Program PWSCF v.5.1.1 starts on 11Oct2015 at 14:49:21 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 450 76 Max 55 20 7 2109 466 80 Sum 2617 949 293 101073 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5668 a.u. unit-cell volume = 433.2500 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.566841 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002845 celldm(5)= 0.002845 celldm(6)= 0.002845 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002845 0.999996 0.000000 ) a(3) = ( 0.002845 0.002837 0.999992 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002845 -0.002837 ) b(2) = ( 0.000000 1.000004 -0.002837 ) b(3) = ( 0.000000 0.000000 1.000008 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000356 -0.0000355), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000711 -0.0000709), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001067 -0.0001064), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001422 -0.0001418), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001778 -0.0001773), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002134 -0.0002128), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002489 -0.0002482), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002845 -0.0002837), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003201 -0.0003191), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003556 -0.0003546), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003912 -0.0003901), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004267 -0.0004255), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004623 -0.0004610), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004979 -0.0004964), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005334 -0.0005319), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005690 -0.0005674), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0006045 -0.0006028), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006401 -0.0006383), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006757 -0.0006737), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0007112 -0.0007092), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007468 -0.0007447), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007823 -0.0007801), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0008179 -0.0008156), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008535 -0.0008511), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008890 -0.0008865), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0009246 -0.0009220), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009602 -0.0009574), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009957 -0.0009929), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0010313 -0.0010284), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010668 -0.0010638), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0011024 -0.0010993), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0011380 -0.0011347), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011735 -0.0011702), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0012091 -0.0012057), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0012446 -0.0012411), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012802 -0.0012766), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0013158 -0.0013120), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0013513 -0.0013475), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013869 -0.0013830), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0014224 -0.0014184), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0014224 -0.0014184), wk = 0.0030488 k( 43) = ( 0.5000000 0.0074556 -0.0103217), wk = 0.0030488 k( 44) = ( 0.5000000 0.0163337 -0.0192250), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252118 -0.0281284), wk = 0.0030488 k( 46) = ( 0.5000000 0.0340899 -0.0370317), wk = 0.0030488 k( 47) = ( 0.5000000 0.0429680 -0.0459350), wk = 0.0030488 k( 48) = ( 0.5000000 0.0518461 -0.0548383), wk = 0.0030488 k( 49) = ( 0.5000000 0.0607242 -0.0637416), wk = 0.0030488 k( 50) = ( 0.5000000 0.0696023 -0.0726449), wk = 0.0030488 k( 51) = ( 0.5000000 0.0784804 -0.0815483), wk = 0.0030488 k( 52) = ( 0.5000000 0.0873585 -0.0904516), wk = 0.0030488 k( 53) = ( 0.5000000 0.0962366 -0.0993549), wk = 0.0030488 k( 54) = ( 0.5000000 0.1051147 -0.1082582), wk = 0.0030488 k( 55) = ( 0.5000000 0.1139928 -0.1171615), wk = 0.0030488 k( 56) = ( 0.5000000 0.1228709 -0.1260648), wk = 0.0030488 k( 57) = ( 0.5000000 0.1317490 -0.1349681), wk = 0.0030488 k( 58) = ( 0.5000000 0.1406270 -0.1438715), wk = 0.0030488 k( 59) = ( 0.5000000 0.1495051 -0.1527748), wk = 0.0030488 k( 60) = ( 0.5000000 0.1583832 -0.1616781), wk = 0.0030488 k( 61) = ( 0.5000000 0.1672613 -0.1705814), wk = 0.0030488 k( 62) = ( 0.5000000 0.1761394 -0.1794847), wk = 0.0030488 k( 63) = ( 0.5000000 0.1850175 -0.1883880), wk = 0.0030488 k( 64) = ( 0.5000000 0.1938956 -0.1972913), wk = 0.0030488 k( 65) = ( 0.5000000 0.2027737 -0.2061947), wk = 0.0030488 k( 66) = ( 0.5000000 0.2116518 -0.2150980), wk = 0.0030488 k( 67) = ( 0.5000000 0.2205299 -0.2240013), wk = 0.0030488 k( 68) = ( 0.5000000 0.2294080 -0.2329046), wk = 0.0030488 k( 69) = ( 0.5000000 0.2382861 -0.2418079), wk = 0.0030488 k( 70) = ( 0.5000000 0.2471642 -0.2507112), wk = 0.0030488 k( 71) = ( 0.5000000 0.2560423 -0.2596145), wk = 0.0030488 k( 72) = ( 0.5000000 0.2649204 -0.2685179), wk = 0.0030488 k( 73) = ( 0.5000000 0.2737984 -0.2774212), wk = 0.0030488 k( 74) = ( 0.5000000 0.2826765 -0.2863245), wk = 0.0030488 k( 75) = ( 0.5000000 0.2915546 -0.2952278), wk = 0.0030488 k( 76) = ( 0.5000000 0.3004327 -0.3041311), wk = 0.0030488 k( 77) = ( 0.5000000 0.3093108 -0.3130344), wk = 0.0030488 k( 78) = ( 0.5000000 0.3181889 -0.3219377), wk = 0.0030488 k( 79) = ( 0.5000000 0.3270670 -0.3308411), wk = 0.0030488 k( 80) = ( 0.5000000 0.3359451 -0.3397444), wk = 0.0030488 k( 81) = ( 0.5000000 0.3448232 -0.3486477), wk = 0.0030488 k( 82) = ( 0.5000000 0.3537013 -0.3575510), wk = 0.0030488 k( 83) = ( 0.5000000 0.3625794 -0.3664543), wk = 0.0030488 k( 84) = ( 0.5000000 0.3714575 -0.3753576), wk = 0.0030488 k( 85) = ( 0.5000000 0.3803356 -0.3842609), wk = 0.0030488 k( 86) = ( 0.5000000 0.3892137 -0.3931643), wk = 0.0030488 k( 87) = ( 0.5000000 0.3980917 -0.4020676), wk = 0.0030488 k( 88) = ( 0.5000000 0.4069698 -0.4109709), wk = 0.0030488 k( 89) = ( 0.5000000 0.4158479 -0.4198742), wk = 0.0030488 k( 90) = ( 0.5000000 0.4247260 -0.4287775), wk = 0.0030488 k( 91) = ( 0.5000000 0.4336041 -0.4376808), wk = 0.0030488 k( 92) = ( 0.5000000 0.4424822 -0.4465841), wk = 0.0030488 k( 93) = ( 0.5000000 0.4513603 -0.4554875), wk = 0.0030488 k( 94) = ( 0.5000000 0.4602384 -0.4643908), wk = 0.0030488 k( 95) = ( 0.5000000 0.4691165 -0.4732941), wk = 0.0030488 k( 96) = ( 0.5000000 0.4779946 -0.4821974), wk = 0.0030488 k( 97) = ( 0.5000000 0.4868727 -0.4911007), wk = 0.0030488 k( 98) = ( 0.5000000 0.4957508 -0.5000040), wk = 0.0030488 k( 99) = ( 0.5028288 0.4985715 0.4943304), wk = 0.0030488 k( 100) = ( 0.5000000 0.4985796 0.4971672), wk = 0.0030488 k( 101) = ( 0.5000000 0.4985796 0.4971672), wk = 0.0030488 k( 102) = ( 0.4926471 0.4912475 0.4898559), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839155 0.4825446), wk = 0.0030488 k( 104) = ( 0.4779412 0.4765834 0.4752334), wk = 0.0030488 k( 105) = ( 0.4705882 0.4692514 0.4679221), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619193 0.4606108), wk = 0.0030488 k( 107) = ( 0.4558823 0.4545873 0.4532995), wk = 0.0030488 k( 108) = ( 0.4485294 0.4472552 0.4459882), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399232 0.4386769), wk = 0.0030488 k( 110) = ( 0.4338235 0.4325911 0.4313657), wk = 0.0030488 k( 111) = ( 0.4264706 0.4252591 0.4240544), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179270 0.4167431), wk = 0.0030488 k( 113) = ( 0.4117647 0.4105949 0.4094318), wk = 0.0030488 k( 114) = ( 0.4044118 0.4032629 0.4021205), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959308 0.3948092), wk = 0.0030488 k( 116) = ( 0.3897059 0.3885988 0.3874980), wk = 0.0030488 k( 117) = ( 0.3823529 0.3812667 0.3801867), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739347 0.3728754), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666026 0.3655641), wk = 0.0030488 k( 120) = ( 0.3602941 0.3592706 0.3582528), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519385 0.3509416), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446065 0.3436303), wk = 0.0030488 k( 123) = ( 0.3382353 0.3372744 0.3363190), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299424 0.3290077), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226103 0.3216964), wk = 0.0030488 k( 126) = ( 0.3161765 0.3152783 0.3143851), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079462 0.3070739), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006142 0.2997626), wk = 0.0030488 k( 129) = ( 0.2941177 0.2932821 0.2924513), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859501 0.2851400), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786180 0.2778287), wk = 0.0030488 k( 132) = ( 0.2720588 0.2712859 0.2705174), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639539 0.2632062), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566218 0.2558949), wk = 0.0030488 k( 135) = ( 0.2500000 0.2492898 0.2485836), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419577 0.2412723), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346257 0.2339610), wk = 0.0030488 k( 138) = ( 0.2279412 0.2272936 0.2266498), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199616 0.2193385), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126295 0.2120272), wk = 0.0030488 k( 141) = ( 0.2058823 0.2052975 0.2047159), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979654 0.1974046), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906334 0.1900933), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833013 0.1827821), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759693 0.1754708), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686372 0.1681595), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613052 0.1608482), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539731 0.1535369), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466410 0.1462256), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393090 0.1389144), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319769 0.1316031), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246449 0.1242918), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173128 0.1169805), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099808 0.1096692), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026487 0.1023580), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953167 0.0950467), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879846 0.0877354), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806526 0.0804241), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733205 0.0731128), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659885 0.0658015), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586564 0.0584903), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513244 0.0511790), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439923 0.0438677), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366603 