent up to now is 73.1 secs Computing kpt #: 20 total cpu time spent up to now is 75.0 secs Computing kpt #: 21 total cpu time spent up to now is 77.2 secs Computing kpt #: 22 total cpu time spent up to now is 79.4 secs Computing kpt #: 23 total cpu time spent up to now is 81.1 secs Computing kpt #: 24 total cpu time spent up to now is 83.1 secs Computing kpt #: 25 total cpu time spent up to now is 85.1 secs Computing kpt #: 26 total cpu time spent up to now is 86.9 secs Computing kpt #: 27 total cpu time spent up to now is 88.7 secs Computing kpt #: 28 total cpu time spent up to now is 90.6 secs Computing kpt #: 29 total cpu time spent up to now is 92.4 secs Computing kpt #: 30 total cpu time spent up to now is 94.2 secs Computing kpt #: 31 total cpu time spent up to now is 96.0 secs Computing kpt #: 32 total cpu time spent up to now is 98.9 secs Computing kpt #: 33 total cpu time spent up to now is 102.0 secs Computing kpt #: 34 total cpu time spent up to now is 104.3 secs Computing kpt #: 35 total cpu time spent up to now is 106.1 secs Computing kpt #: 36 total cpu time spent up to now is 108.0 secs Computing kpt #: 37 total cpu time spent up to now is 109.8 secs Computing kpt #: 38 total cpu time spent up to now is 111.6 secs Computing kpt #: 39 total cpu time spent up to now is 113.4 secs Computing kpt #: 40 total cpu time spent up to now is 115.2 secs Computing kpt #: 41 total cpu time spent up to now is 116.9 secs Computing kpt #: 42 total cpu time spent up to now is 118.7 secs Computing kpt #: 43 total cpu time spent up to now is 120.6 secs Computing kpt #: 44 total cpu time spent up to now is 122.5 secs Computing kpt #: 45 total cpu time spent up to now is 124.3 secs Computing kpt #: 46 total cpu time spent up to now is 126.1 secs Computing kpt #: 47 total cpu time spent up to now is 127.9 secs Computing kpt #: 48 total cpu time spent up to now is 129.7 secs Computing kpt #: 49 total cpu time spent up to now is 131.5 secs Computing kpt #: 50 total cpu time spent up to now is 133.6 secs Computing kpt #: 51 total cpu time spent up to now is 135.6 secs Computing kpt #: 52 total cpu time spent up to now is 137.7 secs Computing kpt #: 53 total cpu time spent up to now is 139.7 secs Computing kpt #: 54 total cpu time spent up to now is 141.9 secs Computing kpt #: 55 total cpu time spent up to now is 144.1 secs Computing kpt #: 56 total cpu time spent up to now is 146.3 secs Computing kpt #: 57 total cpu time spent up to now is 148.4 secs Computing kpt #: 58 total cpu time spent up to now is 150.6 secs Computing kpt #: 59 total cpu time spent up to now is 152.7 secs Computing kpt #: 60 total cpu time spent up to now is 154.7 secs Computing kpt #: 61 total cpu time spent up to now is 156.8 secs Computing kpt #: 62 total cpu time spent up to now is 158.8 secs Computing kpt #: 63 total cpu time spent up to now is 160.7 secs Computing kpt #: 64 total cpu time spent up to now is 162.8 secs Computing kpt #: 65 total cpu time spent up to now is 164.8 secs Computing kpt #: 66 total cpu time spent up to now is 167.0 secs Computing kpt #: 67 total cpu time spent up to now is 169.0 secs Computing kpt #: 68 total cpu time spent up to now is 170.8 secs Computing kpt #: 69 total cpu time spent up to now is 172.8 secs Computing kpt #: 70 total cpu time spent up to now is 174.8 secs Computing kpt #: 71 total cpu time spent up to now is 176.7 secs Computing kpt #: 72 total cpu time spent up to now is 178.7 secs Computing kpt #: 73 total cpu time spent up to now is 180.7 secs Computing kpt #: 74 total cpu time spent up to now is 182.7 secs Computing kpt #: 75 total cpu time spent up to now is 184.8 secs Computing kpt #: 76 total cpu time spent up to now is 187.2 secs Computing kpt #: 77 total cpu time spent up to now is 189.4 secs Computing kpt #: 78 total cpu time spent up to now is 191.7 secs Computing kpt #: 79 total cpu time spent up to now is 194.0 secs Computing kpt #: 80 total cpu time spent up to now is 196.1 secs Computing kpt #: 81 total cpu time spent up to now is 198.4 secs Computing kpt #: 82 total cpu time spent up to now is 200.5 secs Computing kpt #: 83 total cpu time spent up to now is 203.2 secs Computing kpt #: 84 total cpu time spent up to now is 205.5 secs Computing kpt #: 85 total cpu time spent up to now is 207.6 secs Computing kpt #: 86 total cpu time spent up to now is 210.0 secs Computing kpt #: 87 total cpu time spent up to now is 212.2 secs Computing kpt #: 88 total cpu time spent up to now is 214.5 secs Computing kpt #: 89 total cpu time spent up to now is 216.7 secs Computing kpt #: 90 total cpu time spent up to now is 218.7 secs Computing kpt #: 91 total cpu time spent up to now is 220.8 secs Computing kpt #: 92 total cpu time spent up to now is 223.0 secs Computing kpt #: 93 total cpu time spent up to now is 225.1 secs Computing kpt #: 94 total cpu time spent up to now is 227.1 secs Computing kpt #: 95 total cpu time spent up to now is 229.1 secs Computing kpt #: 96 total cpu time spent up to now is 231.1 secs Computing kpt #: 97 total cpu time spent up to now is 233.3 secs Computing kpt #: 98 total cpu time spent up to now is 235.5 secs Computing kpt #: 99 total cpu time spent up to now is 237.5 secs Computing kpt #: 100 total cpu time spent up to now is 239.5 secs Computing kpt #: 101 total cpu time spent up to now is 241.5 secs Computing kpt #: 102 total cpu time spent up to now is 243.4 secs Computing kpt #: 103 total cpu time spent up to now is 245.2 secs Computing kpt #: 104 total cpu time spent up to now is 247.3 secs Computing kpt #: 105 total cpu time spent up to now is 249.2 secs Computing kpt #: 106 total cpu time spent up to now is 251.1 secs Computing kpt #: 107 total cpu time spent up to now is 253.1 secs Computing kpt #: 108 total cpu time spent up to now is 255.0 secs Computing kpt #: 109 total cpu time spent up to now is 257.0 secs Computing kpt #: 110 total cpu time spent up to now is 259.0 secs Computing kpt #: 111 total cpu time spent up to now is 260.7 secs Computing kpt #: 112 total cpu time spent up to now is 262.5 secs Computing kpt #: 113 total cpu time spent up to now is 264.2 secs Computing kpt #: 114 total cpu time spent up to now is 265.9 secs Computing kpt #: 115 total cpu time spent up to now is 267.6 secs Computing kpt #: 116 total cpu time spent up to now is 269.4 secs Computing kpt #: 117 total cpu time spent up to now is 271.1 secs Computing kpt #: 118 total cpu time spent up to now is 272.9 secs Computing kpt #: 119 total cpu time spent up to now is 274.7 secs Computing kpt #: 120 total cpu time spent up to now is 276.5 secs Computing kpt #: 121 total cpu time spent up to now is 278.3 secs Computing kpt #: 122 total cpu time spent up to now is 280.0 secs Computing kpt #: 123 total cpu time spent up to now is 281.8 secs Computing kpt #: 124 total cpu time spent up to now is 283.6 secs Computing kpt #: 125 total cpu time spent up to now is 285.5 secs Computing kpt #: 126 total cpu time spent up to now is 287.6 secs Computing kpt #: 127 total cpu time spent up to now is 289.6 secs Computing kpt #: 128 total cpu time spent up to now is 291.5 secs Computing kpt #: 129 total cpu time spent up to now is 293.7 secs Computing kpt #: 130 total cpu time spent up to now is 295.7 secs Computing kpt #: 131 total cpu time spent up to now is 297.5 secs Computing kpt #: 132 total cpu time spent up to now is 299.3 secs Computing kpt #: 133 total cpu time spent up to now is 301.0 secs Computing kpt #: 134 total cpu time spent up to now is 302.7 secs Computing kpt #: 135 total cpu time spent up to now is 304.5 secs Computing kpt #: 136 total cpu time spent up to now is 306.3 secs Computing kpt #: 137 total cpu time spent up to now is 308.0 secs Computing kpt #: 138 total cpu time spent up to now is 309.7 secs Computing kpt #: 139 total cpu time spent up to now is 311.6 secs Computing kpt #: 140 total cpu time spent up to now is 313.3 secs Computing kpt #: 141 total cpu time spent up to now is 315.1 secs Computing kpt #: 142 total cpu time spent up to now is 316.9 secs Computing kpt #: 143 total cpu time spent up to now is 318.7 secs Computing kpt #: 144 total cpu time spent up to now is 320.7 secs Computing kpt #: 145 total cpu time spent up to now is 322.7 secs Computing kpt #: 146 total cpu time spent up to now is 324.8 secs Computing kpt #: 147 total cpu time spent up to now is 326.8 secs Computing kpt #: 148 total cpu time spent up to now is 328.9 secs Computing kpt #: 149 total cpu time spent up to now is 331.0 secs Computing kpt #: 150 total cpu time spent up to now is 333.0 secs Computing kpt #: 151 total cpu time spent up to now is 335.3 secs Computing kpt #: 152 total cpu time spent up to now is 337.4 secs Computing kpt #: 153 total cpu time spent up to now is 339.6 secs Computing kpt #: 154 total cpu time spent up to now is 341.9 secs Computing kpt #: 155 total cpu time spent up to now is 343.9 secs Computing kpt #: 156 total cpu time spent up to now is 346.0 secs Computing kpt #: 157 total cpu time spent up to now is 348.0 secs Computing kpt #: 158 total cpu time spent up to now is 350.2 secs Computing kpt #: 159 total cpu time spent up to now is 352.2 secs Computing kpt #: 160 total cpu time spent up to now is 354.3 secs Computing kpt #: 161 total cpu time spent up to now is 356.3 secs Computing kpt #: 162 total cpu time spent up to now is 358.5 secs Computing kpt #: 163 total cpu time spent up to now is 360.6 secs Computing kpt #: 164 total cpu time spent up to now is 362.6 secs Computing kpt #: 165 total cpu time spent up to now is 364.7 secs Computing kpt #: 166 total cpu time spent up to now is 366.8 secs Computing kpt #: 167 total cpu time spent up to now is 368.8 secs Computing kpt #: 168 total cpu time spent up to now is 370.9 secs Computing kpt #: 169 total cpu time spent up to now is 373.0 secs Computing kpt #: 170 total cpu time spent up to now is 375.1 secs Computing kpt #: 171 total cpu time spent up to now is 377.1 secs Computing kpt #: 172 total cpu time spent up to now is 379.2 secs Computing kpt #: 173 total cpu time spent up to now is 381.3 secs Computing kpt #: 174 total cpu time spent up to now is 383.6 secs Computing kpt #: 175 total cpu time spent up to now is 385.9 secs Computing kpt #: 176 total cpu time spent up to now is 388.0 secs Computing kpt #: 177 total cpu time spent up to now is 390.2 secs Computing kpt #: 178 total cpu time spent up to now is 392.2 secs Computing kpt #: 179 total cpu time spent up to now is 394.2 secs Computing kpt #: 180 total cpu time spent up to now is 396.3 secs Computing kpt #: 181 total cpu time spent up to now is 399.7 secs Computing kpt #: 182 total cpu time spent up to now is 403.2 secs Computing kpt #: 183 total cpu time spent up to now is 405.5 secs Computing kpt #: 184 total cpu time spent up to now is 407.6 secs Computing kpt #: 185 total cpu time spent up to now is 409.7 secs Computing kpt #: 186 total cpu time spent up to now is 411.7 secs Computing kpt #: 187 total cpu time spent up to now is 413.9 secs Computing kpt #: 188 total cpu time spent up to now is 415.9 secs Computing kpt #: 189 total cpu time spent up to now is 417.9 secs Computing kpt #: 190 total cpu time spent up to now is 420.0 secs Computing kpt #: 191 total cpu time spent up to now is 422.0 secs Computing kpt #: 192 total cpu time spent up to now is 424.0 secs Computing kpt #: 193 total cpu time spent up to now is 426.2 secs Computing kpt #: 194 total cpu time spent up to now is 428.3 secs Computing kpt #: 195 total cpu time spent up to now is 430.3 secs Computing kpt #: 196 total cpu time spent up to now is 432.5 secs Computing kpt #: 197 total cpu time spent up to now is 434.7 secs Computing kpt #: 198 total cpu time spent up to now is 437.1 secs Computing kpt #: 199 total cpu time spent up to now is 439.1 secs Computing kpt #: 200 total cpu time spent up to now is 441.1 secs Computing kpt #: 201 total cpu time spent up to now is 443.1 secs Computing kpt #: 202 total cpu time spent up to now is 445.0 secs Computing kpt #: 203 total cpu time spent up to now is 446.9 secs Computing kpt #: 204 total cpu time spent up to now is 448.8 secs Computing kpt #: 205 total cpu time spent up to now is 450.6 secs Computing kpt #: 206 total cpu time spent up to now is 452.2 secs Computing kpt #: 207 total cpu time spent up to now is 454.1 secs Computing kpt #: 208 total cpu time spent up to now is 456.1 secs Computing kpt #: 209 total cpu time spent up to now is 458.0 secs Computing kpt #: 210 total cpu time spent up to now is 459.9 secs Computing kpt #: 211 total cpu time spent up to now is 461.9 secs Computing kpt #: 212 total cpu time spent up to now is 463.9 secs Computing kpt #: 213 total cpu time spent up to now is 465.9 secs Computing kpt #: 214 total cpu time spent up to now is 468.0 secs Computing kpt #: 215 total cpu time spent up to now is 470.0 secs Computing kpt #: 216 total cpu time spent up to now is 471.9 secs Computing kpt #: 217 total cpu time spent up to now is 473.9 secs Computing kpt #: 218 total cpu time spent up to now is 476.1 secs Computing kpt #: 219 total cpu time spent up to now is 478.0 secs Computing kpt #: 220 total cpu time spent up to now is 480.0 secs Computing kpt #: 221 total cpu time spent up to now is 482.0 secs Computing kpt #: 222 total cpu time spent up to now is 484.1 secs Computing kpt #: 223 total cpu time spent up to now is 486.3 secs Computing kpt #: 224 total cpu time spent up to now is 488.5 secs Computing kpt #: 225 total cpu time spent up to now is 490.7 secs Computing kpt #: 226 total cpu time spent up to now is 492.9 secs Computing kpt #: 227 total cpu time spent up to now is 495.1 secs Computing kpt #: 228 total cpu time spent up to now is 497.8 secs Computing kpt #: 229 total cpu time spent up to now is 500.5 secs Computing kpt #: 230 total cpu time spent up to now is 503.1 secs Computing kpt #: 231 total cpu time spent up to now is 505.6 secs Computing kpt #: 232 total cpu time spent up to now is 508.1 secs Computing kpt #: 233 total cpu time spent up to now is 510.8 secs Computing kpt #: 234 total cpu time spent up to now is 513.1 secs Computing kpt #: 235 total cpu time spent up to now is 515.6 secs Computing kpt #: 236 total cpu time spent up to now is 517.9 secs Computing kpt #: 237 total cpu time spent up to now is 520.1 secs Computing kpt #: 238 total cpu time spent up to now is 522.4 secs Computing kpt #: 239 total cpu time spent up to now is 524.5 secs Computing kpt #: 240 total cpu time spent up to now is 526.7 secs Computing kpt #: 241 total cpu time spent up to now is 528.9 secs Computing kpt #: 242 total cpu time spent up to now is 531.0 secs Computing kpt #: 243 total cpu time spent up to now is 533.1 secs Computing kpt #: 244 total cpu time spent up to now is 535.2 secs Computing kpt #: 245 total cpu time spent up to now is 537.2 secs Computing kpt #: 246 total cpu time spent up to now is 539.2 secs Computing kpt #: 247 total cpu time spent up to now is 541.3 secs Computing kpt #: 248 total cpu time spent up to now is 543.0 secs Computing kpt #: 249 total cpu time spent up to now is 544.9 secs Computing kpt #: 250 total cpu time spent up to now is 546.7 secs Computing kpt #: 251 total cpu time spent up to now is 548.4 secs Computing kpt #: 252 total cpu time spent up to now is 550.2 secs Computing kpt #: 253 total cpu time spent up to now is 552.0 secs Computing kpt #: 254 total cpu time spent up to now is 554.0 secs Computing kpt #: 255 total cpu time spent up to now is 556.1 secs Computing kpt #: 256 total cpu time spent up to now is 558.2 secs Computing kpt #: 257 total cpu time spent up to now is 560.2 secs Computing kpt #: 258 total cpu time spent up to now is 562.2 secs Computing kpt #: 259 total cpu time spent up to now is 564.3 secs Computing kpt #: 260 total cpu time spent up to now is 566.4 secs Computing kpt #: 261 total cpu time spent up to now is 568.5 secs Computing kpt #: 262 total cpu time spent up to now is 570.5 secs Computing kpt #: 263 total cpu time spent up to now is 572.2 secs Computing kpt #: 264 total cpu time spent up to now is 574.2 secs Computing kpt #: 265 total cpu time spent up to now is 576.0 secs Computing kpt #: 266 total cpu time spent up to now is 577.8 secs Computing kpt #: 267 total cpu time spent up to now is 579.7 secs Computing kpt #: 268 total cpu time spent up to now is 581.6 secs Computing kpt #: 269 total cpu time spent up to now is 583.4 secs Computing kpt #: 270 total cpu time spent up to now is 585.1 secs Computing kpt #: 271 total cpu time spent up to now is 587.1 secs Computing kpt #: 272 total cpu time spent up to now is 588.9 secs Computing kpt #: 273 total cpu time spent up to now is 590.7 secs Computing kpt #: 274 total cpu time spent up to now is 592.6 secs Computing kpt #: 275 total cpu time spent up to now is 594.4 secs Computing kpt #: 276 total cpu time spent up to now is 596.1 secs Computing kpt #: 277 total cpu time spent up to now is 598.0 secs Computing kpt #: 278 total cpu time spent up to now is 600.0 secs Computing kpt #: 279 total cpu time spent up to now is 601.9 secs Computing kpt #: 280 total cpu time spent up to now is 603.8 secs Computing kpt #: 281 total cpu time spent up to now is 605.8 secs Computing kpt #: 282 total cpu time spent up to now is 608.1 secs Computing kpt #: 283 total cpu time spent up to now is 610.1 secs Computing kpt #: 284 total cpu time spent up to now is 612.2 secs Computing kpt #: 285 total cpu time spent up to now is 614.3 secs Computing kpt #: 286 total cpu time spent up to now is 616.5 secs Computing kpt #: 287 total cpu time spent up to now is 618.8 secs Computing kpt #: 288 total cpu time spent up to now is 621.2 secs Computing kpt #: 289 total cpu time spent up to now is 624.3 secs Computing kpt #: 290 total cpu time spent up to now is 626.5 secs Computing kpt #: 291 total cpu time spent up to now is 628.5 secs Computing kpt #: 292 total cpu time spent up to now is 630.5 secs Computing kpt #: 293 total cpu time spent up to now is 632.4 secs Computing kpt #: 294 total cpu time spent up to now is 634.5 secs Computing kpt #: 295 total cpu time spent up to now is 636.7 secs Computing kpt #: 296 total cpu time spent up to now is 638.6 secs Computing kpt #: 297 total cpu time spent up to now is 640.4 secs Computing kpt #: 298 total cpu time spent up to now is 642.1 secs Computing kpt #: 299 total cpu time spent up to now is 643.8 secs ethr = 3.33E-11, avg # of iterations = 23.8 total cpu time spent up to now is 644.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15049 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5974 -7.5974 -6.2836 -6.2836 0.1106 0.1106 1.1141 1.1141 1.4556 1.4556 2.2092 2.2092 3.1020 3.1020 3.2452 3.2452 3.6826 3.6826 4.0945 4.0945 4.7144 4.7144 5.0545 5.0545 5.1350 5.1350 5.5884 5.5884 k = 0.0122 0.0070-0.0000 ( 15075 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5968 -7.5967 -6.2833 -6.2832 0.1102 0.1127 1.1108 1.1145 1.4540 1.4540 2.2071 2.2112 3.1001 3.1019 3.2448 3.2448 3.6772 3.6842 4.0909 4.0910 4.6934 4.7318 5.0204 5.0752 5.1311 5.1323 5.5915 5.6122 k = 0.0244 0.0141-0.0000 ( 15087 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4228 -43.4228 -43.0321 -43.0321 -7.5951 -7.5949 -6.2823 -6.2822 0.1115 0.1166 1.1045 1.1119 1.4493 1.4494 2.2049 2.2131 3.0960 3.0998 3.2436 3.2436 3.6680 3.6820 4.0802 4.0808 4.6690 4.7457 4.9748 5.0833 5.1194 5.1262 5.6218 5.6575 k = 0.0366 0.0211-0.0000 ( 15101 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5922 -7.5919 -6.2806 -6.2804 0.1145 0.1223 1.0950 1.1063 1.4418 1.4421 2.2026 2.2150 3.0896 3.0957 3.2416 3.2417 3.6551 3.6760 4.0627 4.0646 4.6415 4.7558 4.9219 5.0764 5.1071 5.1184 5.6742 5.7182 k = 0.0488 0.0282-0.0000 ( 15105 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5881 -7.5878 -6.2782 -6.2781 0.1192 0.1296 1.0820 1.0973 1.4316 1.4324 2.2001 2.2167 3.0804 3.0895 3.2388 3.2391 3.6387 3.6662 4.0394 4.0435 4.6110 4.7616 4.8657 5.0538 5.1009 5.1094 5.7419 5.7897 k = 0.0610 0.0352-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5829 -7.5825 -6.2752 -6.2750 0.1254 0.1387 1.0653 1.0849 1.4195 1.4209 2.1976 2.2183 3.0681 3.0809 3.2353 3.2359 3.6192 3.6527 4.0115 4.0187 4.5778 4.7599 4.8120 5.0250 5.0955 5.0992 5.8198 5.8685 k = 0.0732 0.0422-0.0000 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5765 -7.5760 -6.2716 -6.2713 0.1332 0.1495 1.0446 1.0685 1.4060 1.4081 2.1948 2.2197 3.0522 3.0697 3.2311 3.2321 3.5970 3.6356 3.9803 3.9913 4.5422 4.7317 4.7816 4.9951 5.0875 5.0884 5.9039 5.9524 k = 0.0854 0.0493-0.0000 ( 15112 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5690 -7.5685 -6.2674 -6.2671 0.1423 0.1619 1.0197 1.0480 1.3917 1.3946 2.1917 2.2209 3.0321 3.0555 3.2263 3.2278 3.5728 3.6152 3.9472 3.9623 4.5049 4.6788 4.7735 4.9654 5.0743 5.0794 5.9919 6.0395 k = 0.0976 0.0563-0.0000 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5605 -7.5599 -6.2625 -6.2622 0.1528 0.1760 0.9904 1.0233 1.3773 1.3811 2.1883 2.2220 3.0072 3.0378 3.2209 3.2231 3.5474 3.5920 3.9137 3.9326 4.4661 4.6229 4.7668 4.9364 5.0597 5.0682 6.0817 6.1282 k = 0.1098 0.0634-0.0000 ( 15088 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5509 -7.5502 -6.2571 -6.2568 0.1645 0.1915 0.9567 0.9942 1.3632 1.3678 2.1845 2.2227 2.9771 3.0163 3.2150 3.2182 3.5216 3.5666 3.8806 3.9030 4.4264 4.5676 4.7583 4.9081 5.0434 5.0550 6.1717 6.2171 k = 0.1220 0.0704-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5403 -7.5396 -6.2512 -6.2508 0.1771 0.2084 0.9188 0.9610 1.3499 1.3550 2.1802 2.2231 2.9415 2.9904 3.2087 3.2129 3.4965 3.5400 3.8488 3.8738 4.3862 4.5136 4.7475 4.8800 5.0257 5.0399 6.2605 6.3047 k = 0.1341 0.0774-0.0000 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5288 -7.5280 -6.2448 -6.2443 0.1904 0.2265 0.8771 0.9243 1.3375 1.3430 2.1752 2.2231 2.9003 2.9599 3.2020 3.2074 3.4726 3.5131 3.8187 3.8454 4.3458 4.4613 4.7342 4.8519 5.0064 5.0229 6.3467 6.3895 k = 0.1463 0.0845-0.0000 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5163 -7.5154 -6.2379 -6.2374 0.2039 0.2457 0.8323 0.8847 1.3260 1.3318 2.1695 2.2227 2.8539 2.9246 3.1951 3.2018 3.4504 3.4870 3.7903 3.8180 4.3058 4.4108 4.7185 4.8234 4.9856 5.0041 6.4287 6.4702 k = 0.1585 0.0915-0.0000 ( 15096 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5030 -7.5021 -6.2306 -6.2301 0.2172 0.2654 0.7850 0.8433 1.3156 1.3214 2.1628 2.2217 2.8028 2.8849 3.1880 3.1959 3.4303 3.4624 3.7637 3.7917 4.2663 4.3621 4.7004 4.7942 4.9635 4.9837 6.5050 6.5450 k = 0.1707 0.0986-0.0000 ( 15082 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4889 -7.4879 -6.2230 -6.2224 0.2294 0.2852 0.7363 0.8012 1.3060 1.3118 2.1549 2.2200 2.7478 2.8412 3.1807 3.1898 3.4123 3.4399 3.7389 3.7665 4.2275 4.3153 4.6799 4.7641 4.9401 4.9617 6.5743 6.6125 k = 0.1829 0.1056-0.0000 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4740 -7.4730 -6.2150 -6.2144 0.2395 0.3039 0.6878 0.7601 1.2972 1.3027 2.1457 2.2173 2.6897 2.7943 3.1733 3.1835 3.3962 3.4195 3.7156 3.7426 4.1897 4.2703 4.6569 4.7327 4.9157 4.9385 6.6352 6.6713 k = 0.1951 0.1127-0.0000 ( 15106 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4584 -7.4574 -6.2067 -6.2061 0.2460 0.3197 0.6417 0.7219 1.2890 1.2943 2.1349 2.2136 2.6296 2.7450 3.1657 3.1770 3.3818 3.4015 3.6938 3.7199 4.1530 4.2273 4.6316 4.6998 4.8903 4.9141 6.6866 6.7204 k = 0.2073 0.1197-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4423 -7.4412 -6.1982 -6.1975 0.2470 0.3292 0.6019 0.6891 1.2814 1.2865 2.1221 2.2083 2.5686 2.6945 3.1580 3.1701 3.3690 3.3857 3.6735 3.6986 4.1176 4.1861 4.6037 4.6653 4.8643 4.8888 6.7279 6.7593 k = 0.2195 0.1267-0.0000 ( 15092 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.4256 -7.4245 -6.1895 -6.1889 0.2405 0.3271 0.5741 0.6640 1.2744 1.2791 2.1072 2.2009 2.5079 2.6438 3.1501 3.1630 3.3577 3.3719 3.6546 3.6786 4.0834 4.1469 4.5735 4.6290 4.8378 4.8630 6.7591 6.7879 k = 0.2317 0.1338-0.0000 ( 15110 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.4085 -7.4073 -6.1807 -6.1800 0.2248 0.3087 0.5632 0.6486 1.2678 1.2723 2.0898 2.1904 2.4491 2.5938 3.1421 3.1556 3.3476 3.3599 3.6371 3.6600 4.0505 4.1095 4.5408 4.5909 4.8111 4.8367 6.7808 6.8070 k = 0.2439 0.1408-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.3910 -7.3899 -6.1719 -6.1712 0.1998 0.2748 0.5688 0.6434 1.2617 1.2659 2.0696 2.1754 2.3941 2.5454 3.1340 3.1479 3.3386 3.3496 3.6210 3.6429 4.0190 4.0739 4.5058 4.5509 4.7845 4.8103 6.7939 6.8176 k = 0.2561 0.1479-0.0000 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3733 -7.3721 -6.1630 -6.1623 0.1665 0.2305 0.5861 0.6476 1.2560 1.2600 2.0464 2.1538 2.3455 2.4994 3.1257 3.1399 3.3308 3.3408 3.6063 3.6272 3.9889 4.0400 4.4686 4.5092 4.7580 4.7840 6.7998 6.8212 k = 0.2683 0.1549-0.0000 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3554 -7.3542 -6.1542 -6.1535 0.1271 0.1807 0.6104 0.6595 1.2507 1.2546 2.0202 2.1233 2.3059 2.4563 3.1174 3.1316 3.3239 3.3335 3.5930 3.6131 3.9601 4.0080 4.4293 4.4658 4.7321 4.7579 6.8000 6.8192 k = 0.2805 0.1619-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3375 -7.3363 -6.1454 -6.1447 0.0834 0.1283 0.6388 0.6772 1.2460 1.2498 1.9911 2.0840 2.2757 2.4165 3.1089 3.1230 3.3181 3.3276 3.5811 3.6003 3.9326 3.9776 4.3883 4.4210 4.7067 4.7322 6.7956 6.8129 k = 0.2927 0.1690-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3196 -7.3184 -6.1369 -6.1362 0.0374 0.0751 0.6699 0.6990 1.2418 1.2456 1.9595 2.0381 2.2529 2.3799 3.1004 3.1143 3.3134 3.3230 3.5705 3.5891 3.9064 3.9487 4.3458 4.3752 4.6820 4.7071 6.7881 6.8036 k = 0.3049 0.1760-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3018 -7.3006 -6.1285 -6.1278 -0.0098 0.0223 0.7024 0.7236 1.2383 1.2422 1.9258 1.9886 2.2347 2.3463 3.0920 3.1054 3.3097 3.3197 3.5612 3.5792 3.8813 3.9214 4.3022 4.3286 4.6582 4.6827 6.7783 6.7922 k = 0.3171 0.1831-0.0000 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.2843 -7.2832 -6.1204 -6.1198 -0.0569 -0.0295 0.7356 0.7501 1.2354 1.2396 1.8909 1.9382 2.2189 2.3155 3.0836 3.0965 3.3071 3.3178 3.5531 3.5706 3.8572 3.8954 4.2579 4.2817 4.6353 4.6591 6.7671 6.7796 k = 0.3293 0.1901-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.2672 -7.2661 -6.1126 -6.1120 -0.1032 -0.0796 0.7689 0.7776 1.2334 1.2380 1.8554 