0.0365564), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293282 0.0292451), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219962 0.0219338), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146641 0.0146226), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073321 0.0073113), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089033 -0.0000253 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178066 -0.0000507 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267099 -0.0000760 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356133 -0.0001013 -0.0357146), wk = 0.0030488 k( 175) = ( 0.0445166 -0.0001266 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534199 -0.0001520 -0.0535719), wk = 0.0030488 k( 177) = ( 0.0623232 -0.0001773 -0.0625005), wk = 0.0030488 k( 178) = ( 0.0712265 -0.0002026 -0.0714292), wk = 0.0030488 k( 179) = ( 0.0801298 -0.0002280 -0.0803578), wk = 0.0030488 k( 180) = ( 0.0890331 -0.0002533 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979365 -0.0002786 -0.0982151), wk = 0.0030488 k( 182) = ( 0.1068398 -0.0003039 -0.1071437), wk = 0.0030488 k( 183) = ( 0.1157431 -0.0003293 -0.1160724), wk = 0.0030488 k( 184) = ( 0.1246464 -0.0003546 -0.1250010), wk = 0.0030488 k( 185) = ( 0.1335497 -0.0003799 -0.1339297), wk = 0.0030488 k( 186) = ( 0.1424530 -0.0004053 -0.1428583), wk = 0.0030488 k( 187) = ( 0.1513563 -0.0004306 -0.1517869), wk = 0.0030488 k( 188) = ( 0.1602597 -0.0004559 -0.1607156), wk = 0.0030488 k( 189) = ( 0.1691630 -0.0004813 -0.1696442), wk = 0.0030488 k( 190) = ( 0.1780663 -0.0005066 -0.1785729), wk = 0.0030488 k( 191) = ( 0.1869696 -0.0005319 -0.1875015), wk = 0.0030488 k( 192) = ( 0.1958729 -0.0005572 -0.1964302), wk = 0.0030488 k( 193) = ( 0.2047762 -0.0005826 -0.2053588), wk = 0.0030488 k( 194) = ( 0.2136795 -0.0006079 -0.2142874), wk = 0.0030488 k( 195) = ( 0.2225829 -0.0006332 -0.2232161), wk = 0.0030488 k( 196) = ( 0.2314862 -0.0006586 -0.2321447), wk = 0.0030488 k( 197) = ( 0.2403895 -0.0006839 -0.2410734), wk = 0.0030488 k( 198) = ( 0.2492928 -0.0007092 -0.2500020), wk = 0.0030488 k( 199) = ( 0.2581961 -0.0007345 -0.2589307), wk = 0.0030488 k( 200) = ( 0.2670994 -0.0007599 -0.2678593), wk = 0.0030488 k( 201) = ( 0.2760028 -0.0007852 -0.2767880), wk = 0.0030488 k( 202) = ( 0.2849061 -0.0008105 -0.2857166), wk = 0.0030488 k( 203) = ( 0.2938094 -0.0008359 -0.2946452), wk = 0.0030488 k( 204) = ( 0.3027127 -0.0008612 -0.3035739), wk = 0.0030488 k( 205) = ( 0.3116160 -0.0008865 -0.3125025), wk = 0.0030488 k( 206) = ( 0.3205193 -0.0009118 -0.3214312), wk = 0.0030488 k( 207) = ( 0.3294226 -0.0009372 -0.3303598), wk = 0.0030488 k( 208) = ( 0.3383259 -0.0009625 -0.3392885), wk = 0.0030488 k( 209) = ( 0.3472293 -0.0009878 -0.3482171), wk = 0.0030488 k( 210) = ( 0.3561326 -0.0010132 -0.3571457), wk = 0.0030488 k( 211) = ( 0.3650359 -0.0010385 -0.3660744), wk = 0.0030488 k( 212) = ( 0.3739392 -0.0010638 -0.3750030), wk = 0.0030488 k( 213) = ( 0.3828425 -0.0010891 -0.3839317), wk = 0.0030488 k( 214) = ( 0.3917458 -0.0011145 -0.3928603), wk = 0.0030488 k( 215) = ( 0.4006492 -0.0011398 -0.4017890), wk = 0.0030488 k( 216) = ( 0.4095525 -0.0011651 -0.4107176), wk = 0.0030488 k( 217) = ( 0.4184558 -0.0011905 -0.4196462), wk = 0.0030488 k( 218) = ( 0.4273591 -0.0012158 -0.4285749), wk = 0.0030488 k( 219) = ( 0.4362624 -0.0012411 -0.4375035), wk = 0.0030488 k( 220) = ( 0.4451657 -0.0012664 -0.4464322), wk = 0.0030488 k( 221) = ( 0.4540690 -0.0012918 -0.4553608), wk = 0.0030488 k( 222) = ( 0.4629723 -0.0013171 -0.4642895), wk = 0.0030488 k( 223) = ( 0.4718757 -0.0013424 -0.4732181), wk = 0.0030488 k( 224) = ( 0.4807790 -0.0013678 -0.4821468), wk = 0.0030488 k( 225) = ( 0.4896823 -0.0013931 -0.4910754), wk = 0.0030488 k( 226) = ( 0.4985856 -0.0014184 -0.5000040), wk = 0.0030488 k( 227) = ( 0.5014144 0.4971612 -0.0028368), wk = 0.0030488 k( 228) = ( 0.5000000 0.4985796 -0.0028368), wk = 0.0030488 k( 229) = ( 0.5000000 0.4985796 -0.0028368), wk = 0.0030488 k( 230) = ( 0.5000354 0.4986148 0.0095923), wk = 0.0030488 k( 231) = ( 0.5000707 0.4986501 0.0220215), wk = 0.0030488 k( 232) = ( 0.5001061 0.4986854 0.0344507), wk = 0.0030488 k( 233) = ( 0.5001414 0.4987206 0.0468799), wk = 0.0030488 k( 234) = ( 0.5001768 0.4987559 0.0593091), wk = 0.0030488 k( 235) = ( 0.5002122 0.4987911 0.0717382), wk = 0.0030488 k( 236) = ( 0.5002475 0.4988264 0.0841674), wk = 0.0030488 k( 237) = ( 0.5002829 0.4988617 0.0965966), wk = 0.0030488 k( 238) = ( 0.5003182 0.4988969 0.1090258), wk = 0.0030488 k( 239) = ( 0.5003536 0.4989322 0.1214550), wk = 0.0030488 k( 240) = ( 0.5003890 0.4989674 0.1338841), wk = 0.0030488 k( 241) = ( 0.5004243 0.4990027 0.1463133), wk = 0.0030488 k( 242) = ( 0.5004597 0.4990380 0.1587425), wk = 0.0030488 k( 243) = ( 0.5004950 0.4990732 0.1711717), wk = 0.0030488 k( 244) = ( 0.5005304 0.4991085 0.1836009), wk = 0.0030488 k( 245) = ( 0.5005658 0.4991437 0.1960300), wk = 0.0030488 k( 246) = ( 0.5006011 0.4991790 0.2084592), wk = 0.0030488 k( 247) = ( 0.5006365 0.4992142 0.2208884), wk = 0.0030488 k( 248) = ( 0.5006718 0.4992495 0.2333176), wk = 0.0030488 k( 249) = ( 0.5007072 0.4992848 0.2457468), wk = 0.0030488 k( 250) = ( 0.5007426 0.4993200 0.2581759), wk = 0.0030488 k( 251) = ( 0.5007779 0.4993553 0.2706051), wk = 0.0030488 k( 252) = ( 0.5008133 0.4993905 0.2830343), wk = 0.0030488 k( 253) = ( 0.5008486 0.4994258 0.2954635), wk = 0.0030488 k( 254) = ( 0.5008840 0.4994611 0.3078927), wk = 0.0030488 k( 255) = ( 0.5009194 0.4994963 0.3203218), wk = 0.0030488 k( 256) = ( 0.5009547 0.4995316 0.3327510), wk = 0.0030488 k( 257) = ( 0.5009901 0.4995668 0.3451802), wk = 0.0030488 k( 258) = ( 0.5010254 0.4996021 0.3576094), wk = 0.0030488 k( 259) = ( 0.5010608 0.4996374 0.3700386), wk = 0.0030488 k( 260) = ( 0.5010962 0.4996726 0.3824677), wk = 0.0030488 k( 261) = ( 0.5011315 0.4997079 0.3948969), wk = 0.0030488 k( 262) = ( 0.5011669 0.4997431 0.4073261), wk = 0.0030488 k( 263) = ( 0.5012022 0.4997784 0.4197553), wk = 0.0030488 k( 264) = ( 0.5012376 0.4998137 0.4321845), wk = 0.0030488 k( 265) = ( 0.5012730 0.4998489 0.4446136), wk = 0.0030488 k( 266) = ( 0.5013083 0.4998842 0.4570428), wk = 0.0030488 k( 267) = ( 0.5013437 0.4999194 0.4694720), wk = 0.0030488 k( 268) = ( 0.5013790 0.4999547 0.4819012), wk = 0.0030488 k( 269) = ( 0.5014144 0.4999899 0.4943304), wk = 0.0030488 k( 270) = ( 0.5014144 0.4999899 0.4943304), wk = 0.0030488 k( 271) = ( 0.5000000 0.4985796 0.4971672), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0014224 -0.0014184), wk = 0.0030488 k( 273) = ( 0.5000505 0.0074808 0.0074596), wk = 0.0030488 k( 274) = ( 0.5001010 0.0163840 0.0163376), wk = 0.0030488 k( 275) = ( 0.5001515 0.0252872 0.0252155), wk = 0.0030488 k( 276) = ( 0.5002021 0.0341904 0.0340935), wk = 0.0030488 k( 277) = ( 0.5002526 0.0430936 0.0429715), wk = 0.0030488 k( 278) = ( 0.5003031 0.0519968 0.0518495), wk = 0.0030488 k( 279) = ( 0.5003536 0.0609000 0.0607275), wk = 0.0030488 k( 280) = ( 0.5004041 0.0698032 0.0696055), wk = 0.0030488 k( 281) = ( 0.5004546 0.0787064 0.0784835), wk = 0.0030488 k( 282) = ( 0.5005051 0.0876096 0.0873614), wk = 0.0030488 k( 283) = ( 0.5005557 0.0965128 0.0962394), wk = 0.0030488 k( 284) = ( 0.5006062 0.1054160 0.1051174), wk = 0.0030488 k( 285) = ( 0.5006567 0.1143192 0.1139954), wk = 0.0030488 k( 286) = ( 0.5007072 0.1232224 0.1228734), wk = 0.0030488 k( 287) = ( 0.5007577 0.1321257 0.1317514), wk = 0.0030488 k( 288) = ( 0.5008082 0.1410289 0.1406294), wk = 0.0030488 k( 289) = ( 0.5008587 0.1499321 0.1495073), wk = 0.0030488 k( 290) = ( 0.5009092 0.1588353 0.1583853), wk = 0.0030488 k( 291) = ( 0.5009598 0.1677385 0.1672633), wk = 0.0030488 k( 292) = ( 0.5010103 0.1766417 0.1761413), wk = 0.0030488 k( 293) = ( 0.5010608 0.1855449 0.1850193), wk = 0.0030488 k( 294) = ( 0.5011113 0.1944481 0.1938973), wk = 0.0030488 k( 295) = ( 0.5011618 0.2033513 0.2027753), wk = 0.0030488 k( 296) = ( 0.5012123 0.2122545 0.2116532), wk = 0.0030488 k( 297) = ( 0.5012629 0.2211577 0.2205312), wk = 0.0030488 k( 298) = ( 0.5013134 0.2300609 0.2294092), wk = 0.0030488 k( 299) = ( 0.5013639 0.2389641 0.2382872), wk = 0.0030488 k( 300) = ( 0.5014144 0.2478673 0.2471652), wk = 0.0030488 k( 301) = ( 0.5014649 0.2567706 0.2560432), wk = 0.0030488 k( 302) = ( 0.5015154 0.2656738 0.2649212), wk = 0.0030488 k( 303) = ( 0.5015659 0.2745770 0.2737991), wk = 0.0030488 k( 304) = ( 0.5016164 0.2834802 0.2826771), wk = 0.0030488 k( 305) = ( 0.5016670 0.2923834 0.2915551), wk = 0.0030488 k( 306) = ( 0.5017175 0.3012866 0.3004331), wk = 0.0030488 k( 307) = ( 0.5017680 0.3101898 0.3093111), wk = 0.0030488 k( 308) = ( 0.5018185 0.3190930 0.3181891), wk = 0.0030488 k( 309) = ( 0.5018690 0.3279962 0.3270671), wk = 0.0030488 k( 310) = ( 0.5019195 0.3368994 0.3359450), wk = 0.0030488 k( 311) = ( 0.5019700 0.3458026 0.3448230), wk = 0.0030488 k( 312) = ( 0.5020206 0.3547058 0.3537010), wk = 0.0030488 k( 313) = ( 0.5020711 0.3636090 0.3625790), wk = 0.0030488 k( 314) = ( 0.5021216 0.3725122 0.3714570), wk = 0.0030488 k( 315) = ( 0.5021721 0.3814154 0.3803350), wk = 0.0030488 k( 316) = ( 0.5022226 0.3903186 0.3892130), wk = 0.0030488 k( 317) = ( 0.5022731 0.3992219 0.3980909), wk = 0.0030488 k( 318) = ( 0.5023237 0.4081251 0.4069689), wk = 0.0030488 k( 319) = ( 0.5023742 0.4170283 0.4158469), wk = 0.0030488 k( 320) = ( 0.5024247 0.4259315 0.4247249), wk = 0.0030488 k( 321) = ( 0.5024752 0.4348347 0.4336029), wk = 0.0030488 k( 322) = ( 0.5025257 0.4437379 0.4424809), wk = 0.0030488 k( 323) = ( 0.5025762 0.4526411 0.4513588), wk = 0.0030488 k( 324) = ( 0.5026267 0.4615443 0.4602368), wk = 0.0030488 k( 325) = ( 0.5026772 0.4704475 0.4691148), wk = 0.0030488 k( 326) = ( 0.5027278 0.4793507 0.4779928), wk = 0.0030488 k( 327) = ( 0.5027783 0.4882539 0.4868708), wk = 0.0030488 k( 328) = ( 0.5028288 0.4971571 0.4957488), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0000000 0.0000000), wk = 0.0030488 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0030488 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0030488 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030488 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030488 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030488 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0030488 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0030488 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0030488 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0030488 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0088781 -0.0088781), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177561 -0.0177561), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266342 -0.0266342), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355122 -0.0355122), wk = 0.0030488 k( 47) = ( 0.5000000 0.0443903 -0.0443903), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532683 -0.0532683), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621464 -0.0621464), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710245 -0.0710245), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799025 -0.0799025), wk = 0.0030488 k( 52) = ( 0.5000000 0.0887806 -0.0887806), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976586 -0.0976586), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065367 -0.1065367), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154147 -0.1154148), wk = 0.0030488 k( 56) = ( 0.5000000 0.1242928 -0.1242928), wk = 0.0030488 k( 57) = ( 0.5000000 0.1331709 -0.1331709), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420489 -0.1420489), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509270 -0.1509270), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598050 -0.1598050), wk = 0.0030488 k( 61) = ( 0.5000000 0.1686831 -0.1686831), wk = 0.0030488 k( 62) = ( 0.5000000 0.1775612 -0.1775612), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864392 -0.1864392), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953173 -0.1953173), wk = 0.0030488 k( 65) = ( 0.5000000 0.2041953 -0.2041953), wk = 0.0030488 k( 66) = ( 0.5000000 0.2130734 -0.2130734), wk = 0.0030488 k( 67) = ( 0.5000000 0.2219514 -0.2219514), wk = 0.0030488 k( 68) = ( 0.5000000 0.2308295 -0.2308295), wk = 0.0030488 k( 69) = ( 0.5000000 0.2397076 -0.2397075), wk = 0.0030488 k( 70) = ( 0.5000000 0.2485856 -0.2485856), wk = 0.0030488 k( 71) = ( 0.5000000 0.2574637 -0.2574637), wk = 0.0030488 k( 72) = ( 0.5000000 0.2663417 -0.2663417), wk = 0.0030488 k( 73) = ( 0.5000000 0.2752198 -0.2752198), wk = 0.0030488 k( 74) = ( 0.5000000 0.2840978 -0.2840978), wk = 0.0030488 k( 75) = ( 0.5000000 0.2929759 -0.2929759), wk = 0.0030488 k( 76) = ( 0.5000000 0.3018539 -0.3018539), wk = 0.0030488 k( 77) = ( 0.5000000 0.3107320 -0.3107320), wk = 0.0030488 k( 78) = ( 0.5000000 0.3196101 -0.3196101), wk = 0.0030488 k( 79) = ( 0.5000000 0.3284881 -0.3284881), wk = 0.0030488 k( 80) = ( 0.5000000 0.3373662 -0.3373662), wk = 0.0030488 k( 81) = ( 0.5000000 0.3462442 -0.3462442), wk = 0.0030488 k( 82) = ( 0.5000000 0.3551223 -0.3551223), wk = 0.0030488 k( 83) = ( 0.5000000 0.3640003 -0.3640003), wk = 0.0030488 k( 84) = ( 0.5000000 0.3728784 -0.3728784), wk = 0.0030488 k( 85) = ( 0.5000000 0.3817565 -0.3817565), wk = 0.0030488 k( 86) = ( 0.5000000 0.3906345 -0.3906345), wk = 0.0030488 k( 87) = ( 0.5000000 0.3995126 -0.3995126), wk = 0.0030488 k( 88) = ( 0.5000000 0.4083906 -0.4083906), wk = 0.0030488 k( 89) = ( 0.5000000 0.4172687 -0.4172687), wk = 0.0030488 k( 90) = ( 0.5000000 0.4261468 -0.4261468), wk = 0.0030488 k( 91) = ( 0.5000000 0.4350248 -0.4350248), wk = 0.0030488 k( 92) = ( 0.5000000 0.4439029 -0.4439029), wk = 0.0030488 k( 93) = ( 0.5000000 0.4527809 -0.4527809), wk = 0.0030488 k( 94) = ( 0.5000000 0.4616590 -0.4616590), wk = 0.0030488 k( 95) = ( 0.5000000 0.4705370 -0.4705370), wk = 0.0030488 k( 96) = ( 0.5000000 0.4794151 -0.4794151), wk = 0.0030488 k( 97) = ( 0.5000000 0.4882932 -0.4882932), wk = 0.0030488 k( 98) = ( 0.5000000 0.4971712 -0.4971712), wk = 0.0030488 k( 99) = ( 0.5028288 0.5000000 0.4971712), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0030488 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030488 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030488 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030488 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030488 k( 146) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030488 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030488 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030488 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030488 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030488 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030488 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030488 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030488 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030488 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030488 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030488 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030488 k( 158) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030488 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030488 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030488 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030488 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030488 k( 163) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030488 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030488 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030488 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089033 0.0000000 -0.0089033), wk = 0.0030488 k( 172) = ( 0.0178066 0.0000000 -0.0178066), wk = 0.0030488 k( 173) = ( 0.0267099 0.0000000 -0.0267099), wk = 0.0030488 k( 174) = ( 0.0356133 0.0000000 -0.0356133), wk = 0.0030488 k( 175) = ( 0.0445166 0.0000000 -0.0445166), wk = 0.0030488 k( 176) = ( 0.0534199 0.0000000 -0.0534199), wk = 0.0030488 k( 177) = ( 0.0623232 0.0000000 -0.0623232), wk = 0.0030488 k( 178) = ( 0.0712265 0.0000000 -0.0712265), wk = 0.0030488 k( 179) = ( 0.0801298 -0.0000000 -0.0801298), wk = 0.0030488 k( 180) = ( 0.0890331 0.0000000 -0.0890331), wk = 0.0030488 k( 181) = ( 0.0979365 0.0000000 -0.0979365), wk = 0.0030488 k( 182) = ( 0.1068398 0.0000000 -0.1068398), wk = 0.0030488 k( 183) = ( 0.1157431 0.0000000 -0.1157431), wk = 0.0030488 k( 184) = ( 0.1246464 0.0000000 -0.1246464), wk = 0.0030488 k( 185) = ( 0.1335497 0.0000000 -0.1335497), wk = 0.0030488 k( 186) = ( 0.1424530 -0.0000000 -0.1424530), wk = 0.0030488 k( 187) = ( 0.1513563 0.0000000 -0.1513563), wk = 0.0030488 k( 188) = ( 0.1602597 -0.0000000 -0.1602597), wk = 0.0030488 k( 189) = ( 0.1691630 -0.0000000 -0.1691630), wk = 0.0030488 k( 190) = ( 0.1780663 0.0000000 -0.1780663), wk = 0.0030488 k( 191) = ( 0.1869696 0.0000000 -0.1869696), wk = 0.0030488 k( 192) = ( 0.1958729 0.0000000 -0.1958729), wk = 0.0030488 k( 193) = ( 0.2047762 0.0000000 -0.2047762), wk = 0.0030488 k( 194) = ( 0.2136795 -0.0000000 -0.2136795), wk = 0.0030488 k( 195) = ( 0.2225829 0.0000000 -0.2225829), wk = 0.0030488 k( 196) = ( 0.2314862 -0.0000000 -0.2314862), wk = 0.0030488 k( 197) = ( 0.2403895 0.0000000 -0.2403895), wk = 0.0030488 k( 198) = ( 0.2492928 0.0000000 -0.2492928), wk = 0.0030488 k( 199) = ( 0.2581961 0.0000000 -0.2581961), wk = 0.0030488 k( 200) = ( 0.2670994 -0.0000000 -0.2670994), wk = 0.0030488 k( 201) = ( 0.2760028 0.0000000 -0.2760028), wk = 0.0030488 k( 202) = ( 0.2849061 -0.0000000 -0.2849061), wk = 0.0030488 k( 203) = ( 0.2938094 0.0000000 -0.2938094), wk = 0.0030488 k( 204) = ( 0.3027127 -0.0000000 -0.3027127), wk = 0.0030488 k( 205) = ( 0.3116160 -0.0000000 -0.3116160), wk = 0.0030488 k( 206) = ( 0.3205193 -0.0000000 -0.3205193), wk = 0.0030488 k( 207) = ( 0.3294226 0.0000000 -0.3294226), wk = 0.0030488 k( 208) = ( 0.3383259 0.0000000 -0.3383260), wk = 0.0030488 k( 209) = ( 0.3472293 0.0000000 -0.3472293), wk = 0.0030488 k( 210) = ( 0.3561326 0.0000000 -0.3561326), wk = 0.0030488 k( 211) = ( 0.3650359 -0.0000000 -0.3650359), wk = 0.0030488 k( 212) = ( 0.3739392 0.0000000 -0.3739392), wk = 0.0030488 k( 213) = ( 0.3828425 -0.0000000 -0.3828425), wk = 0.0030488 k( 214) = ( 0.3917458 -0.0000000 -0.3917458), wk = 0.0030488 k( 215) = ( 0.4006492 0.0000000 -0.4006492), wk = 0.0030488 k( 216) = ( 0.4095525 0.0000000 -0.4095525), wk = 0.0030488 k( 217) = ( 0.4184558 0.0000000 -0.4184558), wk = 0.0030488 k( 218) = ( 0.4273591 0.0000000 -0.4273591), wk = 0.0030488 k( 219) = ( 0.4362624 -0.0000000 -0.4362624), wk = 0.0030488 k( 220) = ( 0.4451657 0.0000000 -0.4451657), wk = 0.0030488 k( 221) = ( 0.4540690 -0.0000000 -0.4540690), wk = 0.0030488 k( 222) = ( 0.4629723 0.0000000 -0.4629724), wk = 0.0030488 k( 223) = ( 0.4718757 0.0000000 -0.4718757), wk = 0.0030488 k( 224) = ( 0.4807790 0.0000000 -0.4807790), wk = 0.0030488 k( 225) = ( 0.4896823 0.0000000 -0.4896823), wk = 0.0030488 k( 226) = ( 0.4985856 -0.0000000 -0.4985856), wk = 0.0030488 k( 227) = ( 0.5014144 0.4985856 0.0000000), wk = 0.0030488 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 230) = ( 0.5000354 0.5000354 0.0124293), wk = 0.0030488 k( 231) = ( 0.5000707 0.5000707 0.0248586), wk = 0.0030488 k( 232) = ( 0.5001061 0.5001061 0.0372878), wk = 0.0030488 k( 233) = ( 0.5001414 0.5001414 0.0497171), wk = 0.0030488 k( 234) = ( 0.5001768 0.5001768 0.0621464), wk = 0.0030488 k( 235) = ( 0.5002122 0.5002122 0.0745757), wk = 0.0030488 k( 236) = ( 0.5002475 0.5002475 0.0870050), wk = 0.0030488 k( 237) = ( 0.5002829 0.5002829 0.0994342), wk = 0.0030488 k( 238) = ( 0.5003182 0.5003182 0.1118635), wk = 0.0030488 k( 239) = ( 0.5003536 0.5003536 0.1242928), wk = 0.0030488 k( 240) = ( 0.5003890 0.5003890 0.1367221), wk = 0.0030488 k( 241) = ( 0.5004243 0.5004243 0.1491514), wk = 0.0030488 k( 242) = ( 0.5004597 0.5004597 0.1615806), wk = 0.0030488 k( 243) = ( 0.5004950 0.5004950 0.1740099), wk = 0.0030488 k( 244) = ( 0.5005304 0.5005304 0.1864392), wk = 0.0030488 k( 245) = ( 0.5005658 0.5005658 0.1988685), wk = 0.0030488 k( 246) = ( 0.5006011 0.5006011 0.2112978), wk = 0.0030488 k( 247) = ( 0.5006365 0.5006365 0.2237271), wk = 0.0030488 k( 248) = ( 0.5006718 0.5006718 0.2361563), wk = 0.0030488 k( 249) = ( 0.5007072 0.5007072 0.2485856), wk = 0.0030488 k( 250) = ( 0.5007426 0.5007426 0.2610149), wk = 0.0030488 k( 251) = ( 0.5007779 0.5007779 0.2734442), wk = 0.0030488 k( 252) = ( 0.5008133 0.5008133 0.2858735), wk = 0.0030488 k( 253) = ( 0.5008486 0.5008486 0.2983027), wk = 0.0030488 k( 254) = ( 0.5008840 0.5008840 0.3107320), wk = 0.0030488 k( 255) = ( 0.5009194 0.5009194 0.3231613), wk = 0.0030488 k( 256) = ( 0.5009547 0.5009547 0.3355906), wk = 0.0030488 k( 257) = ( 0.5009901 0.5009901 0.3480199), wk = 0.0030488 k( 258) = ( 0.5010254 0.5010254 0.3604491), wk = 0.0030488 k( 259) = ( 0.5010608 0.5010608 0.3728784), wk = 0.0030488 k( 260) = ( 0.5010962 0.5010962 0.3853077), wk = 0.0030488 k( 261) = ( 0.5011315 0.5011315 0.3977370), wk = 0.0030488 k( 262) = ( 0.5011669 0.5011669 0.4101663), wk = 0.0030488 k( 263) = ( 0.5012022 0.5012022 0.4225955), wk = 0.0030488 k( 264) = ( 0.5012376 0.5012376 0.4350248), wk = 0.0030488 k( 265) = ( 0.5012730 0.5012730 0.4474541), wk = 0.0030488 k( 266) = ( 0.5013083 0.5013083 0.4598834), wk = 0.0030488 k( 267) = ( 0.5013437 0.5013437 0.4723127), wk = 0.0030488 k( 268) = ( 0.5013790 0.5013790 0.4847419), wk = 0.0030488 k( 269) = ( 0.5014144 0.5014144 0.4971712), wk = 0.0030488 k( 270) = ( 0.5014144 0.5014144 0.4971712), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 273) = ( 0.5000505 0.0089033 0.0089033), wk = 0.0030488 k( 274) = ( 0.5001010 0.0178066 0.0178066), wk = 0.0030488 k( 275) = ( 0.5001515 0.0267099 0.0267099), wk = 0.0030488 k( 276) = ( 0.5002021 0.0356133 0.0356133), wk = 0.0030488 k( 277) = ( 0.5002526 0.0445166 0.0445166), wk = 0.0030488 k( 278) = ( 0.5003031 0.0534199 0.0534199), wk = 0.0030488 k( 279) = ( 0.5003536 0.0623232 0.0623232), wk = 0.0030488 k( 280) = ( 0.5004041 0.0712265 0.0712265), wk = 0.0030488 k( 281) = ( 0.5004546 0.0801298 0.0801298), wk = 0.0030488 k( 282) = ( 0.5005051 0.0890331 0.0890331), wk = 0.0030488 k( 283) = ( 0.5005557 0.0979365 0.0979365), wk = 0.0030488 k( 284) = ( 0.5006062 0.1068398 0.1068398), wk = 0.0030488 k( 285) = ( 0.5006567 0.1157431 0.1157431), wk = 0.0030488 k( 286) = ( 0.5007072 0.1246464 0.1246464), wk = 0.0030488 k( 287) = ( 0.5007577 0.1335497 0.1335497), wk = 0.0030488 k( 288) = ( 0.5008082 0.1424530 0.1424530), wk = 0.0030488 k( 289) = ( 0.5008587 0.1513563 0.1513563), wk = 0.0030488 k( 290) = ( 0.5009092 0.1602597 0.1602597), wk = 0.0030488 k( 291) = ( 0.5009598 0.1691630 0.1691630), wk = 0.0030488 k( 292) = ( 