1.8882 2.2043 2.2869 3.0754 3.0876 3.3058 3.3173 3.5462 3.5632 3.8340 3.8705 4.2135 4.2350 4.6135 4.6364 6.7552 6.7663 k = 0.3415 0.1971-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.2506 -7.2495 -6.1052 -6.1046 -0.1481 -0.1277 0.8017 0.8054 1.2323 1.2377 1.8201 1.8399 2.1901 2.2601 3.0673 3.0788 3.3057 3.3182 3.5404 3.5570 3.8115 3.8467 4.1695 4.1890 4.5927 4.6146 6.7429 6.7529 k = 0.3537 0.2042-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.2346 -7.2336 -6.0982 -6.0976 -0.1911 -0.1734 0.8328 0.8335 1.2322 1.2387 1.7857 1.7938 2.1759 2.2347 3.0596 3.0702 3.3070 3.3205 3.5355 3.5517 3.7895 3.8236 4.1264 4.1442 4.5731 4.5939 6.7308 6.7397 k = 0.3659 0.2112-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.2194 -7.2184 -6.0916 -6.0910 -0.2318 -0.2164 0.8593 0.8636 1.2334 1.2413 1.7506 1.7528 2.1614 2.2104 3.0522 3.0619 3.3097 3.3243 3.5314 3.5474 3.7678 3.8009 4.0850 4.1013 4.5548 4.5743 6.7191 6.7269 k = 0.3780 0.2183-0.0000 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.2050 -7.2041 -6.0854 -6.0849 -0.2699 -0.2565 0.8844 0.8915 1.2358 1.2456 1.7105 1.7219 2.1467 2.1871 3.0452 3.0540 3.3138 3.3297 3.5281 3.5438 3.7461 3.7783 4.0458 4.0608 4.5378 4.5560 6.7080 6.7149 k = 0.3902 0.2253-0.0000 ( 15148 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1915 -7.1907 -6.0798 -6.0793 -0.3050 -0.2935 0.9075 0.9167 1.2396 1.2517 1.6742 1.6934 2.1318 2.1647 3.0386 3.0466 3.3195 3.3367 3.5252 3.5407 3.7242 3.7554 4.0097 4.0234 4.5222 4.5389 6.6977 6.7037 k = 0.4024 0.2323-0.0000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1791 -7.1784 -6.0747 -6.0742 -0.3370 -0.3270 0.9283 0.9387 1.2447 1.2594 1.6418 1.6676 2.1169 2.1432 3.0326 3.0396 3.3268 3.3452 3.5227 3.5381 3.7021 3.7321 3.9771 3.9897 4.5081 4.5233 6.6883 6.6935 k = 0.4146 0.2394-0.0000 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1679 -7.1673 -6.0701 -6.0697 -0.3656 -0.3571 0.9464 0.9572 1.2510 1.2684 1.6137 1.6447 2.1022 2.1227 3.0273 3.0333 3.3357 3.3553 3.5202 3.5357 3.6797 3.7081 3.9487 3.9599 4.4956 4.5091 6.6799 6.6843 k = 0.4268 0.2464-0.0000 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1580 -7.1574 -6.0662 -6.0658 -0.3906 -0.3836 0.9618 0.9722 1.2582 1.2779 1.5905 1.6246 2.0881 2.1037 3.0225 3.0277 3.3461 3.3670 3.5175 3.5333 3.6576 3.6837 3.9246 3.9345 4.4848 4.4965 6.6725 6.6762 k = 0.4390 0.2535-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4232 -43.4232 -43.0320 -43.0320 -7.1495 -7.1489 -6.0628 -6.0625 -0.4120 -0.4062 0.9745 0.9839 1.2661 1.2870 1.5723 1.6074 2.0748 2.0863 3.0185 3.0227 3.3581 3.3799 3.5140 3.5306 3.6363 3.6594 3.9050 3.9133 4.4756 4.4855 6.6663 6.6693 k = 0.4512 0.2605-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1423 -7.1419 -6.0600 -6.0597 -0.4295 -0.4250 0.9847 0.9926 1.2740 1.2946 1.5595 1.5928 2.0630 2.0711 3.0152 3.0186 3.3715 3.3938 3.5094 3.5271 3.6171 3.6362 3.8897 3.8963 4.4682 4.4762 6.6612 6.6636 k = 0.4634 0.2676-0.0000 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1367 -7.1364 -6.0578 -6.0576 -0.4431 -0.4398 0.9925 0.9987 1.2818 1.2999 1.5519 1.5805 2.0531 2.0584 3.0127 3.0152 3.3859 3.4079 3.5032 3.5220 3.6013 3.6155 3.8783 3.8833 4.4626 4.4687 6.6572 6.6590 k = 0.4756 0.2746-0.0000 ( 15142 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1326 -7.1324 -6.0562 -6.0560 -0.4528 -0.4505 0.9982 1.0024 1.2889 1.3024 1.5492 1.5702 2.0457 2.0489 3.0110 3.0127 3.4007 3.4204 3.4965 3.5146 3.5901 3.5991 3.8707 3.8740 4.4589 4.4630 6.6545 6.6557 k = 0.4878 0.2816-0.0000 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1301 -7.1300 -6.0552 -6.0551 -0.4584 -0.4572 1.0019 1.0041 1.2949 1.3022 1.5505 1.5616 2.0413 2.0427 3.0102 3.0110 3.4147 3.4276 3.4927 3.5051 3.5841 3.5883 3.8666 3.8682 4.4571 4.4591 6.6530 6.6535 k = 0.5000 0.2887-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1293 -7.1293 -6.0549 -6.0549 -0.4599 -0.4599 1.0039 1.0039 1.2995 1.2995 1.5549 1.5549 2.0402 2.0402 3.0102 3.0102 3.4252 3.4252 3.4962 3.4962 3.5834 3.5834 3.8658 3.8658 4.4572 4.4572 6.6526 6.6526 k = 0.5000 0.2887-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1293 -7.1293 -6.0549 -6.0549 -0.4599 -0.4599 1.0039 1.0039 1.2995 1.2995 1.5549 1.5549 2.0402 2.0402 3.0102 3.0102 3.4252 3.4252 3.4962 3.4962 3.5834 3.5834 3.8658 3.8658 4.4572 4.4572 6.6526 6.6526 k = 0.4931 0.3007-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1291 -7.1289 -6.0548 -6.0547 -0.4602 -0.4576 0.9999 1.0056 1.2928 1.3039 1.5534 1.5579 2.0391 2.0407 3.0059 3.0089 3.4224 3.4275 3.4823 3.5097 3.5655 3.6004 3.8606 3.8728 4.4501 4.4585 6.6583 6.6623 k = 0.4861 0.3127-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1285 -7.1281 -6.0545 -6.0544 -0.4585 -0.4534 0.9934 1.0047 1.2841 1.3061 1.5535 1.5623 2.0375 2.0407 2.9962 3.0021 3.4184 3.4295 3.4691 3.5212 3.5483 3.6157 3.8574 3.8813 4.4375 4.4541 6.6790 6.6870 k = 0.4792 0.3248-0.0000 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1275 -7.1268 -6.0540 -6.0539 -0.4550 -0.4472 0.9843 1.0007 1.2742 1.3063 1.5551 1.5679 2.0353 2.0400 2.9810 2.9901 3.4123 3.4314 3.4583 3.5200 3.5427 3.6292 3.8562 3.8906 4.4200 4.4445 6.7143 6.7264 k = 0.4722 0.3368-0.0000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1259 -7.1251 -6.0533 -6.0532 -0.4496 -0.4391 0.9721 0.9928 1.2641 1.3052 1.5584 1.5746 2.0327 2.0387 2.9607 2.9730 3.4029 3.4330 3.4510 3.5040 3.5517 3.6408 3.8565 3.9001 4.3983 4.4302 6.7634 6.7797 k = 0.4653 0.3488-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1240 -7.1229 -6.0524 -6.0522 -0.4424 -0.4291 0.9563 0.9801 1.2550 1.3037 1.5632 1.5824 2.0295 2.0368 2.9355 2.9510 3.3908 3.4344 3.4468 3.4867 3.5625 3.6507 3.8578 3.9092 4.3734 4.4122 6.8251 6.8460 k = 0.4583 0.3608-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1216 -7.1204 -6.0513 -6.0511 -0.4333 -0.4171 0.9364 0.9617 1.2482 1.3026 1.5694 1.5912 2.0259 2.0345 2.9060 2.9244 3.3771 3.4354 3.4436 3.4715 3.5732 3.6592 3.8594 3.9172 4.3462 4.3913 6.8983 6.9239 k = 0.4514 0.3729-0.0000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1189 -7.1174 -6.0501 -6.0499 -0.4226 -0.4033 0.9121 0.9373 1.2447 1.3027 1.5766 1.6007 2.0217 2.0316 2.8725 2.8937 3.3630 3.4340 3.4397 3.4615 3.5840 3.6667 3.8609 3.9237 4.3178 4.3684 6.9813 7.0120 k = 0.4444 0.3849-0.0000 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1158 -7.1141 -6.0487 -6.0485 -0.4101 -0.3875 0.8832 0.9068 1.2447 1.3047 1.5849 1.6111 2.0172 2.0284 2.8356 2.8594 3.3489 3.4241 3.4396 3.4578 3.5948 3.6735 3.8619 3.9283 4.2890 4.3443 7.0724 7.1086 k = 0.4375 0.3969-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1124 -7.1106 -6.0472 -6.0470 -0.3960 -0.3700 0.8499 0.8710 1.2483 1.3089 1.5937 1.6220 2.0124 2.0250 2.7960 2.8219 3.3351 3.4108 3.4408 3.4573 3.6059 3.6798 3.8621 3.9307 4.2606 4.3197 7.1693 7.2111 k = 0.4306 0.4090-0.0000 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1088 -7.1067 -6.0457 -6.0454 -0.3805 -0.3506 0.8122 0.8309 1.2552 1.3155 1.6030 1.6333 2.0074 2.0215 2.7541 2.7817 3.3219 3.3972 3.4422 3.4578 3.6174 3.6858 3.8615 3.9311 4.2331 4.2950 7.2684 7.3159 k = 0.4236 0.4210-0.0000 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1049 -7.1027 -6.0440 -6.0437 -0.3636 -0.3295 0.7704 0.7878 1.2649 1.3244 1.6123 1.6446 2.0026 2.0182 2.7104 2.7394 3.3092 3.3841 3.4436 3.4586 3.6293 3.6914 3.8604 3.9294 4.2068 4.2707 7.3643 7.4161 k = 0.4167 0.4330-0.0000 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1009 -7.0985 -6.0423 -6.0420 -0.3454 -0.3068 0.7247 0.7431 1.2770 1.3357 1.6212 1.6557 1.9983 2.0154 2.6654 2.6956 3.2972 3.3716 3.4450 3.4594 3.6417 3.6967 3.8591 3.9260 4.1820 4.2469 7.4477 7.4997 k = 0.4097 0.4450-0.0000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0968 -7.0943 -6.0406 -6.0402 -0.3261 -0.2825 0.6758 0.6976 1.2913 1.3491 1.6292 1.6659 1.9951 2.0132 2.6195 2.6508 3.2859 3.3599 3.4462 3.4602 3.6545 3.7015 3.8580 3.9212 4.1585 4.2238 7.5060 7.5512 k = 0.4028 0.4571-0.0000 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0927 -7.0900 -6.0388 -6.0384 -0.3060 -0.2567 0.6249 0.6519 1.3073 1.3644 1.6357 1.6749 1.9934 2.0121 2.5732 2.6055 3.2752 3.3490 3.4473 3.4608 3.6676 3.7057 3.8574 3.9157 4.1363 4.2013 7.5316 7.5669 k = 0.3958 0.4691-0.0000 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0886 -7.0858 -6.0371 -6.0367 -0.2854 -0.2295 0.5728 0.6065 1.3248 1.3815 1.6402 1.6819 1.9940 2.0124 2.5267 2.5604 3.2654 3.3390 3.4484 3.4612 3.6808 3.7093 3.8579 3.9099 4.1150 4.1794 7.5310 7.5591 k = 0.3889 0.4811-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0846 -7.0817 -6.0355 -6.0351 -0.2644 -0.2011 0.5205 0.5621 1.3436 1.4002 1.6419 1.6864 1.9975 2.0146 2.4806 2.5160 3.2564 3.3299 3.4493 3.4615 3.6932 3.7127 3.8594 3.9048 4.0946 4.1581 7.5163 7.5405 k = 0.3819 0.4932-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0808 -7.0778 -6.0339 -6.0335 -0.2435 -0.1718 0.4688 0.5194 1.3634 1.4202 1.6404 1.6879 2.0044 2.0189 2.4351 2.4730 3.2484 3.3218 3.4501 3.4615 3.7028 3.7178 3.8618 3.9011 4.0748 4.1374 7.4960 7.5182 k = 0.3750 0.5052-0.0000 ( 15120 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0773 -7.0742 -6.0325 -6.0321 -0.2233 -0.1417 0.4184 0.4794 1.3841 1.4413 1.6353 1.6863 2.0148 2.0255 2.3908 2.4320 3.2413 3.3147 3.4509 3.4613 3.7068 3.7272 3.8646 3.8999 4.0556 4.1174 7.4747 7.4958 k = 0.3681 0.5172-0.0000 ( 15110 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0741 -7.0709 -6.0312 -6.0308 -0.2044 -0.1115 0.3702 0.4430 1.4053 1.4633 1.6265 1.6814 2.0283 2.0348 2.3479 2.3937 3.2352 3.3087 3.4516 3.4609 3.7076 3.7382 3.8670 3.9019 4.0372 4.0981 7.4547 7.4751 k = 0.3611 0.5292-0.0000 ( 15110 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0713 -7.0681 -6.0301 -6.0296 -0.1874 -0.0817 0.3253 0.4112 1.4267 1.4858 1.6143 1.6735 2.0416 2.0489 2.3071 2.3592 3.2302 3.3037 3.4523 3.4603 3.7072 3.7486 3.8693 3.9071 4.0198 4.0799 7.4374 7.4573 k = 0.3542 0.5413-0.0000 ( 15118 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0691 -7.0657 -6.0292 -6.0287 -0.1732 -0.0537 0.2850 0.3851 1.4479 1.5082 1.5993 1.6631 2.0528 2.0682 2.2690 2.3294 3.2263 3.2999 3.4530 3.4595 3.7064 3.7573 3.8721 3.9141 4.0040 4.0634 7.4234 7.4429 k = 0.3472 0.5533-0.0000 ( 15114 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0673 -7.0640 -6.0285 -6.0281 -0.1625 -0.0294 0.2519 0.3657 1.4680 1.5295 1.5825 1.6512 2.0624 2.0894 2.2349 2.3061 3.2235 3.2972 3.4537 3.4586 3.7056 3.7636 3.8754 3.9214 3.9910 4.0494 7.4132 7.4325 k = 0.3403 0.5653-0.0000 ( 15108 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0662 -7.0628 -6.0281 -6.0276 -0.1560 -0.0123 0.2293 0.3539 1.4848 1.5473 1.5665 1.6401 2.0691 2.1090 2.2075 2.2911 3.2219 3.2957 3.4543 3.4578 3.7050 3.7673 3.8786 3.9269 3.9822 4.0396 7.4070 7.4262 k = 0.3333 0.5774-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0659 -7.0625 -6.0280 -6.0275 -0.1539 -0.0060 0.2212 0.3500 1.4926 1.5547 1.5592 1.6348 2.0715 2.1184 2.1956 2.2860 3.2213 3.2951 3.4547 3.4573 3.7048 3.7686 3.8800 3.9290 3.9790 4.0360 7.4049 7.4240 k = 0.3333 0.5774-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0659 -7.0625 -6.0280 -6.0275 -0.1539 -0.0060 0.2212 0.3500 1.4926 1.5547 1.5592 1.6348 2.0715 2.1184 2.1956 2.2860 3.2213 3.2951 3.4547 3.4573 3.7048 3.7686 3.8800 3.9290 3.9790 4.0360 7.4049 7.4240 k = 0.3262 0.5651-0.0000 ( 15108 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0663 -7.0629 -6.0281 -6.0276 -0.1559 -0.0121 0.2292 0.3539 1.4837 1.5521 1.5616 1.6412 2.0693 2.1092 2.2075 2.2911 3.2219 3.2957 3.4543 3.4578 3.7050 3.7673 3.8785 3.9267 3.9824 4.0399 7.4071 7.4262 k = 0.3191 0.5528-0.0000 ( 15110 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0676 -7.0642 -6.0286 -6.0281 -0.1614 -0.0275 0.2505 0.3652 1.4630 1.5353 1.5756 1.6567 2.0639 2.0913 2.2335 2.3054 3.2235 3.2971 3.4537 3.4590 3.7057 3.7638 3.8750 3.9205 3.9925 4.0504 7.4136 7.4329 k = 0.3121 0.5405-0.0000 ( 15116 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0698 -7.0665 -6.0295 -6.0290 -0.1691 -0.0473 0.2803 0.3827 1.4375 1.5117 1.5925 1.6753 2.0579 2.0735 2.2649 2.3267 3.2262 3.2995 3.4533 3.4606 3.7069 3.7583 3.8713 3.9122 4.0077 4.0656 7.4244 7.4439 k = 0.3050 0.5282-0.0000 ( 15114 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0730 -7.0697 -6.0307 -6.0302 -0.1779 -0.0681 0.3151 0.4053 1.4098 1.4844 1.6095 1.6939 2.0531 2.0590 2.2989 2.3528 3.2297 3.3026 3.4533 3.4626 3.7083 3.7511 3.8687 3.9039 4.0266 4.0841 7.4394 7.4591 k = 0.2979 0.5159-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0772 -7.0740 -6.0323 -6.0318 -0.1866 -0.0877 0.3528 0.4318 1.3808 1.4545 1.6258 1.7109 2.0489 2.0511 2.3344 2.3824 3.2341 3.3062 3.4541 3.4648 3.7097 3.7429 3.8679 3.8971 4.0480 4.1048 7.4584 7.4785 k = 0.2908 0.5036-0.0000 ( 15130 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0825 -7.0794 -6.0344 -6.0339 -0.1944 -0.1051 0.3922 0.4612 1.3510 1.4226 1.6413 1.7258 2.0437 2.0526 2.3710 2.4145 3.2390 3.3101 3.4556 3.4672 3.7111 3.7347 3.8686 3.8933 4.0712 4.1271 7.4812 7.5018 k = 0.2837 0.4914-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0889 -7.0858 -6.0368 -6.0363 -0.2005 -0.1195 0.4325 0.4927 1.3206 1.3890 1.6561 1.7383 2.0436 2.0580 2.4083 2.4485 3.2444 3.3141 3.4581 3.4697 3.7122 3.7275 3.8706 3.8934 4.0960 4.1508 7.5077 7.5289 k = 0.2766 0.4791-0.0000 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0963 -7.0934 -6.0397 -6.0392 -0.2043 -0.1305 0.4732 0.5257 1.2897 1.3542 1.6705 1.7488 2.0481 2.0671 2.4462 2.4837 3.2502 3.3182 3.4615 3.4720 3.7129 3.7224 3.8741 3.8976 4.1219 4.1757 7.5375 7.5595 k = 0.2695 0.4668-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1049 -7.1020 -6.0430 -6.0426 -0.2053 -0.1378 0.5139 0.5593 1.2585 1.3184 1.6849 1.7578 2.0565 2.0799 2.4844 2.5198 3.2560 3.3220 3.4655 3.4741 3.7138 3.7202 3.8800 3.9052 4.1489 4.2017 7.5703 7.5933 k = 0.2624 0.4545-0.0000 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1145 -7.1117 -6.0468 -6.0463 -0.2034 -0.1414 0.5541 0.5932 1.2272 1.2820 1.6998 1.7665 2.0679 2.0957 2.5228 2.5566 3.2618 3.3256 3.4694 3.4762 3.7162 3.7205 3.8889 3.9156 4.1768 4.2286 7.6056 7.6300 k = 0.2553 0.4422-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1252 -7.1225 -6.0511 -6.0506 -0.1982 -0.1410 0.5934 0.6266 1.1960 1.2455 1.7156 1.7757 2.0813 2.1141 2.5612 2.5939 3.2674 3.3291 3.4713 3.4795 3.7220 3.7230 3.9010 3.9284 4.2056 4.2564 7.6427 7.6690 k = 0.2482 0.4299-0.0000 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1369 -7.1343 -6.0558 -6.0552 -0.1897 -0.1367 0.6313 0.6591 1.1652 1.2094 1.7325 1.7863 2.0961 2.1345 2.5996 2.6313 3.2727 3.3324 3.4706 3.4841 3.7277 3.7319 3.9165 3.9433 4.2351 4.2850 7.6807 7.7097 k = 0.2411 0.4177-0.0000 ( 15148 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1495 -7.1471 -6.0609 -6.0604 -0.1777 -0.1285 0.6672 0.6898 1.1352 1.1745 1.7507 1.7992 2.1117 2.1564 2.6379 2.6686 3.2778 3.3357 3.4683 3.4889 3.7349 3.7462 3.9353 3.9603 4.2654 4.3144 7.7179 7.7512 k = 0.2340 0.4054-0.0000 ( 15142 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1631 -7.1608 -6.0666 -6.0660 -0.1623 -0.1163 0.7000 0.7181 1.1065 1.1419 1.7702 1.8151 2.1276 2.1793 2.6758 2.7058 3.2825 3.3391 3.4650 3.4933 3.7450 3.7645 3.9574 3.9795 4.2963 4.3445 7.7516 7.7917 k = 0.2270 0.3931-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1776 -7.1754 -6.0726 -6.0720 -0.1435 -0.1003 0.7280 0.7432 1.0800 1.1134 1.7907 1.8344 2.1435 2.2030 2.7132 2.7427 3.2870 3.3427 3.4613 3.4973 3.7579 3.7865 3.9825 4.0008 4.3279 4.3753 7.7771 7.8284 k = 0.2199 0.3808-0.0000 ( 15124 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1928 -7.1907 -6.0791 -6.0784 -0.1214 -0.0805 0.7490 0.7639 1.0572 1.0909 1.8123 1.8574 2.1593 2.2274 2.7501 2.7789 3.2913 3.3465 3.4576 3.5008 3.7736 3.8115 4.0107 4.0244 4.3599 4.4068 7.7876 7.8561 k = 0.2128 0.3685-0.0000 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.2088 -7.2068 -6.0859 -6.0853 -0.0961 -0.0571 0.7607 0.7782 1.0403 1.0763 1.8348 1.8840 2.1748 2.2522 2.7863 2.8144 3.2954 3.3506 3.4545 3.5041 3.7918 3.8388 4.0418 4.0505 4.3925 4.4388 7.7780 7.8668 k = 0.2057 0.3562-0.0000 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7438 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.2254 -7.2235 -6.0932 -6.0925 -0.0679 -0.0301 0.7626 0.7831 1.0323 1.0707 1.8583 1.9140 2.1901 2.2777 2.8217 2.8490 3.2993 3.3549 3.4525 3.5077 3.8121 3.8679 4.0752 4.0795 4.4254 4.4712 7.7500 7.8540 k = 0.1986 0.3440-0.0000 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4233 -43.4231 -43.0321 -43.0321 -7.2425 -7.2407 -6.1008 -6.1001 -0.0371 0.0002 0.7553 0.7773 1.0344 1.0736 1.8828 1.9467 2.2053 2.3040 2.8560 2.8824 3.3032 3.3592 3.4521 3.5120 3.8342 3.8982 4.1083 4.1139 4.4587 4.5041 7.7095 7.8193 k = 0.1915 0.3317-0.0000 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2601 -7.2584 -6.1088 -6.1081 -0.0040 0.0335 0.7401 0.7626 1.0454 1.0834 1.9082 1.9817 2.2208 2.3313 2.8892 2.9146 3.3071 3.3634 3.4539 3.5173 3.8578 3.9293 4.1418 4.1528 4.4922 4.5373 7.6611 7.7697 k = 0.1844 0.3194-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2780 -7.2764 -6.1170 -6.1163 0.0308 0.0697 0.7190 0.7429 1.0623 1.0979 1.9340 2.0181 2.2372 2.3598 2.9211 2.9452 3.3110 3.3674 3.4582 3.5240 3.8826 3.9607 4.1773 4.1943 4.5259 4.5708 7.6073 7.7105 k = 0.1773 0.3071-0.0000 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2963 -7.2946 -6.1255 -6.1248 0.0668 0.1084 0.6938 0.7213 1.0824 1.1152 1.9599 2.0546 2.2553 2.3900 2.9515 2.9742 3.3150 3.3710 3.4653 3.5323 3.9084 3.9924 4.2147 4.2378 4.5597 4.6044 7.5491 7.6446 k = 0.1702 0.2948-0.0000 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.3146 -7.3131 -6.1342 -6.1334 0.1031 0.1489 0.6666 0.7002 1.1039 1.1340 1.9855 2.0898 2.2768 2.4222 2.9804 3.0015 3.3192 3.3743 3.4754 3.5426 3.9351 4.0241 4.2537 4.2829 4.5934 4.6379 7.4869 7.5736 k = 0.1631 0.2825-0.0000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3331 -7.3316 -6.1430 -6.1423 0.1388 0.1905 0.6391 0.6813 1.1258 1.1532 2.0102 2.1216 2.3033 2.4567 3.0076 3.0268 3.3237 3.3777 3.4884 3.5549 3.9626 4.0559 4.2940 4.3291 4.6270 4.6715 7.4207 7.4983 k = 0.1560 0.2702-0.0000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3515 -7.3501 -6.1520 -6.1513 0.1725 0.2320 0.6132 0.6661 1.1473 1.1723 2.0336 2.1482 2.3365 2.4937 3.0330 3.0503 3.3287 3.3813 3.5042 3.5694 3.9908 4.0878 4.3351 4.3761 4.6604 4.7047 7.3507 7.4196 k = 0.1489 0.2580-0.0000 ( 15112 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3698 -7.3684 -6.1611 -6.1603 0.2025 0.2715 0.5913 0.6564 1.1681 1.1909 2.0554 2.1690 2.3767 2.5332 3.0565 3.0719 3.3342 3.3854 3.5225 3.5860 4.0198 4.1199 4.3764 4.4235 4.6935 4.7377 7.2767 7.3379 k = 0.1418 0.2457-0.0000 ( 15100 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3879 -7.3866 -6.1701 -6.1694 0.2270 0.3058 0.5765 0.6539 1.1879 1.2088 2.0752 2.1845 2.4232 2.5752 3.0781 3.0917 3.3407 3.3903 3.5430 3.6047 4.0494 4.1524 4.4174 4.4708 4.7262 4.7702 7.1990 7.2537 k = 0.1348 0.2334-0.0000 ( 15086 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.4057 -7.4044 -6.1792 -6.1785 0.2445 0.3301 0.5736 0.6602 1.2067 1.2258 2.0931 2.1960 2.4743 2.6192 3.0978 3.1098 3.3482 3.3964 3.5657 3.6253 4.0798 4.1853 4.4578 4.5175 4.7585 4.8021 7.1177 7.1673 k = 0.1277 0.2211-0.0000 ( 15084 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.4231 -7.4219 -6.1881 -6.1875 0.2541 0.3405 0.5863 0.6758 1.2245 1.2419 2.1089 2.2044 2.5286 2.6649 3.1156 3.1262 3.3570 3.4038 3.5902 3.6476 4.1109 4.2189 4.4969 4.5634 4.7903 4.8332 7.0331 7.0792 k = 0.1206 0.2088-0.0000 ( 15080 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4400 -7.4389 -6.1970 -6.1963 0.2563 0.3374 0.6139 0.7000 1.2413 1.2572 2.1228 2.2106 2.5847 2.7114 3.1315 3.1413 3.3674 3.4129 3.6164 3.6716 4.1428 4.2533 4.5345 4.6079 4.8214 4.8635 6.9456 6.9894 k = 0.1135 0.1965-0.0000 ( 15072 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4564 -7.4553 -6.2056 -6.2050 0.2524 0.3250 0.6518 0.7312 1.2573 1.2718 2.1349 2.2152 2.6416 2.7579 3.1457 3.1549 3.3796 3.4241 3.6440 3.6969 4.1756 4.2887 4.5701 4.6509 4.8518 4.8927 6.8556 6.8981 k = 0.1064 0.1843-0.0000 ( 15090 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4722 -7.4712 -6.2140 -6.2134 0.2439 0.3077 0.6954 0.7673 1.2725 1.2858 2.1454 2.2185 2.6981 2.8036 3.1583 3.1673 3.3938 3.4375 3.6730 3.7235 4.2092 4.3254 4.6033 4.6921 4.8813 4.9206 6.7635 6.8055 k = 0.0993 0.1720-0.0000 ( 15081 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4229 -43.0321 -43.0321 -7.4873 -7.4863 -6.2221 -6.2215 0.2326 0.2881 0.7414 0.8063 1.2872 1.2993 2.1545 2.2208 2.7532 2.8476 3.1697 3.1783 3.4100 3.4535 3.7033 3.7512 4.2437 4.3635 4.6339 4.7314 4.9099 4.9472 6.6696 6.7117 k = 0.0922 0.1597-0.0000 ( 15077 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4229 -43.0321 -43.0321 -7.5016 -7.5007 -6.2299 -6.2293 0.2196 0.2678 0.7880 0.8465 1.3016 1.3125 2.1623 2.2223 2.8060 2.8889 3.1799 3.1882 3.4283 3.4722 3.7347 3.7797 4.2791 4.4034 4.6617 4.7687 4.9373 4.9722 6.5744 6.6169 k = 0.0851 0.1474-0.0000 ( 15075 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5152 -7.5143 -6.2373 -6.2368 0.2057 0.2476 0.8336 0.8864 1.3159 1.3257 2.1690 2.2231 2.8554 2.9268 3.1892 3.1969 3.4487 3.4935 3.7673 3.8090 4.3154 4.4452 4.6865 4.8041 4.9633 4.9954 6.4782 6.5213 k = 0.0780 0.1351-0.0000 ( 15099 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5278 -7.5270 -6.2443 -6.2438 0.1918 0.2281 0.8773 0.9248 1.3302 1.3389 2.1748 2.2234 2.9006 2.9607 3.1977 3.2047 3.4711 3.5170 3.8009 3.8389 4.3524 4.4893 4.7081 4.8378 4.9879 5.0167 6.3815 6.4253 k = 0.0709 0.1228-0.0000 ( 15095 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5395 -7.5387 -6.2508 -6.2503 0.1782 0.2097 0.9182 0.9608 1.3448 1.3523 2.1799 2.2233 2.9411 2.9904 3.2055 3.2116 3.4951 3.5419 3.8356 3.8692 4.3902 4.5357 4.7264 4.8702 5.0107 5.0359 6.2846 6.3294 k = 0.0638 0.1106-0.0000 ( 15095 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5503 -7.5495 -6.2568 -6.2564 0.1654 0.1926 0.9557 0.9935 1.3598 1.3660 2.1843 2.2229 2.9763 3.0159 3.2127 3.2177 3.5203 3.5673 3.8710 3.8999 4.4283 4.5846 4.7415 4.9015 5.0316 5.0529 6.1883 6.2340 k = 0.0567 0.0983-0.0000 ( 15105 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5600 -7.5593 -6.2622 -6.2619 0.1535 0.1768 0.9893 1.0224 1.3750 1.3799 2.1881 2.2221 3.0063 3.0373 3.2192 3.2231 3.5461 3.5919 3.9070 3.9307 4.4665 4.6360 4.7532 4.9322 5.0505 5.0676 6.0930 6.1397 k = 0.0496 0.0860-0.0000 ( 15121 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5686 -7.5681 -6.2671 -6.2668 0.1429 0.1626 1.0187 1.0472 1.3901 1.3939 2.1915 2.2210 3.0313 3.0550 3.2251 3.2280 3.5717 3.6147 3.9427 3.9610 4.5044 4.6895 4.7617 4.9627 5.0672 5.0801 5.9996 6.0473 k = 0.0426 0.0737-0.0000 ( 15121 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5762 -7.5757 -6.2714 -6.2712 0.1335 0.1500 1.0438 1.0678 1.4050 1.4075 2.1946 2.2198 3.0516 3.0693 3.2304 3.2323 3.5961 3.6350 3.9772 3.9904 4.5413 4.7433 4.7685 4.9933 5.0815 5.0906 5.9092 5.9578 k = 0.0355 0.0614-0.0000 ( 15105 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5826 -7.5822 -6.2751 -6.2749 0.1256 0.1391 1.0647 1.0844 1.4188 1.4205 2.1975 2.2183 3.0677 3.0806 3.2348 3.2360 3.6185 3.6522 4.0096 4.0181 4.5767 4.7641 4.8063 5.0238 5.0927 5.0999 5.8233 5.8722 k = 0.0284 0.0491-0.0000 ( 15099 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5879 -7.5876 -6.2782 -6.2780 0.1193 0.1299 1.0816 1.0970 1.4312 1.4321 2.2001 2.2167 3.0801 3.0893 3.2385 3.2392 3.6382 3.6659 4.0383 4.0431 4.6101 4.7624 4.8636 5.0530 5.1000 5.1093 5.7443 5.7921 k = 0.0213 0.0369-0.0000 ( 15099 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5921 -7.5918 -6.2805 -6.2804 0.1146 0.1224 1.0947 1.1061 1.4415 1.4419 2.2025 2.2150 3.0894 3.0956 3.2414 3.2417 3.6548 3.6759 4.0621 4.0643 4.6409 4.7561 4.9206 5.0760 5.1068 5.1183 5.6755 5.7198 k = 0.0142 0.0246-0.0000 ( 15095 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4228 -43.4228 -43.0321 -43.0321 -7.5950 -7.5949 -6.2822 -6.2821 0.1115 0.1167 1.1044 1.1119 1.4492 1.4494 2.2048 2.2132 3.0959 3.0997 3.2435 3.2436 3.6678 3.6820 4.0799 4.0806 4.6687 4.7459 4.9741 5.0833 5.1192 5.1261 5.6224 5.6583 k = 0.0071 0.0123-0.0000 ( 15075 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5968 -7.5967 -6.2832 -6.2832 0.1102 0.1128 1.1108 1.1145 1.4540 1.4540 2.2071 2.2112 3.1001 3.1019 3.2447 3.2448 3.6771 3.6842 4.0909 4.0909 4.6932 4.7320 5.0201 5.0753 5.1310 5.1322 5.5917 5.6125 k = 0.0000 0.0000 0.0000 ( 15049 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5974 -7.5974 -6.2836 -6.2836 0.1106 0.1106 1.1141 1.1141 1.4556 1.4556 2.2092 2.2092 3.1020 3.1020 3.2452 3.2452 3.6826 3.6826 4.0945 4.0945 4.7144 4.7144 5.0545 5.0545 5.1350 5.1350 5.5884 5.5884 k = 0.0000 0.0000 0.0000 ( 15049 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5974 -7.5974 -6.2836 -6.2836 0.1106 0.1106 1.1141 1.1141 1.4556 1.4556 2.2092 2.2092 3.1020 3.1020 3.2452 3.2452 3.6826 3.6826 4.0945 4.0945 4.7144 4.7144 5.0545 5.0545 5.1350 5.1350 5.5884 5.5884 k = 0.0000 0.0000 0.0143 ( 15085 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5971 -7.5971 -6.2840 -6.2840 0.1127 0.1127 1.1142 1.1142 1.4556 1.4556 2.2068 2.2068 3.1014 3.1014 3.2444 3.2450 3.6836 3.6836 4.0950 4.0961 4.7114 4.7114 5.0508 5.0508 5.1343 5.1350 5.5950 5.5950 k = 0.0000 0.0000 0.0286 ( 15103 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5964 -7.5964 -6.2855 -6.2855 0.1191 0.1191 1.1143 1.1143 1.4556 1.4557 2.1995 2.1995 3.0997 3.0997 3.2428 3.2439 3.6866 3.6866 4.0974 4.0997 4.7025 4.7025 5.0406 5.0406 5.1330 5.1344 5.6137 5.6137 k = 0.0000 0.0000 0.0429 ( 15104 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5951 -7.5951 -6.2878 -6.2878 0.1297 0.1297 1.1146 1.1146 1.4556 1.4557 2.1874 2.1874 3.0970 3.0970 3.2404 3.2420 3.6916 3.6916 4.1018 4.1051 4.6878 4.6878 5.0263 5.0263 5.1312 5.1332 5.6421 5.6421 k = 0.0000 0.0000 0.0571 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5935 -7.5935 -6.2911 -6.2911 0.1444 0.1444 1.1149 1.1149 1.4556 1.4557 2.1705 2.1705 3.0933 3.0933 3.2372 3.2393 3.6983 3.6983 4.1081 4.1124 4.6678 4.6678 5.0101 5.0101 5.1287 5.1314 5.6775 5.6775 k = 0.0000 0.0000 0.0714 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5913 -7.5913 -6.2951 -6.2951 0.1631 0.1631 1.1153 1.1153 1.4556 1.4558 2.1490 2.1490 3.0888 3.0888 3.2334 3.2359 3.7066 3.7066 4.1161 4.1213 4.6431 4.6431 4.9939 4.9939 