0.5010103 0.1780663 0.1780663), wk = 0.0030488 k( 293) = ( 0.5010608 0.1869696 0.1869696), wk = 0.0030488 k( 294) = ( 0.5011113 0.1958729 0.1958729), wk = 0.0030488 k( 295) = ( 0.5011618 0.2047762 0.2047762), wk = 0.0030488 k( 296) = ( 0.5012123 0.2136795 0.2136796), wk = 0.0030488 k( 297) = ( 0.5012629 0.2225829 0.2225829), wk = 0.0030488 k( 298) = ( 0.5013134 0.2314862 0.2314862), wk = 0.0030488 k( 299) = ( 0.5013639 0.2403895 0.2403895), wk = 0.0030488 k( 300) = ( 0.5014144 0.2492928 0.2492928), wk = 0.0030488 k( 301) = ( 0.5014649 0.2581961 0.2581961), wk = 0.0030488 k( 302) = ( 0.5015154 0.2670994 0.2670994), wk = 0.0030488 k( 303) = ( 0.5015659 0.2760028 0.2760028), wk = 0.0030488 k( 304) = ( 0.5016164 0.2849061 0.2849061), wk = 0.0030488 k( 305) = ( 0.5016670 0.2938094 0.2938094), wk = 0.0030488 k( 306) = ( 0.5017175 0.3027127 0.3027127), wk = 0.0030488 k( 307) = ( 0.5017680 0.3116160 0.3116160), wk = 0.0030488 k( 308) = ( 0.5018185 0.3205193 0.3205193), wk = 0.0030488 k( 309) = ( 0.5018690 0.3294226 0.3294226), wk = 0.0030488 k( 310) = ( 0.5019195 0.3383259 0.3383259), wk = 0.0030488 k( 311) = ( 0.5019700 0.3472293 0.3472293), wk = 0.0030488 k( 312) = ( 0.5020206 0.3561326 0.3561326), wk = 0.0030488 k( 313) = ( 0.5020711 0.3650359 0.3650359), wk = 0.0030488 k( 314) = ( 0.5021216 0.3739392 0.3739392), wk = 0.0030488 k( 315) = ( 0.5021721 0.3828425 0.3828425), wk = 0.0030488 k( 316) = ( 0.5022226 0.3917458 0.3917458), wk = 0.0030488 k( 317) = ( 0.5022731 0.4006492 0.4006492), wk = 0.0030488 k( 318) = ( 0.5023237 0.4095525 0.4095525), wk = 0.0030488 k( 319) = ( 0.5023742 0.4184558 0.4184558), wk = 0.0030488 k( 320) = ( 0.5024247 0.4273591 0.4273591), wk = 0.0030488 k( 321) = ( 0.5024752 0.4362624 0.4362624), wk = 0.0030488 k( 322) = ( 0.5025257 0.4451657 0.4451657), wk = 0.0030488 k( 323) = ( 0.5025762 0.4540690 0.4540690), wk = 0.0030488 k( 324) = ( 0.5026267 0.4629724 0.4629723), wk = 0.0030488 k( 325) = ( 0.5026772 0.4718757 0.4718757), wk = 0.0030488 k( 326) = ( 0.5027278 0.4807790 0.4807790), wk = 0.0030488 k( 327) = ( 0.5027783 0.4896823 0.4896823), wk = 0.0030488 k( 328) = ( 0.5028288 0.4985856 0.4985856), wk = 0.0030488 Dense grid: 101073 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21975 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 130, 48) NL pseudopotentials 0.11 Mb ( 65, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1765) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 130, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.2 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.8 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 6 total cpu time spent up to now is 60.4 secs Computing kpt #: 7 total cpu time spent up to now is 62.6 secs Computing kpt #: 8 total cpu time spent up to now is 64.3 secs Computing kpt #: 9 total cpu time spent up to now is 66.1 secs Computing kpt #: 10 total cpu time spent up to now is 67.9 secs Computing kpt #: 11 total cpu time spent up to now is 69.6 secs Computing kpt #: 12 total cpu time spent up to now is 71.3 secs Computing kpt #: 13 total cpu time spent up to now is 73.1 secs Computing kpt #: 14 total cpu time spent up to now is 74.4 secs Computing kpt #: 15 total cpu time spent up to now is 75.7 secs Computing kpt #: 16 total cpu time spent up to now is 77.3 secs Computing kpt #: 17 total cpu time spent up to now is 78.6 secs Computing kpt #: 18 total cpu time spent up to now is 80.1 secs Computing kpt #: 19 total cpu time spent up to now is 81.5 secs Computing kpt #: 20 total cpu time spent up to now is 82.8 secs Computing kpt #: 21 total cpu time spent up to now is 84.1 secs Computing kpt #: 22 total cpu time spent up to now is 85.3 secs Computing kpt #: 23 total cpu time spent up to now is 86.7 secs Computing kpt #: 24 total cpu time spent up to now is 87.9 secs Computing kpt #: 25 total cpu time spent up to now is 89.3 secs Computing kpt #: 26 total cpu time spent up to now is 90.6 secs Computing kpt #: 27 total cpu time spent up to now is 91.8 secs Computing kpt #: 28 total cpu time spent up to now is 93.0 secs Computing kpt #: 29 total cpu time spent up to now is 94.1 secs Computing kpt #: 30 total cpu time spent up to now is 95.4 secs Computing kpt #: 31 total cpu time spent up to now is 96.7 secs Computing kpt #: 32 total cpu time spent up to now is 97.9 secs Computing kpt #: 33 total cpu time spent up to now is 99.0 secs Computing kpt #: 34 total cpu time spent up to now is 100.3 secs Computing kpt #: 35 total cpu time spent up to now is 101.5 secs Computing kpt #: 36 total cpu time spent up to now is 102.7 secs Computing kpt #: 37 total cpu time spent up to now is 104.0 secs Computing kpt #: 38 total cpu time spent up to now is 105.2 secs Computing kpt #: 39 total cpu time spent up to now is 106.3 secs Computing kpt #: 40 total cpu time spent up to now is 107.5 secs Computing kpt #: 41 total cpu time spent up to now is 108.8 secs Computing kpt #: 42 total cpu time spent up to now is 110.1 secs Computing kpt #: 43 total cpu time spent up to now is 111.3 secs Computing kpt #: 44 total cpu time spent up to now is 112.5 secs Computing kpt #: 45 total cpu time spent up to now is 113.9 secs Computing kpt #: 46 total cpu time spent up to now is 115.2 secs Computing kpt #: 47 total cpu time spent up to now is 116.5 secs Computing kpt #: 48 total cpu time spent up to now is 117.8 secs Computing kpt #: 49 total cpu time spent up to now is 119.0 secs Computing kpt #: 50 total cpu time spent up to now is 120.1 secs Computing kpt #: 51 total cpu time spent up to now is 121.4 secs Computing kpt #: 52 total cpu time spent up to now is 122.6 secs Computing kpt #: 53 total cpu time spent up to now is 123.8 secs Computing kpt #: 54 total cpu time spent up to now is 125.0 secs Computing kpt #: 55 total cpu time spent up to now is 126.3 secs Computing kpt #: 56 total cpu time spent up to now is 127.5 secs Computing kpt #: 57 total cpu time spent up to now is 128.7 secs Computing kpt #: 58 total cpu time spent up to now is 129.9 secs Computing kpt #: 59 total cpu time spent up to now is 131.3 secs Computing kpt #: 60 total cpu time spent up to now is 132.5 secs Computing kpt #: 61 total cpu time spent up to now is 133.8 secs Computing kpt #: 62 total cpu time spent up to now is 135.0 secs Computing kpt #: 63 total cpu time spent up to now is 136.2 secs Computing kpt #: 64 total cpu time spent up to now is 137.7 secs Computing kpt #: 65 total cpu time spent up to now is 139.0 secs Computing kpt #: 66 total cpu time spent up to now is 140.3 secs Computing kpt #: 67 total cpu time spent up to now is 141.6 secs Computing kpt #: 68 total cpu time spent up to now is 142.9 secs Computing kpt #: 69 total cpu time spent up to now is 144.2 secs Computing kpt #: 70 total cpu time spent up to now is 145.6 secs Computing kpt #: 71 total cpu time spent up to now is 146.9 secs Computing kpt #: 72 total cpu time spent up to now is 148.4 secs Computing kpt #: 73 total cpu time spent up to now is 150.0 secs Computing kpt #: 74 total cpu time spent up to now is 151.6 secs Computing kpt #: 75 total cpu time spent up to now is 153.3 secs Computing kpt #: 76 total cpu time spent up to now is 155.0 secs Computing kpt #: 77 total cpu time spent up to now is 156.8 secs Computing kpt #: 78 total cpu time spent up to now is 158.8 secs Computing kpt #: 79 total cpu time spent up to now is 161.0 secs Computing kpt #: 80 total cpu time spent up to now is 163.4 secs Computing kpt #: 81 total cpu time spent up to now is 165.8 secs Computing kpt #: 82 total cpu time spent up to now is 167.9 secs Computing kpt #: 83 total cpu time spent up to now is 170.4 secs Computing kpt #: 84 total cpu time spent up to now is 172.6 secs Computing kpt #: 85 total cpu time spent up to now is 175.1 secs Computing kpt #: 86 total cpu time spent up to now is 177.7 secs Computing kpt #: 87 total cpu time spent up to now is 180.5 secs Computing kpt #: 88 total cpu time spent up to now is 184.7 secs Computing kpt #: 89 total cpu time spent up to now is 188.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.6 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.0 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.9 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.2 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.4 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.5 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.9 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.4 secs Computing kpt #: 124 total cpu time spent up to now is 298.4 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.5 secs Computing kpt #: 126 total cpu time spent up to now is 303.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.9 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.3 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.3 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.5 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.7 secs Computing kpt #: 133 total cpu time spent up to now is 324.9 secs Computing kpt #: 134 total cpu time spent up to now is 326.6 secs Computing kpt #: 135 total cpu time spent up to now is 328.3 secs Computing kpt #: 136 total cpu time spent up to now is 330.0 secs Computing kpt #: 137 total cpu time spent up to now is 331.7 secs Computing kpt #: 138 total cpu time spent up to now is 333.4 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.5 secs Computing kpt #: 140 total cpu time spent up to now is 338.2 secs Computing kpt #: 141 total cpu time spent up to now is 339.6 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.8 secs Computing kpt #: 144 total cpu time spent up to now is 347.4 secs Computing kpt #: 145 total cpu time spent up to now is 349.0 secs Computing kpt #: 146 total cpu time spent up to now is 350.5 secs Computing kpt #: 147 total cpu time spent up to now is 352.1 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.5 secs Computing kpt #: 151 total cpu time spent up to now is 363.8 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.0 secs Computing kpt #: 153 total cpu time spent up to now is 369.4 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.6 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.8 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.0 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.2 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 385.4 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.1 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.3 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 404.