5.1257 5.1290 5.7172 5.7172 k = 0.0000 0.0000 0.0857 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5888 -7.5888 -6.2999 -6.2999 0.1857 0.1857 1.1159 1.1159 1.4556 1.4558 2.1229 2.1229 3.0836 3.0836 3.2290 3.2318 3.7163 3.7163 4.1257 4.1317 4.6148 4.6148 4.9789 4.9789 5.1221 5.1260 5.7590 5.7590 k = 0.0000 0.0000 0.1000 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5860 -7.5860 -6.3053 -6.3053 0.2120 0.2120 1.1166 1.1166 1.4557 1.4559 2.0925 2.0925 3.0778 3.0778 3.2241 3.2273 3.7272 3.7272 4.1367 4.1433 4.5841 4.5841 4.9654 4.9654 5.1181 5.1225 5.8014 5.8014 k = 0.0000 0.0000 0.1143 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5828 -7.5828 -6.3113 -6.3113 0.2418 0.2418 1.1174 1.1174 1.4557 1.4559 2.0578 2.0578 3.0717 3.0717 3.2190 3.2223 3.7390 3.7390 4.1488 4.1560 4.5522 4.5522 4.9535 4.9535 5.1136 5.1184 5.8432 5.8432 k = 0.0000 0.0000 0.1286 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5794 -7.5794 -6.3177 -6.3177 0.2748 0.2748 1.1185 1.1185 1.4557 1.4560 2.0193 2.0193 3.0653 3.0653 3.2137 3.2171 3.7515 3.7515 4.1618 4.1695 4.5203 4.5203 4.9430 4.9430 5.1088 5.1140 5.8834 5.8834 k = 0.0000 0.0000 0.1428 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5758 -7.5758 -6.3243 -6.3243 0.3108 0.3108 1.1198 1.1198 1.4558 1.4561 1.9772 1.9772 3.0588 3.0588 3.2082 3.2117 3.7644 3.7644 4.1755 4.1834 4.4891 4.4891 4.9337 4.9337 5.1037 5.1092 5.9216 5.9216 k = 0.0000 0.0000 0.1571 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5721 -7.5721 -6.3312 -6.3312 0.3493 0.3493 1.1214 1.1214 1.4558 1.4561 1.9320 1.9320 3.0524 3.0524 3.2029 3.2063 3.7775 3.7775 4.1896 4.1977 4.4593 4.4593 4.9253 4.9253 5.0984 5.1040 5.9572 5.9572 k = 0.0000 0.0000 0.1714 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5684 -7.5684 -6.3381 -6.3381 0.3899 0.3899 1.1234 1.1234 1.4559 1.4561 1.8840 1.8840 3.0461 3.0461 3.1976 3.2010 3.7904 3.7904 4.2039 4.2119 4.4316 4.4316 4.9178 4.9178 5.0930 5.0987 5.9900 5.9900 k = 0.0000 0.0000 0.1857 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5647 -7.5647 -6.3448 -6.3448 0.4321 0.4321 1.1258 1.1258 1.4559 1.4562 1.8340 1.8340 3.0401 3.0401 3.1927 3.1959 3.8031 3.8031 4.2180 4.2259 4.4062 4.4062 4.9110 4.9110 5.0876 5.0932 6.0199 6.0199 k = 0.0000 0.0000 0.2000 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5612 -7.5612 -6.3513 -6.3513 0.4752 0.4752 1.1289 1.1289 1.4560 1.4562 1.7824 1.7824 3.0345 3.0345 3.1880 3.1910 3.8152 3.8152 4.2317 4.2392 4.3833 4.3833 4.9048 4.9048 5.0823 5.0878 6.0468 6.0468 k = 0.0000 0.0000 0.2143 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5578 -7.5578 -6.3575 -6.3575 0.5184 0.5184 1.1327 1.1327 1.4560 1.4563 1.7302 1.7302 3.0294 3.0294 3.1837 3.1865 3.8265 3.8265 4.2447 4.2518 4.3631 4.3631 4.8993 4.8993 5.0772 5.0824 6.0705 6.0705 k = 0.0000 0.0000 0.2285 ( 15158 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5547 -7.5547 -6.3631 -6.3631 0.5607 0.5607 1.1374 1.1374 1.4561 1.4563 1.6783 1.6783 3.0247 3.0247 3.1799 3.1824 3.8367 3.8367 4.2568 4.2632 4.3456 4.3456 4.8944 4.8944 5.0726 5.0773 6.0911 6.0911 k = 0.0000 0.0000 0.2428 ( 15164 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5519 -7.5519 -6.3680 -6.3680 0.6009 0.6009 1.1432 1.1432 1.4561 1.4563 1.6280 1.6280 3.0207 3.0207 3.1767 3.1788 3.8458 3.8458 4.2676 4.2732 4.3309 4.3309 4.8901 4.8901 5.0684 5.0726 6.1086 6.1086 k = 0.0000 0.0000 0.2571 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5496 -7.5496 -6.3723 -6.3723 0.6375 0.6375 1.1501 1.1501 1.4562 1.4563 1.5807 1.5807 3.0174 3.0174 3.1740 3.1757 3.8535 3.8535 4.2770 4.2817 4.3189 4.3189 4.8866 4.8866 5.0649 5.0684 6.1229 6.1229 k = 0.0000 0.0000 0.2714 ( 15110 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5477 -7.5477 -6.3757 -6.3757 0.6687 0.6687 1.1578 1.1578 1.4562 1.4563 1.5388 1.5388 3.0147 3.0147 3.1719 3.1732 3.8596 3.8596 4.2847 4.2883 4.3096 4.3096 4.8838 4.8838 5.0622 5.0649 6.1341 6.1341 k = 0.0000 0.0000 0.2857 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5463 -7.5463 -6.3781 -6.3781 0.6927 0.6927 1.1655 1.1655 1.4563 1.4563 1.5048 1.5048 3.0128 3.0128 3.1705 3.1713 3.8641 3.8641 4.2905 4.2930 4.3030 4.3030 4.8818 4.8818 5.0603 5.0621 6.1420 6.1420 k = 0.0000 0.0000 0.3000 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5455 -7.5455 -6.3796 -6.3796 0.7079 0.7079 1.1715 1.1715 1.4563 1.4563 1.4823 1.4823 3.0117 3.0117 3.1697 3.1701 3.8668 3.8668 4.2944 4.2956 4.2991 4.2991 4.8806 4.8806 5.0593 5.0603 6.1468 6.1468 k = 0.0000 0.0000 0.3142 ( 15104 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5452 -7.5452 -6.3801 -6.3801 0.7132 0.7132 1.1738 1.1738 1.4563 1.4563 1.4743 1.4743 3.0113 3.0113 3.1696 3.1696 3.8677 3.8677 4.2961 4.2961 4.2978 4.2978 4.8802 4.8802 5.0593 5.0593 6.1484 6.1484 k = 0.0000 0.0000 0.3142 ( 15104 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5452 -7.5452 -6.3801 -6.3801 0.7132 0.7132 1.1738 1.1738 1.4563 1.4563 1.4743 1.4743 3.0113 3.0113 3.1696 3.1696 3.8677 3.8677 4.2961 4.2961 4.2978 4.2978 4.8802 4.8802 5.0593 5.0593 6.1484 6.1484 k = 0.0122 0.0070 0.3142 ( 15118 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5447 -7.5446 -6.3797 -6.3797 0.7084 0.7173 1.1515 1.1929 1.4361 1.4479 1.4766 1.5001 3.0081 3.0130 3.1692 3.1692 3.8650 3.8671 4.2862 4.2874 4.3042 4.3051 4.8755 4.8774 5.0540 5.0541 6.1563 6.1595 k = 0.0244 0.0141 0.3142 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4228 -43.4228 -43.0321 -43.0321 -7.5431 -7.5429 -6.3784 -6.3784 0.7029 0.7210 1.1259 1.2089 1.4050 1.4370 1.4896 1.5280 3.0034 3.0132 3.1682 3.1682 3.8589 3.8632 4.2726 4.2755 4.3098 4.3110 4.8633 4.8671 5.0391 5.0397 6.1825 6.1885 k = 0.0366 0.0211 0.3142 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5403 -7.5400 -6.3763 -6.3762 0.6964 0.7242 1.0971 1.2219 1.3725 1.4267 1.5038 1.5549 2.9972 3.0120 3.1665 3.1666 3.8494 3.8561 4.2560 4.2609 4.3142 4.3151 4.8430 4.8490 5.0167 5.0186 6.2249 6.2332 k = 0.0488 0.0282 0.3142 ( 15100 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5365 -7.5361 -6.3733 -6.3732 0.6887 0.7267 1.0654 1.2317 1.3400 1.4172 1.5184 1.5806 2.9893 3.0092 3.1642 3.1643 3.8363 3.8459 4.2368 4.2434 4.3179 4.3180 4.8147 4.8228 4.9898 4.9937 6.2806 6.2905 k = 0.0610 0.0352 0.3142 ( 15100 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5317 -7.5311 -6.3694 -6.3694 0.6793 0.7282 1.0311 1.2370 1.3096 1.4085 1.5332 1.6050 2.9796 3.0049 3.1611 3.1615 3.8197 3.8326 4.2152 4.2233 4.3199 4.3209 4.7789 4.7887 4.9610 4.9671 6.3463 6.3573 k = 0.0732 0.0422 0.3142 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5257 -7.5251 -6.3648 -6.3647 0.6678 0.7284 0.9948 1.2331 1.2867 1.4006 1.5479 1.6281 2.9681 2.9989 3.1575 3.1581 3.7997 3.8164 4.1920 4.2010 4.3210 4.3235 4.7370 4.7477 4.9318 4.9399 6.4189 6.4305 k = 0.0854 0.0493 0.3142 ( 15098 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5187 -7.5180 -6.3593 -6.3593 0.6536 0.7262 0.9578 1.2141 1.2781 1.3933 1.5624 1.6502 2.9545 2.9911 3.1532 3.1542 3.7764 3.7975 4.1677 4.1770 4.3214 4.3258 4.6907 4.7015 4.9025 4.9125 6.4956 6.5072 k = 0.0976 0.0563 0.3142 ( 15108 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5108 -7.5100 -6.3531 -6.3531 0.6361 0.7199 0.9218 1.1866 1.2781 1.3865 1.5765 1.6712 2.9387 2.9813 3.1485 3.1499 3.7503 3.7762 4.1430 4.1519 4.3211 4.3278 4.6420 4.6519 4.8731 4.8846 6.5736 6.5846 k = 0.1098 0.0634 0.3142 ( 15108 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5018 -7.5009 -6.3461 -6.3461 0.6148 0.7070 0.8897 1.1578 1.2803 1.3802 1.5903 1.6912 2.9206 2.9694 3.1432 3.1451 3.7218 3.7529 4.1182 4.1263 4.3198 4.3295 4.5925 4.6005 4.8432 4.8562 6.6499 6.6601 k = 0.1220 0.0704 0.3142 ( 15108 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4920 -7.4910 -6.3384 -6.3384 0.5891 0.6844 0.8646 1.1303 1.2829 1.3741 1.6035 1.7103 2.9000 2.9551 3.1376 3.1401 3.6916 3.7281 4.0937 4.1004 4.3173 4.3309 4.5437 4.5485 4.8128 4.8271 6.7220 6.7309 k = 0.1341 0.0774 0.3142 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4812 -7.4802 -6.3301 -6.3300 0.5587 0.6508 0.8483 1.1052 1.2853 1.3684 1.6161 1.7286 2.8769 2.9383 3.1316 3.1347 3.6605 3.7024 4.0698 4.0748 4.3126 4.3318 4.4969 4.4971 4.7818 4.7974 6.7870 6.7943 k = 0.1463 0.0845 0.3142 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4696 -7.4685 -6.3211 -6.3211 0.5234 0.6077 0.8393 1.0830 1.2874 1.3628 1.6282 1.7462 2.8512 2.9189 3.1255 3.1292 3.6294 3.6765 4.0465 4.0495 4.3044 4.3320 4.4467 4.4547 4.7503 4.7672 6.8424 6.8478 k = 0.1585 0.0915 0.3142 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4572 -7.4560 -6.3115 -6.3115 0.4834 0.5577 0.8353 1.0639 1.2892 1.3573 1.6396 1.7630 2.8230 2.8968 3.1193 3.1236 3.5991 3.6509 4.0238 4.0247 4.2904 4.3303 4.3993 4.4191 4.7183 4.7366 6.8866 6.8899 k = 0.1707 0.0986 0.3142 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4441 -7.4429 -6.3014 -6.3013 0.4390 0.5030 0.8342 1.0477 1.2905 1.3518 1.6503 1.7790 2.7925 2.8721 3.1131 3.1180 3.5701 3.6261 4.0004 4.0018 4.2685 4.3208 4.3610 4.3927 4.6861 4.7057 6.9187 6.9199 k = 0.1829 0.1056 0.3142 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4304 -7.4290 -6.2907 -6.2907 0.3908 0.4452 0.8347 1.0339 1.2915 1.3464 1.6602 1.7943 2.7601 2.8452 3.1071 3.1125 3.5432 3.6026 3.9767 3.9803 4.2389 4.2895 4.3458 4.3754 4.6538 4.6748 6.9381 6.9389 k = 0.1951 0.1127 0.3142 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4160 -7.4146 -6.2797 -6.2796 0.3394 0.3854 0.8361 1.0221 1.2921 1.3409 1.6695 1.8089 2.7261 2.8163 3.1012 3.1070 3.5186 3.5807 3.9535 3.9594 4.2046 4.2482 4.3420 4.3643 4.6216 4.6441 6.9458 6.9485 k = 0.2073 0.1197 0.3142 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4011 -7.3997 -6.2682 -6.2682 0.2855 0.3242 0.8377 1.0119 1.2922 1.3353 1.6779 1.8225 2.6911 2.7861 3.0955 3.1017 3.4964 3.5607 3.9309 3.9389 4.1684 4.2065 4.3402 4.3566 4.5897 4.6137 6.9449 6.9492 k = 0.2195 0.1267 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.3857 -7.3843 -6.2565 -6.2564 0.2296 0.2622 0.8392 1.0028 1.2919 1.3295 1.6856 1.8353 2.6557 2.7551 3.0902 3.0966 3.4768 3.5424 3.9087 3.9189 4.1322 4.1662 4.3386 4.3504 4.5582 4.5838 6.9372 6.9429 k = 0.2317 0.1338 0.3142 ( 15142 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.3700 -7.3685 -6.2444 -6.2444 0.1725 0.1999 0.8405 0.9943 1.2910 1.3236 1.6926 1.8470 2.6207 2.7241 3.0851 3.0919 3.4597 3.5261 3.8869 3.8993 4.0968 4.1276 4.3367 4.3449 4.5274 4.5548 6.9245 6.9315 k = 0.2439 0.1408 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.3540 -7.3525 -6.2322 -6.2322 0.1146 0.1376 0.8413 0.9861 1.2896 1.3174 1.6988 1.8574 2.5867 2.6937 3.0805 3.0874 3.4449 3.5116 3.8656 3.8801 4.0627 4.0908 4.3343 4.3393 4.4975 4.5267 6.9085 6.9164 k = 0.2561 0.1479 0.3142 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3378 -7.3363 -6.2199 -6.2198 0.0565 0.0759 0.8414 0.9778 1.2875 1.3110 1.7045 1.8665 2.5544 2.6645 3.0762 3.0832 3.4323 3.4988 3.8447 3.8613 4.0302 4.0559 4.3313 4.3333 4.4687 4.4998 6.8902 6.8991 k = 0.2683 0.1549 0.3142 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3215 -7.3199 -6.2075 -6.2074 -0.0014 0.0149 0.8408 0.9694 1.2846 1.3043 1.7095 1.8741 2.5245 2.6370 3.0722 3.0794 3.4216 3.4877 3.8243 3.8429 3.9993 4.0230 4.3267 4.3274 4.4414 4.4744 6.8708 6.8805 k = 0.2805 0.1619 0.3142 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.3051 -7.3036 -6.1951 -6.1950 -0.0586 -0.0449 0.8394 0.9604 1.2810 1.2974 1.7142 1.8800 2.4975 2.6117 3.0687 3.0760 3.4128 3.4781 3.8044 3.8250 3.9701 3.9918 4.3190 4.3223 4.4159 4.4507 6.8511 6.8614 k = 0.2927 0.1690 0.3142 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.2889 -7.2874 -6.1828 -6.1827 -0.1148 -0.1033 0.8372 0.9508 1.2766 1.2901 1.7185 1.8841 2.4740 2.5888 3.0656 3.0729 3.4058 3.4700 3.7850 3.8075 3.9426 3.9624 4.3102 4.3155 4.3930 4.4291 6.8316 6.8424 k = 0.3049 0.1760 0.3142 ( 15154 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.2728 -7.2713 -6.1707 -6.1706 -0.1696 -0.1599 0.8341 0.9406 1.2716 1.2827 1.7227 1.8863 2.4542 2.5685 3.0629 3.0702 3.4003 3.4634 3.7661 3.7904 3.9167 3.9348 4.2999 4.3062 4.3734 4.4097 6.8128 6.8241 k = 0.3171 0.1831 0.3142 ( 15164 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4231 -43.0321 -43.0321 -7.2570 -7.2556 -6.1588 -6.1588 -0.2228 -0.2146 0.8301 0.9296 1.2658 1.2750 1.7268 1.8867 2.4382 2.5509 3.0607 3.0679 3.3963 3.4581 3.7478 3.7738 3.8923 3.9087 4.2882 4.2938 4.3578 4.3928 6.7951 6.8068 k = 0.3293 0.1901 0.3142 ( 15156 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4232 -43.0321 -43.0321 -7.2416 -7.2402 -6.1472 -6.1472 -0.2739 -0.2670 0.8254 0.9179 1.2596 1.2673 1.7309 1.8853 2.4261 2.5358 3.0588 3.0660 3.3939 3.4541 3.7300 3.7577 3.8694 3.8841 4.2752 4.2788 4.3461 4.3783 6.7787 6.7907 k = 0.3415 0.1971 0.3142 ( 15164 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0321 -43.0321 -7.2267 -7.2254 -6.1361 -6.1361 -0.3227 -0.3169 0.8200 0.9056 1.2530 1.2595 1.7352 1.8825 2.4176 2.5230 3.0573 3.0643 3.3929 3.4516 3.7127 3.7421 3.8479 3.8609 4.2611 4.2621 4.3373 4.3659 6.7639 6.7761 k = 0.3537 0.2042 0.3142 ( 15160 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0321 -43.0321 -7.2124 -7.2111 -6.1254 -6.1254 -0.3690 -0.3641 0.8141 0.8927 1.2461 1.2518 1.7396 1.8783 2.4125 2.5125 3.0562 3.0630 3.3932 3.4503 3.6960 3.7270 3.8278 3.8391 4.2450 4.2466 4.3304 4.3554 6.7508 6.7630 k = 0.3659 0.2112 0.3142 ( 15160 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0321 -43.0321 -7.1988 -7.1976 -6.1152 -6.1152 -0.4124 -0.4084 0.8077 0.8794 1.2393 1.2442 1.7443 1.8733 2.4102 2.5039 3.0554 3.0619 3.3950 3.4504 3.6798 3.7123 3.8089 3.8186 4.2283 4.2319 4.3246 4.3462 6.7394 6.7516 k = 0.3780 0.2183 0.3142 ( 15170 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0321 -43.0321 -7.1860 -7.1848 -6.1057 -6.1057 -0.4529 -0.4496 0.8012 0.8660 1.2326 1.2369 1.7492 1.8675 2.4103 2.4969 3.0549 3.0611 3.3982 3.4519 3.6640 3.6979 3.7914 3.7995 4.2124 4.2176 4.3195 4.3382 6.7298 6.7419 k = 0.3902 0.2253 0.3142 ( 15166 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1740 -7.1730 -6.0969 -6.0969 -0.4901 -0.4874 0.7946 0.8526 1.2261 1.2300 1.7542 1.8612 2.4124 2.4912 3.0547 3.0605 3.4028 3.4548 3.6487 3.6838 3.7752 3.7818 4.1977 4.2039 4.3151 4.3312 6.7220 6.7338 k = 0.4024 0.2323 0.3142 ( 15162 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1631 -7.1621 -6.0888 -6.0888 -0.5239 -0.5217 0.7881 0.8394 1.2201 1.2236 1.7595 1.8547 2.4159 2.4865 3.0548 3.0601 3.4088 3.4590 3.6336 3.6698 3.7604 3.7655 4.1844 4.1911 4.3112 4.3249 6.7159 6.7272 k = 0.4146 0.2394 0.3142 ( 15150 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1532 -7.1523 -6.0815 -6.0815 -0.5542 -0.5524 0.7822 0.8267 1.2147 1.2177 1.7649 1.8482 2.4204 2.4826 3.0550 3.0598 3.4160 3.4644 3.6189 3.6559 3.7471 3.7509 4.1726 4.1794 4.3077 4.3194 6.7114 6.7221 k = 0.4268 0.2464 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5263 -43.4232 -43.4232 -43.0320 -43.0320 -7.1444 -7.1437 -6.0750 -6.0750 -0.5807 -0.5792 0.7768 0.8148 1.2098 1.2124 1.7704 1.8416 2.4257 2.4791 3.0554 3.0596 3.4245 3.4709 3.6044 3.6419 3.7353 3.7380 4.1624 4.1689 4.3048 4.3145 6.7084 6.7181 k = 0.4390 0.2535 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4232 -43.4232 -43.0320 -43.0320 -7.1369 -7.1362 -6.0695 -6.0695 -0.6033 -0.6022 0.7724 0.8038 1.2057 1.2079 1.7760 1.8352 2.4313 2.4759 3.0559 3.0594 3.4341 3.4783 3.5905 3.6278 3.7253 3.7271 4.1537 4.1597 4.3023 4.3103 6.7066 6.7152 k = 0.4512 0.2605 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1306 -7.1301 -6.0649 -6.0649 -0.6220 -0.6211 0.7690 0.7940 1.2023 1.2041 1.7816 1.8288 2.4370 2.4727 3.0564 3.0593 3.4446 3.4860 3.5774 3.6137 3.7169 3.7180 4.1468 4.1519 4.3004 4.3067 6.7058 6.7131 k = 0.4634 0.2676 0.3142 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1256 -7.1252 -6.0613 -6.0613 -0.6366 -0.6360 0.7668 0.7855 1.1997 1.2010 1.7873 1.8226 2.4427 2.4694 3.0570 3.0591 3.4559 3.4930 3.5662 3.5997 3.7104 3.7111 4.1416 4.1456 4.2991 4.3037 6.7058 6.7116 k = 0.4756 0.2746 0.3142 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1221 -7.1218 -6.0587 -6.0587 -0.6471 -0.6467 0.7661 0.7785 1.1979 1.1987 1.7931 1.8165 2.4481 2.4659 3.0575 3.0589 3.4676 3.4972 3.5588 3.5862 3.7057 3.7061 4.1380 4.1408 4.2983 4.3014 6.7064 6.7104 k = 0.4878 0.2816 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1199 -7.1197 -6.0572 -6.0572 -0.6533 -0.6531 0.7668 0.7730 1.1968 1.1973 1.7988 1.8106 2.4531 2.4621 3.0579 3.0587 3.4791 3.4961 3.5579 3.5738 3.7029 3.7031 4.1362 4.1376 4.2981 4.2997 6.7073 6.7093 k = 0.5000 0.2887 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1191 -7.1191 -6.0566 -6.0566 -0.6553 -0.6553 0.7691 0.7691 1.1967 1.1967 1.8047 1.8047 2.4578 2.4578 3.0583 3.0583 3.4893 3.4893 3.5637 3.5637 3.7020 3.7020 4.1361 4.1361 4.2986 4.2986 6.7082 6.7082 k = 0.5000 0.2887 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1191 -7.1191 -6.0566 -6.0566 -0.6553 -0.6553 0.7691 0.7691 1.1967 1.1967 1.8047 1.8047 2.4578 2.4578 3.0583 3.0583 3.4893 3.4893 3.5637 3.5637 3.7020 3.7020 4.1361 4.1361 4.2986 4.2986 6.7082 6.7082 k = 0.4931 0.3007 0.3142 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1190 -7.1188 -6.0565 -6.0565 -0.6570 -0.6518 0.7647 0.7735 1.1865 1.2000 1.7998 1.8120 2.4406 2.4732 3.0429 3.0725 3.4851 3.4920 3.5502 3.5766 3.6871 3.7160 4.1303 4.1400 4.2928 4.3047 6.7131 6.7159 k = 0.4861 0.3127 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1185 -7.1180 -6.0560 -6.0560 -0.6569 -0.6464 0.7600 0.7781 1.1698 1.1967 1.7972 1.8215 2.4218 2.4864 3.0264 3.0851 3.4787 3.4939 3.5375 3.5880 3.6720 3.7284 4.1231 4.1415 4.2878 4.3106 6.7304 6.7358 k = 0.4792 0.3248 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1175 -7.1169 -6.0552 -6.0552 -0.6550 -0.6391 0.7547 0.7829 1.1469 1.1875 1.7968 1.8330 2.4016 2.4972 3.0090 3.0963 3.4688 3.4947 3.5270 3.5962 3.6589 3.7391 4.1149 4.1406 4.2840 4.3160 6.7594 6.7671 k = 0.4722 0.3368 0.3142 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1162 -7.1153 -6.0541 -6.0541 -0.6514 -0.6300 0.7481 0.7881 1.1187 1.1732 1.7981 1.8459 2.3802 2.5054 2.9909 3.1057 3.4550 3.4941 3.5195 3.5988 3.6510 3.7482 4.1062 4.1373 4.2814 4.3205 6.7991 6.8088 k = 0.4653 0.3488 0.3142 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1145 -7.1134 -6.0527 -6.0527 -0.6461 -0.6189 0.7395 0.7935 1.0859 1.1551 1.8005 1.8599 2.3577 2.5103 2.9726 3.1134 3.4379 3.4907 3.5150 3.5947 3.6507 3.7557 4.0975 4.1319 4.2799 4.3240 6.8477 6.8589 k = 0.4583 0.3608 0.3142 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1124 -7.1112 -6.0511 -6.0511 -0.6392 -0.6060 0.7279 0.7990 1.0497 1.1350 1.8036 1.8746 2.3344 2.5118 2.9544 3.1193 3.4188 3.4832 3.5131 3.5879 3.6557 3.7619 4.0890 4.1251 4.2793 4.3263 6.9026 6.9147 k = 0.4514 0.3729 0.3142 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5264 -43.4233 -43.4232 -43.0320 -43.0320 -7.1100 -7.1086 -6.0492 -6.0492 -0.6308 -0.5912 0.7123 0.8042 1.0111 1.1146 1.8068 1.8896 2.3105 2.5093 2.9368 3.1233 3.3987 3.4714 3.5129 3.5822 3.6629 3.7671 4.0811 4.1176 4.2792 4.3275 6.9602 6.9724 k = 0.4444 0.3849 0.3142 ( 15142 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1073 -7.1057 -6.0471 -6.0471 -0.6210 -0.5745 0.6916 0.8082 0.9716 1.0956 1.8095 1.9046 2.2864 2.5026 2.9203 3.1254 3.3785 3.4562 3.5135 3.5790 3.6710 3.7715 4.0740 4.1100 4.2792 4.3274 7.0158 7.0277 k = 0.4375 0.3969 0.3142 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1043 -7.1025 -6.0448 -6.0448 -0.6099 -0.5560 0.6648 0.8092 0.9338 1.0798 1.8113 1.9193 2.2624 2.4915 2.9052 3.1257 3.3588 3.4388 3.5145 3.5779 3.6794 3.7754 4.0680 4.1031 4.2790 4.3261 7.0651 7.0764 k = 0.4306 0.4090 0.3142 ( 15124 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.1011 -7.0991 -6.0423 -6.0423 -0.5976 -0.5357 0.6317 0.8024 0.9028 1.0681 1.8116 1.9337 2.2392 2.4760 2.8920 3.1243 3.3398 3.4206 3.5157 3.5783 3.6880 3.7790 4.0631 4.0971 4.2783 4.3236 7.1058 7.1168 k = 0.4236 0.4210 0.3142 ( 15124 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0978 -7.0956 -6.0397 -6.0397 -0.5843 -0.5136 0.5927 0.7813 0.8856 1.0610 1.8100 1.9474 2.2171 2.4564 2.8807 3.1213 3.3220 3.4024 3.5168 3.5795 3.6967 3.7826 4.0595 4.0924 4.2770 4.3199 7.1385 7.1495 k = 0.4167 0.4330 0.3142 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0943 -7.0919 -6.0370 -6.0370 -0.5702 -0.4898 0.5486 0.7468 0.8815 1.0583 1.8061 1.9605 2.1969 2.4334 2.8713 3.1170 3.3055 3.3849 3.5177 3.5811 3.7055 3.7862 4.0573 4.0894 4.2750 4.3151 7.1652 7.1762 k = 0.4097 0.4450 0.3142 ( 15106 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0907 -7.0882 -6.0343 -6.0342 -0.5555 -0.4643 0.5004 0.7058 0.8842 1.0594 1.7995 1.9726 2.1792 2.4075 2.8636 3.1117 3.2903 3.3685 3.5186 3.5826 3.7144 3.7900 4.0565 4.0879 4.2720 4.3092 7.1875 7.1983 k = 0.4028 0.4571 0.3142 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0871 -7.0845 -6.0315 -6.0315 -0.5405 -0.4373 0.4494 0.6627 0.8898 1.0636 1.7901 1.9838 2.1645 2.3798 2.8574 3.1057 3.2765 3.3534 3.5192 3.5839 3.7232 3.7940 4.0574 4.0882 4.2682 4.3022 7.2065 7.2170 k = 0.3958 0.4691 0.3142 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0835 -7.0808 -6.0288 -6.0288 -0.5254 -0.4088 0.3966 0.6197 0.8964 1.0702 1.7780 1.9939 2.1532 2.3511 2.8523 3.0993 3.2641 3.3398 3.5196 3.5849 3.7320 3.7982 4.0599 4.0900 4.2633 4.2943 7.2228 7.2328 k = 0.3889 0.4811 0.3142 ( 15106 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0801 -7.0772 -6.0261 -6.0261 -0.5106 -0.3789 0.3430 0.5782 0.9034 1.0784 1.7636 2.0029 2.1451 2.3222 2.8483 3.0929 3.2530 3.3276 3.5199 3.5856 3.7404 3.8024 4.0640 4.0934 4.2573 4.2855 7.2367 7.2462 k = 0.3819 0.4932 0.3142 ( 15106 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0768 -7.0738 -6.0236 -6.0236 -0.4964 -0.3477 0.2894 0.5392 0.9103 1.0876 1.7476 2.0108 2.1401 2.2942 2.8450 3.0868 3.2432 3.3170 3.5200 3.5859 3.7484 3.8066 4.0697 4.0980 4.2502 4.2760 7.2484 7.2573 k = 0.3750 0.5052 0.3142 ( 15110 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0737 -7.0706 -6.0213 -6.0213 -0.4832 -0.3155 0.2366 0.5036 0.9166 1.0971 1.7309 2.0176 2.1376 2.2679 2.8423 3.0811 3.2347 3.3078 3.5200 3.5860 3.7558 3.8106 4.0770 4.1039 4.2421 4.2659 7.2579 7.2663 k = 0.3681 0.5172 0.3142 ( 15112 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0709 -7.0678 -6.0192 -6.0192 -0.4715 -0.2827 0.1855 0.4721 0.9223 1.1064 1.7144 2.0236 2.1369 2.2440 2.8401 3.0761 3.2274 3.3001 3.5198 3.5859 3.7625 3.8144 4.0855 4.1106 4.2329 4.2556 7.2654 7.2732 k = 0.3611 0.5292 0.3142 ( 15112 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0685 -7.0653 -6.0174 -6.0174 -0.4615 -0.2497 0.1369 0.4455 0.9270 1.1148 1.6992 2.0287 2.1369 2.2236 2.8383 3.0719 3.2214 3.2939 3.5196 3.5856 3.7683 3.8177 4.0950 4.1179 4.2229 4.2453 7.2709 7.2783 k = 0.3542 0.5413 0.3142 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0665 -7.0633 -6.0159 -6.0159 -0.4536 -0.2175 0.0923 0.4244 0.9308 1.1219 1.6863 2.0330 2.1369 2.2076 2.8370 3.0687 3.2168 3.2890 3.5193 3.5853 3.7731 3.8205 4.1051 4.1253 4.2125 4.2355 7.2746 7.2816 k = 0.3472 0.5533 0.3142 ( 15090 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0650 -7.0617 -6.0148 -6.0147 -0.4480 -0.1882 0.0537 0.4091 0.9335 1.1272 1.6765 2.0364 2.1360 2.1967 2.8361 3.0663 3.2134 3.2856 3.5191 3.5849 3.7767 3.8226 4.1148 4.1318 4.2027 4.2270 7.2767 7.2836 k = 0.3403 0.5653 0.3142 ( 15070 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0641 -7.0608 -6.0140 -6.0140 -0.4448 -0.1657 0.0256 0.3999 0.9350 1.1304 1.6704 2.0386 2.1345 2.1911 2.8355 3.0649 3.2113 3.2835 3.5189 3.5847 3.7790 3.8240 4.1227 4.1363 4.1951 4.2209 7.2777 7.2844 k = 0.3333 0.5774 0.3142 ( 15072 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0604 -6.0138 -6.0138 -0.4438 -0.1569 0.0149 0.3969 0.9355 1.1315 1.6683 2.0394 2.1336 2.1896 2.8353 3.0645 3.2106 3.2828 3.5188 3.5846 3.7798 3.8245 4.1260 4.1379 4.1921 4.2186 7.2779 7.2846 k = 0.3333 0.5774 0.3142 ( 15072 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0604 -6.0138 -6.0138 -0.4438 -0.1569 0.0149 0.3969 0.9355 1.1315 1.6683 2.0394 2.1336 2.1896 2.8353 3.0645 3.2106 3.2828 3.5188 3.5846 3.7798 3.8245 4.1260 4.1379 4.1921 4.2186 7.2779 7.2846 k = 0.3262 0.5651 0.3142 ( 15082 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0641 -7.0608 -6.0141 -6.0141 -0.4447 -0.1655 0.0256 0.4000 0.9351 1.1305 1.6704 2.0386 2.1350 2.1907 2.8355 3.0649 3.2114 3.2835 3.5189 3.5847 3.7789 3.8240 4.1225 4.1362 4.1953 4.2211 7.2779 7.2846 k = 0.3191 0.5528 0.3142 ( 15086 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0652 -7.0619 -6.0149 -6.0149 -0.4471 -0.1859 0.0521 0.4088 0.9337 1.1276 1.6767 2.0360 2.1397 2.1933 2.8361 3.0663 3.2135 3.2857 3.5193 3.5852 3.7761 3.8223 4.1142 4.1313 4.2037 4.2281 7.2781 7.2849 k = 0.3121 0.5405 0.3142 ( 15090 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0672 -7.0639 -6.0163 -6.0163 -0.4505 -0.2103 0.0869 0.4230 0.9317 1.1235 1.6866 2.0322 2.1478 2.1969 2.8370 3.0683 3.2172 3.2892 3.5199 3.5861 3.7714 3.8194 4.1039 4.1239 4.2149 4.2382 7.2792 7.2860 k = 0.3050 0.5282 0.3142 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0699 -7.0667 -6.0184 -6.0184 -0.4541 -0.2348 0.1258 0.4417 0.9294 1.1186 1.6995 2.0276 2.1586 2.2013 2.8383 3.0711 3.2223 3.2941 3.5210 3.5876 3.7645 3.8153 4.0936 4.1155 4.2275 4.2502 7.2817 7.2885 k = 0.2979 0.5159 0.3142 ( 15122 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0736 -7.0705 -6.0212 -6.0211 -0.4573 -0.2572 0.1669 0.4644 0.9269 1.1135 1.7148 2.0225 2.1712 2.2072 2.8399 3.0744 3.2287 3.3003 3.5226 3.5897 3.7555 3.8099 4.0842 4.1072 4.2406 4.2632 7.2860 7.2928 k = 0.2908 0.5036 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0782 -7.0751 -6.0246 -6.0246 -0.4595 -0.2766 0.2093 0.4903 0.9245 1.1088 1.7316 2.0174 2.1835 2.2161 2.8417 3.0782 3.2366 3.3078 3.5247 3.5926 3.7447 3.8035 4.0762 4.0997 4.2537 4.2767 7.2926 7.2993 k = 0.2837 0.4914 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0837 -7.0807 -6.0287 -6.0287 -0.4601 -0.2926 0.2522 0.5188 0.9226 1.1049 1.7493 2.0123 2.1933 2.2299 2.8438 3.0822 3.2456 3.3164 3.5276 3.5966 3.7323 3.7962 4.0699 4.0934 4.2666 4.2904 7.3018 7.3084 k = 0.2766 0.4791 0.3142 ( 15148 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0902 -7.0873 -6.0335 -6.0335 -0.4587 -0.3047 0.2953 0.5493 0.9214 1.1022 1.7670 2.0074 2.2005 2.2486 2.8461 3.0863 3.2557 3.3260 3.5314 3.6015 3.7188 3.7883 4.0653 