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.8 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.0 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.5 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.6 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.8 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.0 secs Computing kpt #: 172 total cpu time spent up to now is 429.8 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.4 secs Computing kpt #: 175 total cpu time spent up to now is 439.0 secs Computing kpt #: 176 total cpu time spent up to now is 441.6 secs Computing kpt #: 177 total cpu time spent up to now is 443.4 secs Computing kpt #: 178 total cpu time spent up to now is 445.6 secs Computing kpt #: 179 total cpu time spent up to now is 447.4 secs Computing kpt #: 180 total cpu time spent up to now is 449.2 secs Computing kpt #: 181 total cpu time spent up to now is 450.9 secs Computing kpt #: 182 total cpu time spent up to now is 452.5 secs Computing kpt #: 183 total cpu time spent up to now is 454.2 secs Computing kpt #: 184 total cpu time spent up to now is 455.9 secs Computing kpt #: 185 total cpu time spent up to now is 457.2 secs Computing kpt #: 186 total cpu time spent up to now is 458.9 secs Computing kpt #: 187 total cpu time spent up to now is 460.3 secs Computing kpt #: 188 total cpu time spent up to now is 461.6 secs Computing kpt #: 189 total cpu time spent up to now is 462.9 secs Computing kpt #: 190 total cpu time spent up to now is 464.2 secs Computing kpt #: 191 total cpu time spent up to now is 465.5 secs Computing kpt #: 192 total cpu time spent up to now is 466.8 secs Computing kpt #: 193 total cpu time spent up to now is 468.1 secs Computing kpt #: 194 total cpu time spent up to now is 469.6 secs Computing kpt #: 195 total cpu time spent up to now is 470.9 secs Computing kpt #: 196 total cpu time spent up to now is 472.1 secs Computing kpt #: 197 total cpu time spent up to now is 473.4 secs Computing kpt #: 198 total cpu time spent up to now is 474.9 secs Computing kpt #: 199 total cpu time spent up to now is 476.1 secs Computing kpt #: 200 total cpu time spent up to now is 477.3 secs Computing kpt #: 201 total cpu time spent up to now is 478.7 secs Computing kpt #: 202 total cpu time spent up to now is 479.9 secs Computing kpt #: 203 total cpu time spent up to now is 481.1 secs Computing kpt #: 204 total cpu time spent up to now is 482.7 secs Computing kpt #: 205 total cpu time spent up to now is 484.7 secs Computing kpt #: 206 total cpu time spent up to now is 486.6 secs Computing kpt #: 207 total cpu time spent up to now is 488.4 secs Computing kpt #: 208 total cpu time spent up to now is 489.6 secs Computing kpt #: 209 total cpu time spent up to now is 490.8 secs Computing kpt #: 210 total cpu time spent up to now is 492.0 secs Computing kpt #: 211 total cpu time spent up to now is 493.1 secs Computing kpt #: 212 total cpu time spent up to now is 494.3 secs Computing kpt #: 213 total cpu time spent up to now is 495.7 secs Computing kpt #: 214 total cpu time spent up to now is 496.8 secs Computing kpt #: 215 total cpu time spent up to now is 497.9 secs Computing kpt #: 216 total cpu time spent up to now is 499.1 secs Computing kpt #: 217 total cpu time spent up to now is 500.2 secs Computing kpt #: 218 total cpu time spent up to now is 501.4 secs Computing kpt #: 219 total cpu time spent up to now is 502.6 secs Computing kpt #: 220 total cpu time spent up to now is 503.6 secs Computing kpt #: 221 total cpu time spent up to now is 505.0 secs Computing kpt #: 222 total cpu time spent up to now is 506.0 secs Computing kpt #: 223 total cpu time spent up to now is 507.0 secs Computing kpt #: 224 total cpu time spent up to now is 508.0 secs Computing kpt #: 225 total cpu time spent up to now is 509.0 secs Computing kpt #: 226 total cpu time spent up to now is 510.1 secs Computing kpt #: 227 total cpu time spent up to now is 511.2 secs Computing kpt #: 228 total cpu time spent up to now is 512.2 secs Computing kpt #: 229 total cpu time spent up to now is 513.3 secs Computing kpt #: 230 total cpu time spent up to now is 514.3 secs Computing kpt #: 231 total cpu time spent up to now is 515.3 secs Computing kpt #: 232 total cpu time spent up to now is 516.5 secs Computing kpt #: 233 total cpu time spent up to now is 517.6 secs Computing kpt #: 234 total cpu time spent up to now is 518.8 secs Computing kpt #: 235 total cpu time spent up to now is 519.8 secs Computing kpt #: 236 total cpu time spent up to now is 521.1 secs Computing kpt #: 237 total cpu time spent up to now is 522.3 secs Computing kpt #: 238 total cpu time spent up to now is 523.6 secs Computing kpt #: 239 total cpu time spent up to now is 524.8 secs Computing kpt #: 240 total cpu time spent up to now is 526.2 secs Computing kpt #: 241 total cpu time spent up to now is 527.4 secs Computing kpt #: 242 total cpu time spent up to now is 528.7 secs Computing kpt #: 243 total cpu time spent up to now is 530.2 secs Computing kpt #: 244 total cpu time spent up to now is 531.8 secs Computing kpt #: 245 total cpu time spent up to now is 533.3 secs Computing kpt #: 246 total cpu time spent up to now is 534.8 secs Computing kpt #: 247 total cpu time spent up to now is 536.5 secs Computing kpt #: 248 total cpu time spent up to now is 538.1 secs Computing kpt #: 249 total cpu time spent up to now is 539.7 secs Computing kpt #: 250 total cpu time spent up to now is 541.4 secs Computing kpt #: 251 total cpu time spent up to now is 543.0 secs Computing kpt #: 252 total cpu time spent up to now is 544.8 secs Computing kpt #: 253 total cpu time spent up to now is 546.6 secs Computing kpt #: 254 total cpu time spent up to now is 548.5 secs Computing kpt #: 255 total cpu time spent up to now is 550.2 secs Computing kpt #: 256 total cpu time spent up to now is 552.2 secs Computing kpt #: 257 total cpu time spent up to now is 554.2 secs Computing kpt #: 258 total cpu time spent up to now is 556.4 secs Computing kpt #: 259 total cpu time spent up to now is 558.3 secs Computing kpt #: 260 total cpu time spent up to now is 560.9 secs Computing kpt #: 261 total cpu time spent up to now is 563.6 secs Computing kpt #: 262 total cpu time spent up to now is 566.4 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.7 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.0 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.2 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.3 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.5 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 591.6 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 594.7 secs Computing kpt #: 272 total cpu time spent up to now is 595.8 secs Computing kpt #: 273 total cpu time spent up to now is 597.0 secs Computing kpt #: 274 total cpu time spent up to now is 598.3 secs Computing kpt #: 275 total cpu time spent up to now is 599.7 secs Computing kpt #: 276 total cpu time spent up to now is 601.0 secs Computing kpt #: 277 total cpu time spent up to now is 602.3 secs Computing kpt #: 278 total cpu time spent up to now is 603.5 secs Computing kpt #: 279 total cpu time spent up to now is 604.7 secs Computing kpt #: 280 total cpu time spent up to now is 605.9 secs Computing kpt #: 281 total cpu time spent up to now is 607.1 secs Computing kpt #: 282 total cpu time spent up to now is 608.3 secs Computing kpt #: 283 total cpu time spent up to now is 609.5 secs Computing kpt #: 284 total cpu time spent up to now is 610.7 secs Computing kpt #: 285 total cpu time spent up to now is 611.8 secs Computing kpt #: 286 total cpu time spent up to now is 613.1 secs Computing kpt #: 287 total cpu time spent up to now is 614.3 secs Computing kpt #: 288 total cpu time spent up to now is 615.6 secs Computing kpt #: 289 total cpu time spent up to now is 616.8 secs Computing kpt #: 290 total cpu time spent up to now is 618.0 secs Computing kpt #: 291 total cpu time spent up to now is 619.2 secs Computing kpt #: 292 total cpu time spent up to now is 620.4 secs Computing kpt #: 293 total cpu time spent up to now is 621.6 secs Computing kpt #: 294 total cpu time spent up to now is 622.7 secs Computing kpt #: 295 total cpu time spent up to now is 624.1 secs Computing kpt #: 296 total cpu time spent up to now is 625.6 secs Computing kpt #: 297 total cpu time spent up to now is 626.8 secs Computing kpt #: 298 total cpu time spent up to now is 628.0 secs Computing kpt #: 299 total cpu time spent up to now is 629.3 secs Computing kpt #: 300 total cpu time spent up to now is 630.8 secs Computing kpt #: 301 total cpu time spent up to now is 632.3 secs Computing kpt #: 302 total cpu time spent up to now is 633.6 secs Computing kpt #: 303 total cpu time spent up to now is 634.8 secs Computing kpt #: 304 total cpu time spent up to now is 636.2 secs Computing kpt #: 305 total cpu time spent up to now is 637.9 secs Computing kpt #: 306 total cpu time spent up to now is 639.5 secs Computing kpt #: 307 total cpu time spent up to now is 641.2 secs Computing kpt #: 308 total cpu time spent up to now is 643.0 secs Computing kpt #: 309 total cpu time spent up to now is 644.6 secs Computing kpt #: 310 total cpu time spent up to now is 646.6 secs Computing kpt #: 311 total cpu time spent up to now is 648.9 secs Computing kpt #: 312 total cpu time spent up to now is 651.3 secs Computing kpt #: 313 total cpu time spent up to now is 653.3 secs Computing kpt #: 314 total cpu time spent up to now is 655.9 secs Computing kpt #: 315 total cpu time spent up to now is 658.5 secs Computing kpt #: 316 total cpu time spent up to now is 661.1 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.3 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.5 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.6 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.8 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.9 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.1 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.2 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.4 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.5 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.6 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.7 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.9 secs ethr = 2.50E-11, avg # of iterations = 61.6 total cpu time spent up to now is 699.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9289 -45.9289 -22.6458 -22.6458 -21.9928 -21.9928 -21.9896 -21.9896 -14.4102 -14.4102 -6.4975 -6.4975 -5.8341 -5.8341 -5.8314 -5.8314 -0.9497 -0.9497 0.9646 0.9646 0.9668 0.9668 7.9794 7.9794 8.1945 8.1945 8.1966 8.1966 8.9878 8.9878 8.9972 8.9972 9.2317 9.2317 9.7630 9.7630 9.9138 9.9138 9.9704 9.9704 12.7108 12.7108 12.7225 12.7225 12.8630 12.8630 14.8411 14.8424 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9289 -45.9289 -22.6459 -22.6458 -21.9929 -21.9929 -21.9896 -21.9895 -14.4100 -14.4100 -6.4977 -6.4974 -5.8342 -5.8339 -5.8314 -5.8314 -0.9495 -0.9493 0.9650 0.9650 0.9669 0.9676 7.9765 7.9802 8.1903 8.1937 8.1964 8.1966 8.9858 8.9860 8.9943 8.9962 9.2301 9.2315 9.7478 9.7729 9.9005 9.9240 9.9706 9.9709 12.7117 12.7123 12.7230 12.7251 12.8631 12.8647 14.8416 14.8418 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9289 -45.9289 -22.6459 -22.6458 -21.9929 -21.9929 -21.9897 -21.9896 -14.4095 -14.4095 -6.4979 -6.4974 -5.8343 -5.8336 -5.8312 -5.8312 -0.9486 -0.9481 0.9660 0.9661 0.9678 0.9693 7.9714 7.9789 8.1820 8.1888 8.1952 8.1956 8.9799 8.9802 8.9876 8.9913 9.2266 9.2292 9.7283 9.7760 9.8864 9.9293 9.9706 9.9730 12.7127 12.7157 12.7288 12.7311 12.8651 12.8683 14.8415 14.8419 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9289 -45.9289 -22.6461 -22.6459 -21.9930 -21.9930 -21.9899 -21.9896 -14.4086 -14.4086 -6.4982 -6.4975 -5.8343 -5.8333 -5.8310 -5.8310 -0.9470 -0.9462 0.9675 0.9678 0.9698 0.9721 7.9639 7.9752 8.1698 8.1802 8.1929 8.1936 8.9701 8.9706 8.9775 8.9828 9.2212 9.2249 9.7053 9.7708 9.8737 9.9295 9.9698 9.9761 12.7131 12.7193 12.7407 12.7421 12.8693 12.8738 14.8413 14.8420 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9289 -45.9289 -22.6462 -22.6460 -21.9933 -21.9932 -21.9900 -21.9897 -14.4074 -14.4073 -6.4986 -6.4977 -5.8342 -5.8328 -5.8306 -5.8306 -0.9447 -0.9437 0.9695 0.9699 0.9729 0.9759 7.9536 7.9689 8.1540 8.1682 8.1898 8.1905 8.9564 8.9571 8.9644 8.9708 9.2138 9.2185 9.6794 9.7567 9.8636 9.9258 9.9677 9.9785 12.7137 12.7227 12.7580 12.7586 12.8757 12.8812 14.8411 14.8419 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9289 -45.9289 -22.6465 -22.6461 -21.9936 -21.9935 -21.9901 -21.9899 -14.4058 -14.4057 -6.4992 -6.4980 -5.8339 -5.8323 -5.8300 -5.8300 -0.9417 -0.9405 0.9720 0.9724 0.9772 0.9807 7.9400 7.9592 8.1354 8.1534 8.1856 8.1864 8.9391 8.9401 8.9488 8.9557 9.2045 9.2100 9.6510 9.7347 9.8554 9.9194 9.9640 9.9789 12.7150 12.7261 12.7803 12.7804 12.8847 12.8909 14.8408 14.8418 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9288 -45.9288 -22.6468 -22.6464 -21.9941 -21.9939 -21.9903 -21.9900 -14.4039 -14.4038 -6.5001 -6.4987 -5.8333 -5.8316 -5.8293 -5.8291 -0.9382 -0.9367 0.9750 0.9754 0.9824 0.9865 7.9226 7.9454 8.1151 8.1366 8.1804 8.1813 8.9185 8.9197 8.9308 8.9378 9.1932 9.1993 9.6205 9.7068 9.8477 9.9111 9.9583 9.9763 12.7174 12.7299 12.8068 12.8069 12.8965 12.9031 14.8404 14.8417 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9288 -45.9288 -22.6470 -22.6466 -21.9946 -21.9944 -21.9904 -21.9901 -14.4016 -14.4016 -6.5013 -6.4997 -5.8326 -5.8308 -5.8284 -5.8279 -0.9340 -0.9322 0.9785 0.9789 0.9885 0.9933 7.9006 7.9263 8.0944 8.1187 8.1742 8.1752 8.8952 8.8965 8.9107 8.9173 9.1799 9.1864 9.5882 9.6746 9.8394 9.9011 9.9505 9.9703 12.7209 12.7342 12.8377 12.8378 12.9115 12.9183 14.8401 14.8416 k = 0.1000-0.0003-0.0003 ( 2756 PWs) bands (ev): -45.9288 -45.9288 -22.6474 -22.6469 -21.9953 -21.9950 -21.9904 -21.9902 -14.3991 -14.3990 -6.5029 -6.5011 -5.8315 -5.8299 -5.8272 -5.8262 -0.9292 -0.9272 0.9825 0.9829 0.9956 1.0009 7.8736 7.9009 8.0744 8.1004 8.1668 8.1680 8.8697 8.8708 8.8888 8.8946 9.1647 9.1715 9.5543 9.6391 9.8298 9.8898 9.9405 9.9609 12.7254 12.7391 12.8723 12.8726 12.9299 12.9368 14.8397 14.8414 k = 0.1125-0.0003-0.0003 ( 2756 PWs) bands (ev): -45.9288 -45.9288 -22.6478 -22.6472 -21.9961 -21.9958 -21.9904 -21.9902 -14.3962 -14.3962 -6.5050 -6.5030 -5.8303 -5.8290 -5.8254 -5.8239 -0.9239 -0.9217 0.9870 0.9873 1.0036 1.0094 7.8410 7.8686 8.0561 8.0823 8.1583 8.1596 8.8422 8.8431 8.8653 8.8700 9.1477 9.1546 9.5191 9.6008 9.8188 9.8772 9.9283 9.9482 12.7309 12.7444 12.9097 12.9111 12.9521 12.9595 14.8393 14.8412 k = 0.1250-0.0004-0.0004 ( 2754 PWs) bands (ev): -45.9287 -45.9287 -22.6482 -22.6476 -21.9971 -21.9966 -21.9905 -21.9902 -14.3931 -14.3930 -6.5078 -6.5056 -5.8289 -5.8280 -5.8230 -5.8209 -0.9180 -0.9157 0.9919 0.9922 1.0124 1.0187 7.8030 7.8297 8.0395 8.0649 8.1485 8.1499 8.8134 8.8136 8.8406 8.8439 9.1290 9.1358 9.4825 9.5603 9.8063 9.8634 9.9141 9.9324 12.7371 12.7501 12.9492 12.9527 12.9785 12.9873 14.8389 14.8410 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9287 -45.9287 -22.6487 -22.6480 -21.9981 -21.9975 -21.9904 -21.9902 -14.3897 -14.3896 -6.5111 -6.5088 -5.8276 -5.8269 -5.8197 -5.8170 -0.9118 -0.9092 0.9972 0.9975 1.0219 1.0288 7.7598 7.7848 8.0244 8.0481 8.1374 8.1390 8.7829 8.7835 8.8150 8.8167 9.1087 9.1154 9.4449 9.5178 9.7923 9.8486 9.8981 9.9139 12.7437 12.7561 12.9888 12.9959 13.0103 13.0217 14.8384 14.8407 k = 0.1500-0.0004-0.0004 ( 2757 PWs) bands (ev): -45.9287 -45.9287 -22.6492 -22.6485 -21.9992 -21.9986 -21.9904 -21.9903 -14.3861 -14.3860 -6.5153 -6.5128 -5.8263 -5.8259 -5.8154 -5.8123 -0.9051 -0.9023 1.0028 1.0031 1.0322 1.0395 7.7119 7.7348 8.0103 8.0318 8.1249 8.1267 8.7512 8.7528 8.7888 8.7888 9.0871 9.0936 9.4063 9.4736 9.7771 9.8328 9.8806 9.8931 12.7507 12.7622 13.0277 13.0363 13.0516 13.0635 14.8379 14.8404 k = 0.1625-0.0005-0.0005 ( 2751 PWs) bands (ev): -45.9286 -45.9286 -22.6497 -22.6489 -22.0003 -21.9996 -21.9904 -21.9902 -14.3823 -14.3822 -6.5202 -6.5176 -5.8251 -5.8247 -5.8101 -5.8067 -0.8980 -0.8950 1.0089 1.0092 1.0431 1.0509 7.6598 7.6805 7.9965 8.0158 8.1111 8.1130 8.7189 8.7217 8.7604 8.7623 9.0644 9.0705 9.3669 9.4279 9.7606 9.8160 9.8618 9.8706 12.7579 12.7684 13.0671 13.0752 13.1004 13.1109 14.8373 14.8400 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9286 -45.9286 -22.6502 -22.6495 -22.0015 -22.0008 -21.9903 -21.9902 -14.3782 -14.3781 -6.5259 -6.5232 -5.8238 -5.8235 -5.8037 -5.8001 -0.8906 -0.8874 1.0152 1.0155 1.0546 1.0628 7.6042 7.6228 7.9828 7.9999 8.0958 8.0979 8.6864 8.6905 8.7319 8.7359 9.0407 9.0464 9.3268 9.3812 9.7430 9.7983 9.8422 9.8469 12.7650 12.7747 13.1085 13.1165 13.1525 13.1620 14.8367 14.8396 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9286 -45.9286 -22.6508 -22.6500 -22.0028 -22.0021 -21.9903 -21.9902 -14.3740 -14.3739 -6.5325 -6.5297 -5.8225 -5.8223 -5.7963 -5.7925 -0.8829 -0.8796 1.0219 1.0222 1.0666 1.0752 7.5457 7.5623 7.9688 7.9839 8.0791 8.0814 8.6537 8.6594 8.7035 8.7096 9.0164 9.0216 9.2863 9.3336 9.7245 9.7795 9.8219 9.8225 12.7721 12.7809 13.1524 13.1605 13.2066 13.2154 14.8361 14.8392 k = 0.2000-0.0006-0.0006 ( 2755 PWs) bands (ev): -45.9285 -45.9285 -22.6514 -22.6506 -22.0042 -22.0034 -21.9902 -21.9901 -14.3697 -14.3695 -6.5398 -6.5370 -5.8212 -5.8210 -5.7879 -5.7839 -0.8750 -0.8715 1.0288 1.0291 1.0791 1.0880 7.4848 7.4998 7.9544 7.9676 8.0610 8.0634 8.6214 8.6286 8.6754 8.6837 8.9916 8.9963 9.2455 9.2855 9.7052 9.7595 9.7982 9.8013 12.7791 12.7872 13.1988 13.2072 13.2621 13.2706 14.8354 14.8387 k = 0.2125-0.0006-0.0006 ( 2750 PWs) bands (ev): -45.9285 -45.9285 -22.6520 -22.6512 -22.0055 -22.0046 -21.9901 -21.9900 -14.3652 -14.3651 -6.5480 -6.5451 -5.8198 -5.8197 -5.7784 -5.7743 -0.8669 -0.8633 1.0359 1.0362 1.0920 1.1012 7.4223 7.4356 7.9395 7.9510 8.0416 8.0441 8.5894 8.5984 8.6479 8.6584 8.9667 8.9708 9.2047 9.2374 9.6852 9.7381 9.7745 9.7807 12.7861 12.7934 13.2475 13.2561 13.3187 13.3270 14.8346 14.8381 k = 0.2250-0.0006-0.0006 ( 2745 PWs) bands (ev): -45.9284 -45.9284 -22.6526 -22.6517 -22.0068 -22.0060 -21.9900 -21.9899 -14.3606 -14.3605 -6.5569 -6.5540 -5.8185 -5.8183 -5.7680 -5.7638 -0.8587 -0.8550 1.0432 1.0435 1.1052 1.1146 7.3585 7.3704 7.9239 7.9338 8.0210 8.0236 8.5582 8.5689 8.6210 8.6337 8.9418 8.9452 9.1642 9.1895 9.6648 9.7152 9.7521 9.7601 12.7929 12.7995 13.2980 13.3069 13.3760 13.3842 14.8338 14.8375 k = 0.2375-0.0007-0.0007 ( 2749 PWs) bands (ev): -45.9284 -45.9284 -22.6532 -22.6524 -22.0082 -22.0073 -21.9900 -21.9899 -14.3560 -14.3558 -6.5664 -6.5636 -5.8171 -5.8170 -5.7568 -5.7526 -0.8505 -0.8466 1.0506 1.0509 1.1186 1.1282 7.2939 7.3047 7.9077 7.9162 7.9992 8.0019 8.5277 8.5402 8.5948 8.6095 8.9172 8.9198 9.1241 9.1424 9.6441 9.6912 9.7309 9.7397 12.7996 12.8056 13.3501 13.3591 13.4336 13.4417 14.8329 14.8368 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9284 -45.9284 -22.6538 -22.6530 -22.0096 -22.0087 -21.9899 -21.9898 -14.3513 -14.3511 -6.5765 -6.5737 -5.8157 -5.8156 -5.7447 -5.7405 -0.8422 -0.8383 1.0580 1.0583 1.1321 1.1419 7.2291 7.2388 7.8910 7.8981 7.9766 7.9793 8.4983 8.5123 8.5693 8.5860 8.8931 8.8947 9.0849 9.0964 9.6232 9.6664 9.7110 9.7198 12.8061 12.8117 13.4032 13.4124 13.4913 13.4994 14.8319 14.8360 k = 0.2625-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9283 -45.9283 -22.6545 -22.6536 -22.0109 -22.0101 -21.9898 -21.9897 -14.3466 -14.3464 -6.5871 -6.5843 -5.8144 -5.8143 -5.7320 -5.7279 -0.8339 -0.8299 1.0656 1.0659 1.1457 1.1556 7.1645 7.1733 7.8738 7.8796 7.9532 7.9559 8.4699 8.4855 8.5444 8.5629 8.8696 8.8702 9.0469 9.0521 9.6024 9.6414 9.6919 9.7003 12.8126 12.8176 13.4569 13.4662 13.5486 13.5567 14.8308 14.8351 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9283 -45.9283 -22.6551 -22.6542 -22.0123 -22.0114 -21.9897 -21.9897 -14.3419 -14.3418 -6.5980 -6.5954 -5.8130 -5.8129 -5.7188 -5.7147 -0.8257 -0.8217 1.0731 1.0734 1.1593 1.1692 7.1006 7.1085 7.8561 7.8608 7.9293 7.9320 8.4427 8.4597 8.5201 8.5403 8.8464 8.8469 9.0097 9.0102 9.5817 9.6166 9.6737 9.6815 12.8189 12.8235 13.5108 13.5201 13.6054 13.6134 14.8297 14.8341 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9282 -45.9282 -22.6557 -22.6549 -22.0137 -22.0128 -21.9897 -21.9896 -14.3373 -14.3371 -6.6092 -6.6066 -5.8117 -5.8116 -5.7051 -5.7011 -0.8176 -0.8136 1.0805 1.0808 1.1728 1.1827 7.0376 7.0448 7.8381 7.8418 7.9052 7.9078 8.4167 8.4350 8.4965 8.5179 8.8234 8.8252 8.9697 8.9751 9.5614 9.5923 9.6563 9.6632 12.8250 12.8292 13.5646 13.5737 13.6612 13.6691 14.8284 14.8330 k = 0.3000-0.0009-0.0009 ( 2751 PWs) bands (ev): -45.9282 -45.9282 -22.6563 -22.6555 -22.0150 -22.0141 -21.9896 -21.9895 -14.3327 -14.3326 -6.6205 -6.6181 -5.8103 -5.8103 -5.6913 -5.6874 -0.8097 -0.8058 1.0879 1.0882 1.1861 1.1959 6.9761 6.9826 7.8200 7.8227 7.8810 7.8836 8.3920 8.4114 8.4734 8.4958 8.8012 8.8045 8.9325 8.9420 9.5415 9.5687 9.6395 9.6457 12.8310 12.8349 13.6177 13.6267 13.7158 13.7237 14.8271 14.8318 k = 0.3125-0.0009-0.0009 ( 2753 PWs) bands (ev): -45.9282 -45.9282 -22.6569 -22.6561 -22.0163 -22.0154 -21.9895 -21.9895 -14.3283 -14.3282 -6.6318 -6.6295 -5.8091 -5.8090 -5.6773 -5.6735 -0.8020 -0.7981 1.0951 1.0954 1.1992 1.2088 6.9165 6.9224 7.8019 7.8037 7.8571 7.8595 8.3686 8.3888 8.4508 8.4737 8.7800 8.7849 8.8985 8.9109 9.5222 9.5461 9.6235 9.6290 12.8368 12.8403 13.6698 13.6786 13.7689 13.7767 14.8257 14.8304 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9281 -45.9281 -22.6575 -22.6567 -22.0175 -22.0167 -21.9895 -21.9894 -14.3240 -14.3238 -6.6431 -6.6408 -5.8078 -5.8078 -5.6633 -5.6597 -0.7946 -0.7908 1.1021 1.1024 1.2119 1.2212 6.8589 6.8643 7.7839 7.7849 7.8336 7.8358 8.3465 8.3675 8.4288 8.4517 8.7597 8.7664 8.8677 8.8822 9.5037 9.5244 9.6083 9.6131 12.8424 12.8456 13.7205 13.7291 13.8202 13.8279 14.8241 14.8290 k = 0.3375-0.0010-0.0010 ( 2754 PWs) bands (ev): -45.9281 -45.9281 -22.6580 -22.6573 -22.0186 -22.0179 -21.9894 -21.9893 -14.3198 -14.3197 -6.6540 -6.6519 -5.8066 -5.8066 -5.6495 -5.6461 -0.7875 -0.7838 1.1089 1.1091 1.2241 1.2332 6.8039 6.8088 7.7662 7.7666 7.8109 7.8128 8.3258 8.3473 8.4075 8.4299 8.7404 8.7489 8.8404 8.8559 9.4859 9.5039 9.5939 9.5981 12.8477 12.8507 13.7696 13.7777 13.8695 13.8771 14.8225 14.8274 k = 0.3500-0.0010-0.0010 ( 2758 PWs) bands (ev): -45.9281 -45.9281 -22.6586 -22.6579 -22.0198 -22.0190 -21.9893 -21.9893 -14.3158 -14.3157 -6.6647 -6.6627 -5.8055 -5.8055 -5.6361 -5.6329 -0.7807 -0.7772 1.1153 1.1156 1.2359 1.2446 6.7517 6.7561 7.7488 7.7490 7.7890 7.7907 8.3065 8.3282 8.3869 8.4082 8.7223 8.7324 8.8166 8.8321 9.4691 9.4846 9.5803 9.5840 12.8528 12.8555 13.8165 13.8243 13.9165 13.9239 14.8209 14.8257 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9280 -45.9280 -22.6591 -22.6584 -22.0208 -22.0201 -21.9892 -21.9892 -14.3121 -14.3120 -6.6748 -6.6730 -5.8044 -5.8044 -5.6231 -5.6201 -0.7743 -0.7709 1.1215 1.1217 1.2471 1.2553 6.7025 6.7065 7.7319 7.7324 7.7682 7.7696 8.2886 8.3103 8.3672 8.3869 8.7053 8.7170 8.7960 8.8110 9.4533 9.4666 9.5677 9.5709 12.8576 12.8601 13.8610 13.8684 13.9609 13.9682 14.8191 14.8239 k = 0.3750-0.0011-0.0011 ( 2764 PWs) bands (ev): -45.9280 -45.9280 -22.6596 -22.6590 -22.0218 -22.0212 -21.9892 -21.9892 -14.3086 -14.3085 -6.6845 -6.6828 -5.8034 -5.8034 -5.6108 -5.6080 -0.7683 -0.7651 1.1273 1.1275 1.2576 1.2653 6.6567 6.6603 7.7158 7.7166 7.7486 7.7498 8.2722 8.2937 8.3485 8.3662 8.6898 8.7026 8.7785 8.7923 9.4386 9.4499 9.5560 9.5588 12.8621 12.8643 13.9029 13.9098 14.0026 14.0095 14.8173 14.8220 k = 0.3875-0.0011-0.0011 ( 2765 PWs) bands (ev): -45.9280 -45.9280 -22.6600 -22.6594 -22.0227 -22.0221 -21.9892 -21.9891 -14.3053 -14.3052 -6.6935 -6.6920 -5.8025 -5.8025 -5.5992 -5.5967 -0.7628 -0.7598 1.1326 1.1328 1.2674 1.2745 6.6146 6.6178 7.7008 7.7018 7.7305 7.7314 8.2573 8.2783 8.3310 8.3464 8.6757 8.6892 8.7637 8.7761 9.4251 9.4346 9.5453 9.5478 12.8663 12.8683 13.9417 13.9481 14.0412 14.0478 14.8155 14.8201 k = 0.4000-0.0011-0.0011 ( 2761 PWs) bands (ev): -45.9280 -45.9280 -22.6603 -22.6598 -22.0235 -22.0229 -21.9891 -21.9891 -14.3023 -14.3023 -6.7018 -6.7004 -5.8017 -5.8016 -5.5884 -5.5861 -0.7577 -0.7550 1.1375 1.1377 1.2764 1.2829 6.5762 6.5791 7.6870 7.6881 7.7140 7.7146 8.2439 8.2641 8.3148 8.3278 8.6633 8.6768 8.7513 8.7622 9.4129 9.4208 9.5357 9.5378 12.8701 12.8719 13.9773 13.9831 14.0766 14.0828 14.8137 14.8181 k = 0.4125-0.0012-0.0012 ( 2758 PWs) bands (ev): -45.9279 -45.9279 -22.6607 -22.6602 -22.0242 -22.0237 -21.9890 -21.9890 -14.2997 -14.2996 -6.7092 -6.7081 -5.8009 -5.8009 -5.5786 -5.5766 -0.7531 -0.7507 1.1419 1.1421 1.2845 1.2904 6.5420 6.5445 7.6746 7.6757 7.6991 7.6995 8.2322 8.2512 8.3001 8.3106 8.6524 8.6655 8.7411 8.7504 9.4020 9.4085 9.5272 9.5289 12.8736 12.8751 14.0094 14.0146 14.1086 14.1143 14.8120 14.8160 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9279 -45.9279 -22.6609 -22.6606 -22.0248 -22.0244 -21.9890 -21.9890 -14.2973 -14.2972 -6.7159 -6.7149 -5.8002 -5.8002 -5.5699 -5.5682 -0.7491 -0.7470 1.1458 1.1460 1.2918 1.2969 6.5119 6.5140 7.6636 7.6646 7.6860 7.6862 8.2221 8.2396 8.2871 8.2952 8.6433 8.6554 8.7328 8.7406 9.3924 9.3978 9.5197 9.5212 12.8766 12.8779 14.0377 14.0422 14.1368 14.1420 14.8103 14.8140 k = 0.4375-0.0012-0.0012 ( 2760 PWs) bands (ev): -45.9279 -45.9279 -22.6612 -22.6609 -22.0253 -22.0250 -21.9890 -21.9889 -14.2953 -14.2952 -6.7215 -6.7207 -5.7997 -5.7996 -5.5624 -5.5609 -0.7456 -0.7438 1.1492 1.1493 1.2981 1.3024 6.4862 6.4880 7.6541 7.6550 7.6748 7.6748 8.2138 8.2293 8.2758 8.2819 8.6359 8.6465 8.7261 8.7325 9.3843 9.3885 9.5134 9.5145 12.8793 12.8803 14.0621 14.0659 14.1612 14.1657 14.8089 14.8121 k = 0.4500-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9279 -45.9279 -22.6614 -22.6611 -22.0257 -22.0254 -21.9889 -21.9889 -14.2936 -14.2936 -6.7262 -6.7256 -5.7992 -5.7992 -5.5561 -5.5549 -0.7427 -0.7413 1.1520 1.1521 1.3034 1.3069 6.4651 6.4665 7.6463 7.6469 7.6654 7.6655 8.2073 8.2204 8.2664 8.2707 8.6300 8.6389 8.7210 8.7260 9.3776 9.3809 9.5082 9.5091 12.8815 12.8823 14.0824 14.0855 14.1816 14.1853 14.8077 14.8104 k = 0.4625-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9279 -45.9279 -22.6615 -22.6613 -22.0260 -22.0258 -21.9889 -21.9889 -14.2923 -14.2923 -6.7299 -6.7294 -5.7988 -5.7988 -5.5511 -5.5502 -0.7404 -0.7393 1.1541 1.1542 1.3076 1.3103 6.4485 6.4496 7.6401 7.6406 7.6581 7.6582 8.2027 8.2129 8.2591 8.2619 8.6258 8.6327 8.7172 8.7210 9.3725 9.3749 9.5041 9.5048 12.8832 12.8838 14.0984 14.1007 14.1977 14.2006 14.8067 14.8088 k = 0.4750-0.0014-0.0013 ( 2752 PWs) bands (ev): -45.9279 -45.9279 -22.6616 -22.6615 -22.0262 -22.0261 -21.9889 -21.9889 -14.2913 -14.2913 -6.7325 -6.7322 -5.7985 -5.7985 -5.5474 -5.5468 -0.7387 -0.7379 1.1557 1.1558 1.3108 1.3126 6.4367 6.4374 7.6357 7.6360 7.6528 7.6530 8.1998 8.2069 8.2538 8.2555 8.6232 8.6279 8.7148 8.7173 9.3689 9.3705 9.5013 9.5017 12.8845 12.8849 14.1100 14.1116 14.2095 14.2115 14.8061 14.8076 k = 0.4875-0.0014-0.0014 ( 2756 PWs) bands (ev): -45.9279 -45.9279 -22.6617 -22.6616 -22.0264 -22.0263 -21.9889 -21.9889 -14.2908 -14.2908 -6.7341 -6.7339 -5.7984 -5.7984 -5.5451 -5.5448 -0.7375 -0.7372 1.1567 1.1567 1.3129 1.3138 6.4297 6.4300 7.6330 7.6332 7.6497 7.6498 8.1989 8.2025 8.2508 8.2516 8.6222 8.6245 8.7136 8.7148 9.3669 9.3677 9.4996 9.4998 12.8853 12.8855 14.1172 14.1180 14.2169 14.2178 14.8059 14.8066 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9279 -45.9279 -22.6616 -22.6616 -22.0264 -22.0264 -21.9889 -21.9889 -14.2906 -14.2906 -6.7346 -6.7346 -5.7983 -5.7983 -5.5443 -5.5443 -0.7370 -0.7370 1.1570 1.1570 1.3139 1.3139 6.4274 6.4274 7.6322 7.6322 7.6487 7.6487 8.1998 8.1998 8.2500 8.2500 8.6226 8.6226 8.7136 8.7136 9.3665 9.3665 9.4991 9.4991 12.8857 12.8857 14.1199 14.1199 14.2196 14.2196 14.8061 14.8061 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9279 -45.9279 -22.6616 -22.6616 -22.0264 -22.0264 -21.9889 -21.9889 -14.2906 -14.2906 -6.7346 -6.7346 -5.7983 -5.7983 -5.5443 -5.5443 -0.7370 -0.7370 1.1570 1.1570 1.3139 1.3139 6.4274 6.4274 7.6322 7.6322 7.6487 7.6487 8.1998 8.1998 8.2500 8.2500 8.6226 8.6226 8.7136 8.7136 9.3665 9.3665 9.4991 9.4991 12.8857 12.8857 14.1199 14.1199 14.2196 14.2196 14.8061 14.8061 k = 0.5000 0.0075-0.0103 ( 2752 PWs) bands (ev): -45.9279 -45.9279 -22.6617 -22.6616 -22.0264 -22.0263 -21.9890 -21.9888 -14.2905 -14.2905 -6.7339 -6.7337 -5.7984 -5.7980 -5.5447 -5.5445 -0.7385 -0.7360 1.1547 1.1591 1.3125 1.3140 6.4269 6.4274 7.6271 7.6337 7.6468 7.6530 8.1836 8.2007 8.2344 8.2554 8.6152 8.6453 8.7023 8.7357 9.3507 9.3652 9.4967 9.5121 12.8854 12.8877 14.1190 14.1203 14.2191 14.2203 14.8093 14.8104 k = 0.5000 0.0163-0.0192 ( 2752 PWs) bands (ev): -45.9278 -45.9278 -22.6618 -22.6616 -22.0265 -22.0263 -21.9892 -21.9889 -14.2901 -14.2901 -6.7318 -6.7313 -5.7982 -5.7974 -5.5460 -5.5455 -0.7402 -0.7352 1.1522 1.1611 1.3098 1.3128 6.4258 6.4269 7.6205 7.6298 7.6492 7.6577 8.1542 8.1815 8.2154 8.2512 8.6233 8.6791 8.7033 8.7666 9.3236 9.3468 9.5049 9.5297 12.8871 12.8917 14.1177 14.1202 14.2188 14.2210 14.8200 14.8220 k = 0.5000 0.0252-0.0281 ( 2750 PWs) bands (ev): -45.9278 -45.9278 -22.6619 -22.6617 -22.0266 -22.0264 -21.9894 -21.9890 -14.2895 -14.2895 -6.7281 -6.7274 -5.7977 -5.7965 -5.5479 -5.5473 -0.7423 -0.7348 1.1496 1.1629 1.3059 1.3104 6.4241 6.4259 7.6127 7.6230 7.6532 7.6621 8.1140 8.1421 8.1985 8.2400 8.6438 8.7077 8.7281 8.8040 9.2900 9.3170 9.5180 9.5474 12.8908 12.8976 14.1162 14.1197 14.2187 14.2218 14.8379 14.8410 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9278 -45.9278 -22.6621 -22.6618 -22.0267 -22.0264 -21.9898 -21.9892 -14.2887 -14.2887 -6.7229 -6.7219 -5.7969 -5.7954 -5.5505 -5.5497 -0.7448 -0.7348 1.1466 1.1643 1.3008 1.3067 6.4220 6.4243 7.6037 7.6147 7.6573 7.6662 8.0659 8.0918 8.1807 8.2240 8.6730 8.7288 8.7737 8.8456 9.2523 9.2809 9.5313 9.5630 12.8968 12.9057 14.1146 14.1189 14.2188 14.2227 14.8628 14.8668 k = 0.5000 0.0430-0.0459 ( 2748 PWs) bands (ev): -45.9278 -45.9278 -22.6624 -22.6619 -22.0268 -22.0265 -21.9902 -21.9895 -14.2877 -14.2877 -6.7162 -6.7150 -5.7959 -5.7940 -5.5538 -5.5528 -0.7477 -0.7353 1.1432 1.1652 1.2946 1.3021 6.4194 6.4222 7.5931 7.6050 7.6612 7.6698 8.0124 8.0361 8.1614 8.2051 8.7080 8.7557 8.8228 8.8896 9.2117 9.2410 9.5426 9.5755 12.9052 12.9161 14.1130 14.1180 14.2191 14.2235 14.8943 14.8993 k = 0.5000 0.0518-0.0548 ( 2748 PWs) bands (ev): -45.9278 -45.9278 -22.6626 -22.6621 -22.0270 -22.0265 -21.9907 -21.9899 -14.2865 -14.2864 -6.7080 -6.7066 -5.7946 -5.7923 -5.5578 -5.5565 -0.7510 -0.7362 1.1393 1.1654 1.2876 1.2964 6.4164 6.4197 7.5806 7.5936 7.6647 7.6730 7.9557 7.9780 8.1414 8.1849 8.7469 8.7877 8.8723 8.9345 9.1693 9.1989 9.5508 9.5842 12.9163 12.9290 14.1117 14.1171 14.2197 14.2245 14.9321 14.9379 k = 0.5000 0.0607-0.0637 ( 2746 PWs) bands (ev): -45.9278 -45.9278 -22.6629 -22.6623 -22.0272 -22.0266 -21.9912 -21.9903 -14.2850 -14.2850 -6.6984 -6.6967 -5.7931 -5.7904 -5.5623 -5.5609 -0.7549 -0.7377 1.1345 1.1644 1.2801 1.2901 6.4130 6.4168 7.5656 7.5801 7.6676 7.6754 7.8976 7.9197 8.1214 8.1643 8.7884 8.8237 8.9207 8.9783 9.1264 9.1567 9.5555 9.5891 12.9304 12.9447 14.1107 14.1164 14.2205 14.2256 14.9756 14.9821 k = 0.5000 0.0696-0.0726 ( 2750 PWs) bands (ev): -45.9278 -45.9278 -22.6633 -22.6626 -22.0274 -22.0268 -21.9919 -21.9909 -14.2833 -14.2833 -6.6873 -6.6854 -5.7913 -5.7883 -5.5674 -5.5658 -0.7593 -0.7398 1.1288 1.1620 1.2724 1.2831 6.4092 6.4135 7.5474 7.5636 7.6698 7.6771 7.8400 7.8629 8.1020 8.1441 8.8312 8.8622 8.9651 9.0166 9.0864 9.1191 9.5566 9.5900 12.9476 12.9634 14.1102 14.1160 14.2217 14.2269 15.0245 15.0316 k = 0.5000 0.0785-0.0815 ( 2750 PWs) bands (ev): -45.9277 -45.9277 -22.6637 -22.6629 -22.0276 -22.0269 -21.9926 -21.9915 -14.2814 -14.2814 -6.6748 -6.6727 -5.7892 -5.7859 -5.5729 -5.5711 -0.7643 -0.7426 1.1217 1.1577 1.2648 1.2757 6.4052 6.4099 7.5249 7.5429 7.6710 7.6777 7.7852 7.8093 8.0834 8.1247 8.8735 8.9006 8.9926 9.0275 9.0657 9.1074 9.5539 9.5869 12.9682 12.9853 14.1104 14.1162 14.2233 14.2285 15.0782 15.0859 k = 0.5000 0.0874-0.0905 ( 2752 PWs) bands (ev): -45.9277 -45.9277 -22.6641 -22.6632 -22.0279 -22.0271 -21.9934 -21.9922 -14.2793 -14.2793 -6.6609 -6.6586 -5.7869 -5.7832 -5.5789 -5.5769 -0.7700 -0.7461 1.1133 1.1509 1.2577 1.2682 6.4010 6.4061 7.4973 7.5166 7.6710 7.6771 7.7356 7.7604 8.0660 8.1064 8.9088 8.9262 8.9891 9.0059 9.0881 9.1357 9.5479 9.5803 12.9922 13.0104 14.1112 14.1169 14.2254 14.2306 15.1363 15.1445 k = 0.5000 0.0962-0.0994 ( 2744 PWs) bands (ev): -45.9277 -45.9277 -22.6645 -22.6636 -22.0281 -22.0273 -21.9943 -21.9929 -14.2771 -14.2770 -6.6456 -6.6431 -5.7844 -5.7803 -5.5852 -5.5831 -0.7764 -0.7505 1.1031 1.1415 1.2513 1.2606 6.3966 6.4021 7.4639 7.4832 7.6697 7.6742 7.6938 7.7176 8.0499 8.0894 8.9046 8.9136 9.0061 9.0127 9.1279 9.1750 9.5388 9.5703 13.0197 13.0388 14.1128 14.1183 14.2281 14.2332 15.1983 15.2070 k = 0.5000 0.1051-0.1083 ( 2744 PWs) bands (ev): -45.9276 -45.9276 -22.6650 -22.6640 -22.0284 -22.0275 -21.9952 -21.9937 -14.2746 -14.2746 -6.6290 -6.6262 -5.7816 -5.7772 -5.5919 -5.5895 -0.7837 -0.7557 1.0910 1.1291 1.2455 1.2533 6.3921 6.3979 7.4249 7.4427 7.6557 7.6668 7.6729 7.6820 8.0352 8.0739 8.8638 8.8787 9.0415 9.0551 9.1700 9.2157 9.5270 9.5574 13.0508 13.0706 14.1151 14.1205 14.2315 14.2365 15.2639 15.2729 k = 0.5000 0.1140-0.1172 ( 2742 PWs) bands (ev): -45.9276 -45.9276 -22.6655 -22.6644 -22.0287 -22.0277 -21.9961 -21.9946 -14.2720 -14.2719 -6.6111 -6.6081 -5.7786 -5.7739 -5.5987 -5.5962 -0.7918 -0.7619 1.0770 1.1142 1.2395 1.2465 6.3877 6.3936 7.3814 7.3966 7.6284 7.6490 7.6622 7.6686 8.0217 8.0596 8.8186 8.8343 9.0869 9.1016 9.2118 9.2558 9.5132 9.5423 13.0852 13.1056 14.1184 14.1235 14.2356 14.2405 15.3326 15.3419 k = 0.5000 0.1229-0.1261 ( 2742 PWs) bands (ev): -45.9276 -45.9276 -22.6660 -22.6649 -22.0290 -22.0280 -21.9972 -21.9955 -14.2692 -14.2691 -6.5919 -6.5887 -5.7754 -5.7704 -5.6056 -5.6030 -0.8008 -0.7691 1.0611 1.0967 1.2328 1.2405 6.3832 6.3893 7.3351 7.3474 7.6050 7.6225 7.6555 7.6611 8.0094 8.0467 8.7726 8.7875 9.1348 9.1496 9.2525 9.2949 9.4980 9.5255 13.1230 13.1438 14.1225 14.1274 14.2406 14.2453 15.4041 15.4136 k = 0.5000 0.1317-0.1350 ( 2744 PWs) bands (ev): -45.9275 -45.9275 -22.6666 -22.6654 -22.0293 -22.0282 -21.9983 -21.9965 -14.2662 -14.2662 -6.5715 -6.5682 -5.7719 -5.7667 -5.6127 -5.6099 -0.8107 -0.7773 1.0432 1.0772 1.2250 1.2350 6.3789 6.3850 7.2877 7.2972 7.5845 7.5988 7.6468 7.6518 7.9982 8.0350 8.7268 8.7405 9.1837 9.1984 9.2918 9.3323 9.4825 9.5079 13.1638 13.1849 14.1276 14.1322 14.2464 14.2510 15.4780 15.4877 k = 0.5000 0.1406-0.1439 ( 2744 PWs) bands (ev): -45.9275 -45.9275 -22.6672 -22.6659 -22.0296 -22.0285 -21.9994 -21.9976 -14.2631 -14.2630 -6.5499 -6.5464 -5.7683 -5.7628 -5.6197 -5.6168 -0.8216 -0.7866 1.0236 1.0558 1.2163 1.2293 6.3747 6.3807 7.2410 7.2478 7.5656 7.5769 7.6359 7.6404 7.9878 8.0242 8.6816 8.6937 9.2328 9.2474 9.3296 9.3675 9.4680 9.4904 13.2075 13.2287 14.1337 14.1380 