4.0886 4.2792 4.3038 7.3138 7.3202 k = 0.2695 0.4668 0.3142 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4232 -43.0320 -43.0320 -7.0977 -7.0948 -6.0391 -6.0391 -0.4549 -0.3129 0.3382 0.5812 0.9212 1.1009 1.7839 2.0031 2.2065 2.2707 2.8486 3.0903 3.2668 3.3366 3.5362 3.6077 3.7051 3.7802 4.0625 4.0854 4.2912 4.3169 7.3289 7.3349 k = 0.2624 0.4545 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1061 -7.1033 -6.0453 -6.0453 -0.4484 -0.3170 0.3806 0.6139 0.9223 1.1012 1.7994 1.9995 2.2125 2.2950 2.8514 3.0941 3.2784 3.3479 3.5421 3.6152 3.6919 3.7724 4.0614 4.0841 4.3028 4.3295 7.3470 7.3528 k = 0.2553 0.4422 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1154 -7.1127 -6.0523 -6.0523 -0.4389 -0.3168 0.4224 0.6468 0.9250 1.1031 1.8125 1.9967 2.2193 2.3206 2.8543 3.0974 3.2904 3.3597 3.5494 3.6234 3.6807 3.7655 4.0618 4.0846 4.3137 4.3416 7.3683 7.3737 k = 0.2482 0.4299 0.3142 ( 15118 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1257 -7.1231 -6.0599 -6.0599 -0.4262 -0.3125 0.4633 0.6793 0.9296 1.1066 1.8229 1.9948 2.2273 2.3472 2.8576 3.1002 3.3024 3.3717 3.5583 3.6313 3.6736 3.7600 4.0637 4.0869 4.3241 4.3529 7.3926 7.3976 k = 0.2411 0.4177 0.3142 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4234 -43.4231 -43.0320 -43.0320 -7.1368 -7.1343 -6.0682 -6.0682 -0.4102 -0.3040 0.5031 0.7108 0.9364 1.1117 1.8301 1.9937 2.2372 2.3742 2.8612 3.1022 3.3141 3.3837 3.5688 3.6357 3.6746 3.7565 4.0670 4.0909 4.3338 4.3636 7.4198 7.4245 k = 0.2340 0.4054 0.3142 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1488 -7.1464 -6.0772 -6.0772 -0.3908 -0.2914 0.5415 0.7406 0.9459 1.1181 1.8342 1.9931 2.2490 2.4014 2.8654 3.1033 3.3251 3.3953 3.5810 3.6361 3.6850 3.7557 4.0717 4.0967 4.3429 4.3736 7.4498 7.4542 k = 0.2270 0.3931 0.3142 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1616 -7.1592 -6.0867 -6.0867 -0.3681 -0.2747 0.5784 0.7681 0.9585 1.1257 1.8353 1.9926 2.2632 2.4284 2.8703 3.1036 3.3353 3.4064 3.5947 3.6362 3.7018 3.7582 4.0777 4.1041 4.3514 4.3828 7.4822 7.4863 k = 0.2199 0.3808 0.3142 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1751 -7.1728 -6.0968 -6.0968 -0.3419 -0.2540 0.6136 0.7928 0.9742 1.1343 1.8339 1.9915 2.2797 2.4551 2.8761 3.1030 3.3447 3.4167 3.6095 3.6389 3.7225 3.7648 4.0852 4.1132 4.3594 4.3915 7.5166 7.5206 k = 0.2128 0.3685 0.3142 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7439 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.1893 -7.1871 -6.1075 -6.1075 -0.3124 -0.2294 0.6469 0.8146 0.9932 1.1436 1.8304 1.9896 2.2985 2.4813 2.8830 3.1018 3.3532 3.4262 3.6246 3.6456 3.7461 3.7761 4.0941 4.1239 4.3668 4.3995 7.5527 7.5565 k = 0.2057 0.3562 0.3142 ( 15108 PWs) bands (ev): -75.1066 -75.1066 -44.7440 -44.7438 -43.5264 -43.5263 -43.4233 -43.4231 -43.0320 -43.0320 -7.2041 -7.2019 -6.1186 -6.1186 -0.2796 -0.2012 0.6780 0.8335 1.0150 1.1533 1.8253 1.9865 2.3196 2.5068 2.8911 3.1000 3.3609 3.4349 3.6391 3.6571 3.7717 3.7929 4.1046 4.1363 4.3739 4.4070 7.5899 7.5935 k = 0.1986 0.3440 0.3142 ( 15100 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0320 -43.0320 -7.2194 -7.2173 -6.1301 -6.1301 -0.2437 -0.1693 0.7067 0.8502 1.0389 1.1632 1.8189 1.9820 2.3429 2.5318 2.9005 3.0979 3.3683 3.4430 3.6533 3.6724 3.7986 3.8157 4.1165 4.1503 4.3806 4.4142 7.6274 7.6308 k = 0.1915 0.3317 0.3142 ( 15106 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0320 -43.0320 -7.2352 -7.2332 -6.1420 -6.1419 -0.2048 -0.1341 0.7326 0.8654 1.0642 1.1733 1.8115 1.9761 2.3681 2.5563 2.9112 3.0958 3.3754 3.4508 3.6687 3.6899 3.8271 3.8437 4.1301 4.1660 4.3873 4.4211 7.6643 7.6674 k = 0.1844 0.3194 0.3142 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2513 -7.2494 -6.1541 -6.1541 -0.1630 -0.0957 0.7555 0.8796 1.0901 1.1832 1.8032 1.9686 2.3953 2.5804 2.9233 3.0939 3.3826 3.4585 3.6858 3.7085 3.8578 3.8753 4.1453 4.1833 4.3940 4.4279 7.6989 7.7025 k = 0.1773 0.3071 0.3142 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2677 -7.2658 -6.1665 -6.1665 -0.1187 -0.0544 0.7751 0.8934 1.1159 1.1930 1.7941 1.9597 2.4241 2.6044 2.9365 3.0925 3.3902 3.4664 3.7047 3.7281 3.8912 3.9093 4.1621 4.2019 4.4012 4.4350 7.7274 7.7344 k = 0.1702 0.2948 0.3142 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4232 -43.4231 -43.0321 -43.0321 -7.2844 -7.2825 -6.1791 -6.1791 -0.0719 -0.0103 0.7913 0.9073 1.1411 1.2026 1.7844 1.9494 2.4546 2.6285 2.9507 3.0916 3.3985 3.4747 3.7253 3.7486 3.9267 3.9449 4.1804 4.2216 4.4093 4.4425 7.7376 7.7555 k = 0.1631 0.2825 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3011 -7.2993 -6.1918 -6.1918 -0.0231 0.0362 0.8042 0.9213 1.1649 1.2125 1.7740 1.9378 2.4866 2.6529 2.9657 3.0914 3.4077 3.4837 3.7472 3.7701 3.9639 3.9816 4.2000 4.2418 4.4191 4.4510 7.7060 7.7328 k = 0.1560 0.2702 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3179 -7.3161 -6.2046 -6.2045 0.0275 0.0848 0.8140 0.9354 1.1867 1.2229 1.7629 1.9250 2.5199 2.6778 2.9812 3.0920 3.4180 3.4936 3.7704 3.7925 4.0021 4.0194 4.2205 4.2615 4.4313 4.4609 7.6524 7.6791 k = 0.1489 0.2580 0.3142 ( 15150 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3346 -7.3329 -6.2173 -6.2172 0.0795 0.1354 0.8211 0.9493 1.2051 1.2351 1.7513 1.9111 2.5543 2.7032 2.9970 3.0934 3.4299 3.5046 3.7945 3.8158 4.0407 4.0581 4.2414 4.2799 4.4470 4.4730 7.5923 7.6168 k = 0.1418 0.2457 0.3142 ( 15154 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3511 -7.3495 -6.2299 -6.2299 0.1325 0.1876 0.8259 0.9629 1.2192 1.2498 1.7392 1.8962 2.5894 2.7290 3.0127 3.0956 3.4434 3.5170 3.8195 3.8397 4.0793 4.0978 4.2620 4.2957 4.4671 4.4879 7.5284 7.5506 k = 0.1348 0.2334 0.3142 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4231 -43.4230 -43.0321 -43.0321 -7.3674 -7.3658 -6.2424 -6.2423 0.1860 0.2410 0.8291 0.9762 1.2298 1.2661 1.7266 1.8805 2.6250 2.7551 3.0283 3.0984 3.4588 3.5310 3.8452 3.8642 4.1176 4.1385 4.2816 4.3085 4.4919 4.5063 7.4617 7.4816 k = 0.1277 0.2211 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5263 -43.4230 -43.4230 -43.0321 -43.0321 -7.3834 -7.3819 -6.2546 -6.2546 0.2395 0.2953 0.8308 0.9892 1.2382 1.2826 1.7137 1.8641 2.6606 2.7814 3.0434 3.1019 3.4764 3.5466 3.8714 3.8891 4.1554 4.1802 4.2997 4.3181 4.5210 4.5289 7.3924 7.4101 k = 0.1206 0.2088 0.3142 ( 15124 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7438 -43.5264 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.3990 -7.3975 -6.2666 -6.2666 0.2924 0.3501 0.8315 1.0022 1.2454 1.2983 1.7004 1.8471 2.6958 2.8074 3.0578 3.1059 3.4963 3.5640 3.8981 3.9143 4.1923 4.2228 4.3165 4.3250 4.5530 4.5563 7.3207 7.3366 k = 0.1135 0.1965 0.3142 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4141 -7.4127 -6.2782 -6.2782 0.3439 0.4051 0.8317 1.0156 1.2517 1.3128 1.6870 1.8295 2.7302 2.8329 3.0715 3.1103 3.5186 3.5833 3.9251 3.9396 4.2273 4.2664 4.3291 4.3339 4.5846 4.5903 7.2466 7.2609 k = 0.1064 0.1843 0.3142 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4230 -43.0321 -43.0321 -7.4287 -7.4274 -6.2895 -6.2894 0.3934 0.4596 0.8317 1.0298 1.2572 1.3259 1.6734 1.8116 2.7634 2.8574 3.0843 3.1151 3.5432 3.6044 3.9524 3.9649 4.2584 4.3111 4.3322 4.3531 4.6178 4.6274 7.1702 7.1832 k = 0.0993 0.1720 0.3142 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4229 -43.0321 -43.0321 -7.4427 -7.4414 -6.3003 -6.3002 0.4402 0.5129 0.8323 1.0455 1.2619 1.3377 1.6597 1.7932 2.7949 2.8806 3.0962 3.1202 3.5701 3.6271 3.9799 3.9903 4.2825 4.3339 4.3570 4.3788 4.6529 4.6653 7.0916 7.1037 k = 0.0922 0.1597 0.3142 ( 15154 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7438 -43.5263 -43.5262 -43.4230 -43.4229 -43.0321 -43.0321 -7.4560 -7.4548 -6.3105 -6.3105 0.4835 0.5640 0.8341 1.0630 1.2657 1.3482 1.6459 1.7745 2.8245 2.9023 3.1070 3.1253 3.5988 3.6513 4.0076 4.0158 4.2984 4.3345 4.4040 4.4124 4.6890 4.7033 7.0108 7.0223 k = 0.0851 0.1474 0.3142 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4685 -7.4674 -6.3203 -6.3202 0.5229 0.6112 0.8387 1.0830 1.2686 1.3575 1.6321 1.7554 2.8520 2.9221 3.1168 3.1306 3.6288 3.6764 4.0352 4.0415 4.3081 4.3344 4.4517 4.4531 4.7255 4.7408 6.9280 6.9393 k = 0.0780 0.1351 0.3142 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4803 -7.4792 -6.3294 -6.3293 0.5578 0.6524 0.8479 1.1056 1.2706 1.3658 1.6183 1.7359 2.8771 2.9400 3.1256 3.1358 3.6597 3.7019 4.0625 4.0676 4.3139 4.3338 4.4965 4.5019 4.7617 4.7773 6.8436 6.8550 k = 0.0709 0.1228 0.3142 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.4912 -7.4902 -6.3378 -6.3378 0.5881 0.6849 0.8642 1.1309 1.2716 1.3734 1.6045 1.7159 2.8998 2.9558 3.1335 3.1409 3.6905 3.7274 4.0893 4.0943 4.3174 4.3326 4.5435 4.5522 4.7971 4.8125 6.7582 6.7698 k = 0.0638 0.1106 0.3142 ( 15114 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5012 -7.5003 -6.3456 -6.3456 0.6139 0.7070 0.8889 1.1586 1.2717 1.3805 1.5905 1.6955 2.9202 2.9695 3.1405 3.1458 3.7206 3.7520 4.1155 4.1214 4.3193 4.3311 4.5921 4.6028 4.8315 4.8461 6.6724 6.6842 k = 0.0567 0.0983 0.3142 ( 15106 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5103 -7.5095 -6.3527 -6.3527 0.6353 0.7199 0.9206 1.1876 1.2715 1.3873 1.5764 1.6744 2.9382 2.9812 3.1467 3.1503 3.7491 3.7753 4.1412 4.1483 4.3203 4.3293 4.6412 4.6530 4.8647 4.8780 6.5872 6.5993 k = 0.0496 0.0860 0.3142 ( 15112 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5184 -7.5176 -6.3590 -6.3590 0.6529 0.7261 0.9565 1.2154 1.2729 1.3941 1.5621 1.6526 2.9540 2.9909 3.1521 3.1545 3.7754 3.7967 4.1666 4.1744 4.3205 4.3272 4.6895 4.7016 4.8968 4.9085 6.5039 6.5160 k = 0.0426 0.0737 0.3142 ( 15124 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5254 -7.5248 -6.3645 -6.3645 0.6673 0.7284 0.9935 1.2343 1.2829 1.4013 1.5477 1.6299 2.9676 2.9987 3.1568 3.1583 3.7988 3.8157 4.1911 4.1992 4.3200 4.3248 4.7357 4.7472 4.9281 4.9376 6.4240 6.4358 k = 0.0355 0.0614 0.3142 ( 15112 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5315 -7.5309 -6.3693 -6.3692 0.6789 0.7283 1.0299 1.2376 1.3073 1.4090 1.5331 1.6062 2.9793 3.0047 3.1607 3.1616 3.8191 3.8321 4.2145 4.2221 4.3189 4.3221 4.7777 4.7880 4.9587 4.9658 6.3494 6.3606 k = 0.0284 0.0491 0.3142 ( 15104 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5364 -7.5360 -6.3732 -6.3731 0.6884 0.7267 1.0645 1.2320 1.3387 1.4174 1.5185 1.5815 2.9891 3.0091 3.1639 3.1644 3.8359 3.8456 4.2362 4.2427 4.3170 4.3190 4.8138 4.8221 4.9884 4.9929 6.2825 6.2926 k = 0.0213 0.0369 0.3142 ( 15100 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4229 -43.4229 -43.0321 -43.0321 -7.5403 -7.5400 -6.3762 -6.3762 0.6963 0.7242 1.0965 1.2222 1.3716 1.4267 1.5039 1.5556 2.9970 3.0119 3.1664 3.1666 3.8491 3.8559 4.2556 4.2605 4.3140 4.3155 4.8425 4.8485 5.0159 5.0182 6.2260 6.2344 k = 0.0142 0.0246 0.3142 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7438 -44.7437 -43.5263 -43.5262 -43.4228 -43.4228 -43.0321 -43.0321 -7.5430 -7.5428 -6.3784 -6.3784 0.7028 0.7211 1.1255 1.2091 1.4045 1.4369 1.4898 1.5284 3.0034 3.0132 3.1682 3.1682 3.8588 3.8631 4.2724 4.2754 4.3098 4.3111 4.8630 4.8669 5.0387 5.0395 6.1830 6.1891 k = 0.0071 0.0123 0.3142 ( 15116 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5447 -7.5446 -6.3797 -6.3797 0.7084 0.7174 1.1513 1.1930 1.4359 1.4478 1.4767 1.5003 3.0081 3.0130 3.1692 3.1692 3.8650 3.8671 4.2861 4.2874 4.3042 4.3051 4.8755 4.8773 5.0540 5.0541 6.1564 6.1596 k = 0.0000 0.0000 0.3142 ( 15104 PWs) bands (ev): -75.1066 -75.1066 -44.7437 -44.7437 -43.5263 -43.5263 -43.4228 -43.4228 -43.0321 -43.0321 -7.5452 -7.5452 -6.3801 -6.3801 0.7132 0.7132 1.1738 1.1738 1.4563 1.4563 1.4743 1.4743 3.0113 3.0113 3.1696 3.1696 3.8677 3.8677 4.2961 4.2961 4.2978 4.2978 4.8802 4.8802 5.0593 5.0593 6.1484 6.1484 k = 0.5000 0.2887 0.3142 ( 15140 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1191 -7.1191 -6.0566 -6.0566 -0.6553 -0.6553 0.7691 0.7691 1.1967 1.1967 1.8047 1.8047 2.4578 2.4578 3.0583 3.0583 3.4893 3.4893 3.5637 3.5637 3.7020 3.7020 4.1361 4.1361 4.2986 4.2986 6.7082 6.7082 k = 0.5000 0.2887 0.3000 ( 15132 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1192 -7.1191 -6.0567 -6.0566 -0.6556 -0.6534 0.7642 0.7763 1.1954 1.1983 1.7946 1.8125 2.4499 2.4618 3.0574 3.0586 3.4853 3.4935 3.5612 3.5657 3.6981 3.7038 4.1362 4.1387 4.2957 4.2976 6.6992 6.7002 k = 0.5000 0.2887 0.2857 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1193 -7.1193 -6.0567 -6.0565 -0.6540 -0.6497 0.7618 0.7861 1.1944 1.2002 1.7823 1.8182 2.4380 2.4618 3.0556 3.0581 3.4817 3.4977 3.5583 3.5672 3.6922 3.7034 4.1391 4.1435 4.2894 4.2928 6.6770 6.6780 k = 0.5000 0.2887 0.2714 ( 15136 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1196 -7.1195 -6.0566 -6.0564 -0.6508 -0.6443 0.7617 0.7983 1.1938 1.2025 1.7677 1.8219 2.4222 2.4580 3.0533 3.0569 3.4784 3.5018 3.5552 3.5681 3.6848 3.7008 4.1444 4.1493 4.2806 4.2845 6.6484 6.6485 k = 0.5000 0.2887 0.2571 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1200 -7.1198 -6.0566 -6.0564 -0.6458 -0.6373 0.7638 0.8129 1.1934 1.2051 1.7508 1.8238 2.4027 2.4507 3.0503 3.0551 3.4756 3.5055 3.5519 3.5682 3.6763 3.6963 4.1510 4.1540 4.2713 4.2737 6.6179 6.6192 k = 0.5000 0.2887 0.2428 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1204 -7.1203 -6.0566 -6.0563 -0.6392 -0.6289 0.7680 0.8299 1.1934 1.2082 1.7316 1.8238 2.3797 2.4401 3.0469 3.0529 3.4732 3.5084 3.5486 3.5675 3.6671 3.6902 4.1542 4.1567 4.2624 4.2647 6.5900 6.5931 k = 0.5000 0.2887 0.2285 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1209 -7.1208 -6.0565 -6.0561 -0.6312 -0.6190 0.7742 0.8491 1.1939 1.2117 1.7101 1.8222 2.3537 2.4265 3.0432 3.0502 3.4712 3.5103 3.5454 3.5660 3.6577 3.6829 4.1465 4.1573 4.2549 4.2644 6.5671 6.5720 k = 0.5000 0.2887 0.2143 ( 15152 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1215 -7.1214 -6.0564 -6.0560 -0.6217 -0.6079 0.7821 0.8703 1.1948 1.2157 1.6867 1.8191 2.3248 2.4102 3.0393 3.0473 3.4694 3.5108 3.5425 3.5636 3.6483 3.6747 4.1299 4.1484 4.2555 4.2714 6.5502 6.5568 k = 0.5000 0.2887 0.2000 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1222 -7.1220 -6.0563 -6.0559 -0.6110 -0.5957 0.7916 0.8932 1.1963 1.2201 1.6613 1.8147 2.2937 2.3915 3.0354 3.0442 3.4678 3.5097 3.5398 3.5603 3.6394 3.6660 4.1068 4.1298 4.2647 4.2839 6.5396 6.5476 k = 0.5000 0.2887 0.1857 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1229 -7.1227 -6.0562 -6.0558 -0.5992 -0.5827 0.8025 0.9174 1.1987 1.2249 1.6344 1.8091 2.2607 2.3707 3.0315 3.0409 3.4662 3.5072 3.5371 3.5562 3.6310 3.6569 4.0796 4.1050 4.2795 4.2996 6.5349 6.5441 k = 0.5000 0.2887 0.1714 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1236 -7.1234 -6.0561 -6.0556 -0.5865 -0.5691 0.8146 0.9424 1.2023 1.2302 1.6063 1.8025 2.2265 2.3482 3.0277 3.0376 3.4646 3.5032 3.5342 3.5512 3.6234 3.6478 4.0506 4.0770 4.2973 4.3171 6.5356 6.5458 k = 0.5000 0.2887 0.1571 ( 15130 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1243 -7.1241 -6.0560 -6.0555 -0.5731 -0.5551 0.8278 0.9674 1.2074 1.2358 1.5774 1.7950 2.1916 2.3241 3.0242 3.0344 3.4627 3.4982 3.5307 3.5456 3.6167 3.6387 4.0213 4.0479 4.3163 4.3353 6.5409 6.5517 k = 0.5000 0.2887 0.1428 ( 15128 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1250 -7.1248 -6.0558 -6.0554 -0.5593 -0.5410 0.8418 0.9914 1.2148 1.2417 1.5484 1.7865 2.1567 2.2988 3.0210 3.0312 3.4605 3.4922 3.5267 3.5393 3.6107 3.6299 3.9929 4.0191 4.3358 4.3535 6.5499 6.5610 k = 0.5000 0.2887 0.1286 ( 15158 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1257 -7.1255 -6.0557 -6.0553 -0.5454 -0.5271 0.8565 1.0129 1.2253 1.2479 1.5200 1.7769 2.1228 2.2724 3.0181 3.0281 3.4578 3.4853 3.5223 3.5326 3.6054 3.6214 3.9664 3.9917 4.3551 4.3713 6.5616 6.5726 k = 0.5000 0.2887 0.1143 ( 15146 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1264 -7.1262 -6.0556 -6.0552 -0.5315 -0.5138 0.8718 1.0306 1.2395 1.2540 1.4930 1.7658 2.0909 2.2452 3.0156 3.0252 3.4545 3.4777 3.5176 3.5259 3.6008 3.6136 3.9426 3.9665 4.3736 4.3882 6.5749 6.5856 k = 0.5000 0.2887 0.1000 ( 15134 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1270 -7.1269 -6.0555 -6.0551 -0.5181 -0.5012 0.8876 1.0433 1.2574 1.2601 1.4689 1.7526 2.0624 2.2175 3.0136 3.0225 3.4505 3.4694 3.5129 3.5193 3.5968 3.6065 3.9218 3.9438 4.3909 4.4038 6.5890 6.5991 k = 0.5000 0.2887 0.0857 ( 15122 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1276 -7.1274 -6.0553 -6.0550 -0.5054 -0.4898 0.9038 1.0505 1.2661 1.2778 1.4496 1.7362 2.0388 2.1895 3.0119 3.0199 3.4459 3.4607 3.5086 3.5132 3.5933 3.6003 3.9044 3.9241 4.4068 4.4179 6.6030 6.6122 k = 0.5000 0.2887 0.0714 ( 15120 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1281 -7.1280 -6.0552 -6.0549 -0.4936 -0.4799 0.9203 1.0523 1.2718 1.2972 1.4383 1.7158 2.0215 2.1615 3.0106 3.0176 3.4408 3.4521 3.5048 3.5080 3.5902 3.5951 3.8903 3.9074 4.4209 4.4301 6.6162 6.6243 k = 0.5000 0.2887 0.0571 ( 15120 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1285 -7.1284 -6.0551 -6.0549 -0.4833 -0.4717 0.9371 1.0493 1.2773 1.3104 1.4398 1.6907 2.0116 2.1340 3.0098 3.0156 3.4356 3.4439 3.5017 3.5037 3.5877 3.5909 3.8796 3.8936 4.4329 4.4403 6.6280 6.6347 k = 0.5000 0.2887 0.0429 ( 15156 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1289 -7.1288 -6.0550 -6.0548 -0.4744 -0.4654 0.9541 1.0422 1.2826 1.3143 1.4562 1.6612 2.0092 2.1075 3.0093 3.0138 3.4310 3.4367 3.4992 3.5004 3.5858 3.5877 3.8719 3.8827 4.4427 4.4483 6.6378 6.6430 k = 0.5000 0.2887 0.0286 ( 15144 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1291 -7.1290 -6.0550 -6.0548 -0.4675 -0.4613 0.9711 1.0318 1.2880 1.3114 1.4841 1.6279 2.0138 2.0826 3.0092 3.0123 3.4274 3.4309 3.4974 3.4981 3.5844 3.5854 3.8672 3.8745 4.4501 4.4538 6.6454 6.6489 k = 0.5000 0.2887 0.0143 ( 15138 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1292 -7.1292 -6.0549 -6.0548 -0.4626 -0.4594 0.9878 1.0188 1.2936 1.3057 1.5182 1.5920 2.0245 2.0599 3.0095 3.0111 3.4253 3.4270 3.4964 3.4967 3.5836 3.5840 3.8652 3.8689 4.4549 4.4568 6.6503 6.6521 k = 0.5000 0.2887-0.0000 ( 15126 PWs) bands (ev): -75.1066 -75.1066 -44.7439 -44.7439 -43.5264 -43.5264 -43.4233 -43.4233 -43.0320 -43.0320 -7.1293 -7.1293 -6.0549 -6.0549 -0.4599 -0.4599 1.0039 1.0039 1.2995 1.2995 1.5549 1.5549 2.0402 2.0402 3.0102 3.0102 3.4252 3.4252 3.4962 3.4962 3.5834 3.5834 3.8658 3.8658 4.4572 4.4572 6.6526 6.6526 k = 0.3333 0.5774-0.0000 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0659 -7.0625 -6.0280 -6.0275 -0.1539 -0.0060 0.2212 0.3500 1.4926 1.5547 1.5592 1.6348 2.0715 2.1184 2.1956 2.2860 3.2213 3.2951 3.4547 3.4573 3.7048 3.7686 3.8800 3.9290 3.9790 4.0360 7.4049 7.4240 k = 0.3333 0.5774 0.0143 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0658 -7.0624 -6.0279 -6.0274 -0.1557 -0.0059 0.2186 0.3502 1.4799 1.5551 1.5562 1.6466 2.0720 2.1223 2.1952 2.2915 3.2213 3.2951 3.4574 3.4601 3.7042 3.7677 3.8794 3.9283 3.9799 4.0365 7.4088 7.4280 k = 0.3333 0.5774 0.0286 ( 15102 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0658 -7.0624 -6.0277 -6.0272 -0.1608 -0.0056 0.2111 0.3510 1.4498 1.5433 1.5607 1.6738 2.0734 2.1339 2.1942 2.3078 3.2211 3.2949 3.4655 3.4684 3.7023 3.7654 3.8778 3.9263 3.9824 4.0381 7.4204 7.4399 k = 0.3333 0.5774 0.0429 ( 15117 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0658 -7.0624 -6.0273 -6.0269 -0.1693 -0.0051 0.1989 0.3522 1.4125 1.5249 1.5678 1.7064 2.0759 2.1529 2.1925 2.3335 3.2208 3.2946 3.4789 3.4821 3.6992 3.7615 3.8750 3.9231 3.9865 4.0406 7.4396 7.4596 k = 0.3333 0.5774 0.0571 ( 15120 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0657 -7.0623 -6.0268 -6.0264 -0.1807 -0.0044 0.1826 0.3539 1.3725 1.5013 1.5770 1.7400 2.0794 2.1789 2.1903 2.3671 3.2203 3.2941 3.4976 3.5013 3.6949 3.7562 3.8713 3.9188 3.9919 4.0441 7.4663 7.4870 k = 0.3333 0.5774 0.0714 ( 15135 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0656 -7.0622 -6.0262 -6.0258 -0.1948 -0.0035 0.1627 0.3559 1.3319 1.4740 1.5875 1.7728 2.0839 2.1877 2.2110 2.4069 3.2198 3.2936 3.5212 3.5259 3.6898 3.7496 3.8667 3.9136 3.9984 4.0484 7.5003 7.5218 k = 0.3333 0.5774 0.0857 ( 15129 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0655 -7.0621 -6.0255 -6.0251 -0.2112 -0.0024 0.1401 0.3582 1.2917 1.4444 1.5988 1.8040 2.0894 2.1846 2.2484 2.4514 3.2192 3.2930 3.5493 3.5557 3.6841 3.7420 3.8614 3.9077 4.0059 4.0535 7.5413 7.5639 k = 0.3333 0.5774 0.1000 ( 15132 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0654 -7.0620 -6.0247 -6.0244 -0.2293 -0.0012 0.1154 0.3609 1.2524 1.4136 1.6102 1.8333 2.0959 2.1811 2.2902 2.4994 3.2185 3.2923 3.5808 3.5904 3.6788 3.7333 3.8556 3.9013 4.0141 4.0593 7.5890 7.6129 k = 0.3333 0.5774 0.1143 ( 15129 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0652 -7.0619 -6.0238 -6.0235 -0.2487 0.0001 0.0893 0.3637 1.2145 1.3825 1.6210 1.8606 2.1032 2.1773 2.3353 2.5497 3.2177 3.2916 3.6120 3.6298 3.6772 3.7238 3.8494 3.8943 4.0230 4.0657 7.6430 7.6684 k = 0.3333 0.5774 0.1286 ( 15144 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0651 -7.0617 -6.0229 -6.0226 -0.2690 0.0015 0.0624 0.3668 1.1783 1.3518 1.6310 1.8859 2.1113 2.1732 2.3829 2.6013 3.2169 3.2908 3.6307 3.6733 3.6914 3.7135 3.8432 3.8871 4.0323 4.0725 7.7028 7.7301 k = 0.3333 0.5774 0.1428 ( 15126 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0650 -7.0616 -6.0219 -6.0216 -0.2897 0.0030 0.0354 0.3700 1.1441 1.3220 1.6398 1.9093 2.1198 2.1690 2.4318 2.6535 3.2160 3.2899 3.6303 3.7026 3.7200 3.7274 3.8374 3.8797 4.0421 4.0796 7.7678 7.7975 k = 0.3333 0.5774 0.1571 ( 15153 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0648 -7.0615 -6.0209 -6.0207 -0.3103 0.0045 0.0088 0.3733 1.1121 1.2936 1.6472 1.9306 2.1286 2.1646 2.4814 2.7054 3.2151 3.2891 3.6223 3.6910 3.7675 3.7731 3.8340 3.8724 4.0520 4.0870 7.8369 7.8701 k = 0.3333 0.5774 0.1714 ( 15135 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0647 -7.0613 -6.0199 -6.0197 -0.3305 -0.0169 0.0060 0.3766 1.0824 1.2669 1.6532 1.9499 2.1375 2.1603 2.5306 2.7564 3.2143 3.2882 3.6118 3.6790 3.8026 3.8229 3.8457 3.8652 4.0620 4.0945 7.9062 7.9473 k = 0.3333 0.5774 0.1857 ( 15114 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0645 -7.0612 -6.0189 -6.0187 -0.3498 -0.0413 0.0074 0.3798 1.0552 1.2422 1.6580 1.9673 2.1463 2.1560 2.5788 2.8058 3.2135 3.2873 3.6000 3.6667 3.8072 3.8583 3.8745 3.8895 4.0719 4.1020 7.8471 7.8929 k = 0.3333 0.5774 0.2000 ( 15114 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0644 -7.0610 -6.0180 -6.0178 -0.3680 -0.0641 0.0088 0.3830 1.0305 1.2196 1.6616 1.9828 2.1518 2.1546 2.6251 2.8530 3.2127 3.2865 3.5877 3.6542 3.8035 3.8517 3.9265 3.9422 4.0815 4.1093 7.7436 7.7861 k = 0.3333 0.5774 0.2143 ( 15129 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0642 -7.0609 -6.0171 -6.0170 -0.3847 -0.0848 0.0101 0.3859 1.0086 1.1994 1.6641 1.9963 2.1479 2.1623 2.6687 2.8972 3.2120 3.2857 3.5752 3.6416 3.7987 3.8457 3.9773 3.9955 4.0907 4.1164 7.6460 7.6813 k = 0.3333 0.5774 0.2285 ( 15138 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0641 -7.0608 -6.0163 -6.0162 -0.3998 -0.1033 0.0113 0.3886 0.9894 1.1816 1.6659 2.0079 2.1444 2.1692 2.7090 2.9377 3.2115 3.2850 3.5629 3.6293 3.7941 3.8403 4.0256 4.0468 4.0992 4.1233 7.5562 7.5844 k = 0.3333 0.5774 0.2428 ( 15138 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0640 -7.0607 -6.0155 -6.0155 -0.4128 -0.1193 0.0124 0.3910 0.9730 1.1665 1.6670 2.0176 2.1412 2.1753 2.7451 2.9740 3.2110 3.2844 3.5512 3.6176 3.7899 3.8356 4.0693 4.0943 4.1069 4.1301 7.4761 7.4981 k = 0.3333 0.5774 0.2571 ( 15114 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0639 -7.0606 -6.0149 -6.0149 -0.4238 -0.1327 0.0133 0.3931 0.9596 1.1540 1.6677 2.0255 2.1386 2.1803 2.7761 3.0051 3.2108 3.2838 3.5406 3.6069 3.7864 3.8317 4.1054 4.1135 4.1362 4.1383 7.4075 7.4242 k = 0.3333 0.5774 0.2714 ( 15120 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0605 -6.0144 -6.0144 -0.4324 -0.1432 0.0140 0.3947 0.9491 1.1442 1.6680 2.0316 2.1364 2.1843 2.8013 3.0304 3.2106 3.2834 3.5316 3.5977 3.7835 3.8286 4.1188 4.1265 4.1537 4.1709 7.3521 7.3645 k = 0.3333 0.5774 0.2857 ( 15108 PWs) bands (ev): -75.1066 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0605 -6.0141 -6.0141 -0.4387 -0.1508 0.0145 0.3959 0.9416 1.1371 1.6682 2.0360 2.1348 2.1872 2.8200 3.0491 3.2106 3.2831 3.5247 3.5906 3.7815 3.8263 4.1228 4.1340 4.1734 4.1969 7.3113 7.3206 k = 0.3333 0.5774 0.3000 ( 15087 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0605 -6.0139 -6.0139 -0.4425 -0.1554 0.0148 0.3967 0.9370 1.1329 1.6683 2.0386 2.1339 2.1890 2.8314 3.0606 3.2106 3.2829 3.5203 3.5861 3.7802 3.8249 4.1252 4.1370 4.1873 4.2131 7.2864 7.2936 k = 0.3333 0.5774 0.3142 ( 15072 PWs) bands (ev): -75.1065 -75.1065 -44.7440 -44.7439 -43.5264 -43.5263 -43.4235 -43.4232 -43.0320 -43.0320 -7.0638 -7.0604 -6.0138 -6.0138 -0.4438 -0.1569 0.0149 0.3969 0.9355 1.1315 1.6683 2.0394 2.1336 2.1896 2.8353 3.0645 3.2106 3.2828 3.5188 3.5846 3.7798 3.8245 4.1260 4.1379 4.1921 4.2186 7.2779 7.2846 Writing output data file LiMnTe2.save init_run : 2.94s CPU 10.51s WALL ( 1 calls) electrons : 602.87s CPU 609.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.65s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 602.83s CPU 609.12s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.19s CPU 0.59s WALL ( 1 calls) newd : 0.57s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.23s WALL ( 299 calls) cegterg : 551.17s CPU 554.32s WALL ( 513 calls) Called by sum_band: Called by *egterg: h_psi : 385.99s CPU 391.21s WALL ( 7940 calls) s_psi : 14.30s CPU 14.63s WALL ( 7940 calls) g_psi : 1.37s CPU 1.35s WALL ( 7128 calls) cdiaghg : 79.49s CPU 78.43s WALL ( 7427 calls) cegterg:over : 47.52s CPU 45.05s WALL ( 7128 calls) cegterg:upda : 18.14s CPU 20.63s WALL ( 7128 calls) cegterg:last : 14.79s CPU 15.49s WALL ( 1577 calls) Called by h_psi: h_psi:vloc : 347.29s CPU 350.99s WALL ( 7940 calls) h_psi:vnl : 37.96s CPU 38.85s WALL ( 7940 calls) add_vuspsi : 11.84s CPU 14.05s WALL ( 7940 calls) General routines calbec : 26.09s CPU 24.71s WALL ( 7940 calls) fft : 0.49s CPU 1.30s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 318.43s CPU 319.69s WALL ( 718844 calls) interpolate : 0.16s CPU 0.16s WALL ( 4 calls) davcio : 0.05s CPU 2.43s WALL ( 598 calls) Parallel routines fft_scatter : 190.15s CPU 188.91s WALL ( 718867 calls) PWSCF : 11m20.58s CPU 14m 9.03s WALL This run was terminated on: 0:25:42 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=