14.2532 14.2576 15.5540 15.5638 k = 0.5000 0.1495-0.1528 ( 2750 PWs) bands (ev): -45.9274 -45.9274 -22.6678 -22.6665 -22.0300 -22.0288 -22.0007 -21.9987 -14.2598 -14.2598 -6.5272 -6.5236 -5.7645 -5.7587 -5.6266 -5.6236 -0.8335 -0.7969 1.0023 1.0328 1.2065 1.2227 6.3706 6.3765 7.1959 7.2003 7.5472 7.5560 7.6227 7.6270 7.9780 8.0143 8.6374 8.6477 9.2817 9.2964 9.3655 9.3977 9.4577 9.4748 13.2537 13.2750 14.1409 14.1449 14.2609 14.2652 15.6317 15.6416 k = 0.5000 0.1584-0.1617 ( 2750 PWs) bands (ev): -45.9274 -45.9274 -22.6685 -22.6671 -22.0304 -22.0292 -22.0019 -21.9998 -14.2565 -14.2564 -6.5034 -6.4996 -5.7605 -5.7545 -5.6334 -5.6303 -0.8464 -0.8084 0.9796 1.0085 1.1955 1.2149 6.3667 6.3723 7.1533 7.1557 7.5287 7.5356 7.6073 7.6115 7.9687 8.0050 8.5941 8.6026 9.3301 9.3451 9.3969 9.4145 9.4550 9.4702 13.3023 13.3235 14.1491 14.1529 14.2696 14.2738 15.7110 15.7209 k = 0.5000 0.1673-0.1706 ( 2750 PWs) bands (ev): -45.9273 -45.9273 -22.6692 -22.6677 -22.0307 -22.0295 -22.0032 -22.0010 -14.2530 -14.2529 -6.4787 -6.4747 -5.7564 -5.7501 -5.6400 -5.6368 -0.8603 -0.8209 0.9555 0.9829 1.1831 1.2056 6.3630 6.3682 7.1135 7.1153 7.5092 7.5154 7.5897 7.5942 7.9597 7.9962 8.5520 8.5585 9.3771 9.3922 9.4075 9.4245 9.4574 9.4921 13.3529 13.3739 14.1584 14.1620 14.2793 14.2834 15.7914 15.8013 k = 0.5000 0.1761-0.1795 ( 2748 PWs) bands (ev): -45.9273 -45.9273 -22.6698 -22.6684 -22.0311 -22.0298 -22.0045 -22.0023 -14.2494 -14.2493 -6.4529 -6.4488 -5.7521 -5.7456 -5.6463 -5.6430 -0.8752 -0.8346 0.9303 0.9564 1.1692 1.1944 6.3595 6.3641 7.0766 7.0799 7.4881 7.4950 7.5703 7.5751 7.9509 7.9879 8.5108 8.5155 9.3998 9.4162 9.4298 9.4419 9.4820 9.5225 13.4051 13.4260 14.1689 14.1722 14.2900 14.2940 15.8727 15.8825 k = 0.5000 0.1850-0.1884 ( 2750 PWs) bands (ev): -45.9272 -45.9272 -22.6705 -22.6690 -22.0315 -22.0302 -22.0058 -22.0035 -14.2457 -14.2456 -6.4263 -6.4220 -5.7476 -5.7410 -5.6522 -5.6489 -0.8911 -0.8493 0.9040 0.9289 1.1534 1.1813 6.3560 6.3601 7.0438 7.0492 7.4652 7.4738 7.5491 7.5546 7.9424 7.9800 8.4706 8.4734 9.3959 9.4141 9.4715 9.4860 9.5147 9.5547 13.4587 13.4793 14.1805 14.1836 14.3016 14.3056 15.9546 15.9644 k = 0.5000 0.1939-0.1973 ( 2746 PWs) bands (ev): -45.9272 -45.9272 -22.6712 -22.6697 -22.0318 -22.0305 -22.0071 -22.0048 -14.2419 -14.2419 -6.3988 -6.3945 -5.7431 -5.7363 -5.6577 -5.6544 -0.9080 -0.8651 0.8768 0.9007 1.1356 1.1659 6.3526 6.3560 7.0155 7.0234 7.4404 7.4512 7.5267 7.5330 7.9341 7.9725 8.4313 8.4325 9.3944 9.4112 9.5145 9.5266 9.5512 9.5877 13.5134 13.5336 14.1933 14.1961 14.3142 14.3181 16.0369 16.0465 k = 0.5000 0.2028-0.2062 ( 2746 PWs) bands (ev): -45.9271 -45.9271 -22.6720 -22.6704 -22.0322 -22.0308 -22.0085 -22.0062 -14.2381 -14.2380 -6.3705 -6.3661 -5.7385 -5.7315 -5.6627 -5.6595 -0.9258 -0.8820 0.8489 0.8718 1.1158 1.1483 6.3491 6.3518 6.9921 7.0025 7.4136 7.4266 7.5032 7.5107 7.9260 7.9654 8.3922 8.3936 9.3966 9.4117 9.5553 9.5620 9.5919 9.6216 13.5689 13.5886 14.2072 14.2098 14.3278 14.3316 16.1192 16.1287 k = 0.5000 0.2117-0.2151 ( 2756 PWs) bands (ev): -45.9271 -45.9271 -22.6728 -22.6712 -22.0326 -22.0312 -22.0100 -22.0076 -14.2342 -14.2342 -6.3416 -6.3371 -5.7338 -5.7266 -5.6673 -5.6640 -0.9445 -0.8998 0.8204 0.8424 1.0938 1.1283 6.3454 6.3475 6.9736 6.9867 7.3848 7.4000 7.4790 7.4880 7.9182 7.9586 8.3537 8.3564 9.4028 9.4163 9.5921 9.5952 9.6343 9.6565 13.6248 13.6441 14.2222 14.2247 14.3422 14.3459 16.2012 16.2106 k = 0.5000 0.2205-0.2240 ( 2748 PWs) bands (ev): -45.9270 -45.9270 -22.6735 -22.6718 -22.0330 -22.0316 -22.0114 -22.0089 -14.2303 -14.2302 -6.3121 -6.3075 -5.7290 -5.7217 -5.6712 -5.6680 -0.9640 -0.9185 0.7914 0.8126 1.0696 1.1059 6.3414 6.3430 6.9599 6.9759 7.3542 7.3714 7.4540 7.4649 7.9106 7.9522 8.3166 8.3207 9.4132 9.4252 9.6230 9.6297 9.6768 9.6926 13.6809 13.6997 14.2384 14.2407 14.3574 14.3611 16.2826 16.2919 k = 0.5000 0.2294-0.2329 ( 2746 PWs) bands (ev): -45.9270 -45.9270 -22.6742 -22.6726 -22.0334 -22.0320 -22.0128 -22.0103 -14.2263 -14.2263 -6.2820 -6.2774 -5.7242 -5.7168 -5.6745 -5.6715 -0.9843 -0.9382 0.7620 0.7825 1.0432 1.0810 6.3368 6.3384 6.9508 6.9699 7.3222 7.3414 7.4284 7.4415 7.9033 7.9461 8.2813 8.2867 9.4278 9.4384 9.6520 9.6623 9.7184 9.7294 13.7369 13.7552 14.2557 14.2578 14.3734 14.3771 16.3631 16.3723 k = 0.5000 0.2383-0.2418 ( 2744 PWs) bands (ev): -45.9269 -45.9269 -22.6750 -22.6733 -22.0338 -22.0323 -22.0142 -22.0117 -14.2223 -14.2223 -6.2514 -6.2468 -5.7195 -5.7120 -5.6771 -5.6742 -1.0053 -0.9586 0.7324 0.7523 1.0146 1.0538 6.3317 6.3335 6.9460 6.9684 7.2895 7.3106 7.4019 7.4176 7.8962 7.9403 8.2481 8.2547 9.4464 9.4556 9.6802 9.6928 9.7589 9.7665 13.7925 13.8103 14.2740 14.2759 14.3902 14.3938 16.4423 16.4513 k = 0.5000 0.2472-0.2507 ( 2740 PWs) bands (ev): -45.9269 -45.9269 -22.6757 -22.6740 -22.0342 -22.0327 -22.0156 -22.0131 -14.2183 -14.2183 -6.2205 -6.2158 -5.7148 -5.7072 -5.6789 -5.6763 -1.0269 -0.9798 0.7026 0.7219 0.9839 1.0244 6.3259 6.3281 6.9446 6.9704 7.2571 7.2802 7.3744 7.3932 7.8892 7.9346 8.2174 8.2251 9.4686 9.4767 9.7077 9.7218 9.7980 9.8032 13.8476 13.8648 14.2933 14.2951 14.4076 14.4111 16.5197 16.5287 k = 0.5000 0.2560-0.2596 ( 2736 PWs) bands (ev): -45.9268 -45.9268 -22.6765 -22.6748 -22.0345 -22.0331 -22.0170 -22.0145 -14.2144 -14.2143 -6.1893 -6.1846 -5.7104 -5.7027 -5.6798 -5.6776 -1.0491 -1.0017 0.6728 0.6915 0.9512 0.9927 6.3196 6.3222 6.9455 6.9747 7.2262 7.2514 7.3458 7.3682 7.8823 7.9290 8.1897 8.1982 9.4943 9.5013 9.7347 9.7497 9.8357 9.8392 13.9019 13.9185 14.3136 14.3152 14.4256 14.4291 16.5949 16.6039 k = 0.5000 0.2649-0.2685 ( 2742 PWs) bands (ev): -45.9267 -45.9267 -22.6772 -22.6756 -22.0349 -22.0335 -22.0184 -22.0159 -14.2104 -14.2104 -6.1580 -6.1532 -5.7061 -5.6984 -5.6799 -5.6781 -1.0719 -1.0242 0.6431 0.6612 0.9168 0.9591 6.3126 6.3155 6.9472 6.9793 7.1985 7.2261 7.3158 7.3429 7.8756 7.9234 8.1652 8.1744 9.5230 9.5291 9.7614 9.7767 9.8719 9.8741 13.9553 13.9711 14.3347 14.3362 14.4440 14.4475 16.6673 16.6765 k = 0.5000 0.2738-0.2774 ( 2746 PWs) bands (ev): -45.9267 -45.9267 -22.6780 -22.6763 -22.0353 -22.0339 -22.0198 -22.0173 -14.2065 -14.2065 -6.1265 -6.1218 -5.7022 -5.6945 -5.6791 -5.6773 -1.0950 -1.0473 0.6136 0.6312 0.8807 0.9237 6.3049 6.3081 6.9475 6.9809 7.1763 7.2070 7.2846 7.3181 7.8691 7.9178 8.1441 8.1539 9.5544 9.5597 9.7877 9.8030 9.9065 9.9079 14.0074 14.0226 14.3567 14.3579 14.4630 14.4664 16.7362 16.7458 k = 0.5000 0.2827-0.2863 ( 2748 PWs) bands (ev): -45.9266 -45.9266 -22.6788 -22.6771 -22.0357 -22.0343 -22.0212 -22.0187 -14.2026 -14.2026 -6.0950 -6.0903 -5.6987 -5.6911 -5.6775 -5.6754 -1.1185 -1.0708 0.5843 0.6014 0.8433 0.8868 6.2965 6.2998 6.9438 6.9761 7.1608 7.1970 7.2520 7.2952 7.8629 7.9124 8.1266 8.1366 9.5882 9.5927 9.8138 9.8289 9.9393 9.9404 14.0582 14.0726 14.3793 14.3804 14.4822 14.4856 16.8010 16.8111 k = 0.5000 0.2916-0.2952 ( 2744 PWs) bands (ev): -45.9266 -45.9266 -22.6795 -22.6778 -22.0361 -22.0347 -22.0225 -22.0201 -14.1988 -14.1988 -6.0636 -6.0590 -5.6955 -5.6882 -5.6752 -5.6723 -1.1422 -1.0946 0.5555 0.5720 0.8047 0.8485 6.2873 6.2906 6.9345 6.9631 7.1498 7.1987 7.2184 7.2774 7.8572 7.9073 8.1125 8.1226 9.6239 9.6277 9.8396 9.8545 9.9704 9.9717 14.1074 14.1212 14.4026 14.4036 14.5018 14.5050 16.8608 16.8717 k = 0.5000 0.3004-0.3041 ( 2744 PWs) bands (ev): -45.9265 -45.9265 -22.6802 -22.6786 -22.0365 -22.0351 -22.0239 -22.0214 -14.1951 -14.1951 -6.0324 -6.0279 -5.6925 -5.6854 -5.6720 -5.6686 -1.1661 -1.1187 0.5271 0.5432 0.7652 0.8091 6.2772 6.2805 6.9194 6.9431 7.1375 7.1835 7.2121 7.2697 7.8523 7.9027 8.1017 8.1116 9.6613 9.6645 9.8653 9.8797 9.9998 10.0015 14.1550 14.1680 14.4264 14.4272 14.5215 14.5247 16.9146 16.9266 k = 0.5000 0.3093-0.3130 ( 2746 PWs) bands (ev): -45.9265 -45.9265 -22.6809 -22.6793 -22.0368 -22.0355 -22.0252 -22.0227 -14.1914 -14.1914 -6.0015 -5.9971 -5.6895 -5.6827 -5.6683 -5.6644 -1.1900 -1.1431 0.4993 0.5148 0.7251 0.7689 6.2661 6.2693 6.8998 6.9188 7.1188 7.1480 7.2335 7.2756 7.8483 7.8990 8.0937 8.1033 9.6999 9.7025 9.8909 9.9048 10.0277 10.0297 14.2007 14.2129 14.4507 14.4513 14.5413 14.5444 16.9616 16.9751 k = 0.5000 0.3182-0.3219 ( 2740 PWs) bands (ev): -45.9264 -45.9264 -22.6816 -22.6800 -22.0372 -22.0359 -22.0264 -22.0240 -14.1878 -14.1878 -5.9711 -5.9668 -5.6863 -5.6798 -5.6642 -5.6601 -1.2138 -1.1675 0.4722 0.4872 0.6846 0.7283 6.2540 6.2570 6.8775 6.8928 7.0936 7.1121 7.2602 7.2940 7.8456 7.8966 8.0881 8.0974 9.7395 9.7416 9.9164 9.9297 10.0540 10.0564 14.2445 14.2559 14.4753 14.4758 14.5611 14.5640 17.0006 17.0161 k = 0.5000 0.3271-0.3308 ( 2740 PWs) bands (ev): -45.9264 -45.9264 -22.6822 -22.6807 -22.0375 -22.0363 -22.0276 -22.0253 -14.1844 -14.1844 -5.9411 -5.9370 -5.6829 -5.6767 -5.6598 -5.6557 -1.2375 -1.1919 0.4458 0.4603 0.6442 0.6873 6.2409 6.2437 6.8541 6.8664 7.0640 7.0759 7.2900 7.3211 7.8444 7.8958 8.0847 8.0937 9.7797 9.7813 9.9418 9.9545 10.0787 10.0815 14.2863 14.2968 14.5002 14.5005 14.5807 14.5836 17.0310 17.0489 k = 0.5000 0.3359-0.3397 ( 2750 PWs) bands (ev): -45.9263 -45.9263 -22.6829 -22.6815 -22.0379 -22.0367 -22.0288 -22.0265 -14.1810 -14.1810 -5.9118 -5.9078 -5.6793 -5.6733 -5.6554 -5.6513 -1.2609 -1.2162 0.4203 0.4342 0.6039 0.6464 6.2267 6.2293 6.8308 6.8409 7.0321 7.0397 7.3216 7.3533 7.8450 7.8968 8.0829 8.0916 9.8201 9.8213 9.9671 9.9792 10.1019 10.1050 14.3259 14.3356 14.5252 14.5253 14.6002 14.6030 17.0523 17.0731 k = 0.5000 0.3448-0.3486 ( 2744 PWs) bands (ev): -45.9263 -45.9263 -22.6835 -22.6821 -22.0382 -22.0370 -22.0299 -22.0277 -14.1778 -14.1778 -5.8832 -5.8794 -5.6753 -5.6696 -5.6509 -5.6469 -1.2840 -1.2403 0.3957 0.4089 0.5642 0.6058 6.2115 6.2138 6.8084 6.8167 6.9991 7.0040 7.3542 7.3881 7.8477 7.8998 8.0825 8.0911 9.8606 9.8613 9.9923 10.0038 10.1236 10.1270 14.3633 14.3721 14.5500 14.5502 14.6194 14.6221 17.0647 17.0884 k = 0.5000 0.3537-0.3576 ( 2738 PWs) bands (ev): -45.9262 -45.9262 -22.6841 -22.6827 -22.0384 -22.0374 -22.0309 -22.0288 -14.1747 -14.1747 -5.8554 -5.8519 -5.6712 -5.6657 -5.6465 -5.6426 -1.3065 -1.2640 0.3720 0.3847 0.5252 0.5658 6.1954 6.1975 6.7873 6.7942 6.9658 6.9690 7.3870 7.4234 7.8527 7.9051 8.0832 8.0917 9.9006 9.9011 10.0175 10.0282 10.1438 10.1475 14.3984 14.4063 14.5746 14.5750 14.6382 14.6408 17.0688 17.0955 k = 0.5000 0.3626-0.3665 ( 2746 PWs) bands (ev): -45.9262 -45.9262 -22.6847 -22.6834 -22.0388 -22.0378 -22.0319 -22.0299 -14.1717 -14.1717 -5.8286 -5.8255 -5.6668 -5.6615 -5.6421 -5.6384 -1.3284 -1.2873 0.3495 0.3615 0.4873 0.5267 6.1785 6.1803 6.7678 6.7736 6.9329 6.9350 7.4191 7.4580 7.8603 7.9127 8.0848 8.0932 9.9399 9.9404 10.0424 10.0525 10.1626 10.1666 14.4313 14.4382 14.5989 14.5995 14.6565 14.6590 17.0659 17.0954 k = 0.5000 0.3715-0.3754 ( 2746 PWs) bands (ev): -45.9261 -45.9261 -22.6852 -22.6840 -22.0390 -22.0381 -22.0329 -22.0309 -14.1689 -14.1689 -5.8029 -5.8001 -5.6623 -5.6573 -5.6378 -5.6343 -1.3496 -1.3101 0.3280 0.3394 0.4507 0.4887 6.1610 6.1626 6.7500 6.7550 6.9007 6.9022 7.4499 7.4907 7.8707 7.9226 8.0870 8.0955 9.9782 9.9790 10.0670 10.0766 10.1799 10.1843 14.4618 14.4678 14.6227 14.6235 14.6743 14.6766 17.0574 17.0892 k = 0.5000 0.3803-0.3843 ( 2744 PWs) bands (ev): -45.9261 -45.9261 -22.6857 -22.6845 -22.0393 -22.0385 -22.0337 -22.0319 -14.1662 -14.1662 -5.7784 -5.7759 -5.6577 -5.6529 -5.6336 -5.6304 -1.3699 -1.3322 0.3078 0.3185 0.4156 0.4520 6.1432 6.1446 6.7341 6.7384 6.8696 6.8709 7.4787 7.5206 7.8840 7.9346 8.0897 8.0983 10.0153 10.0164 10.0913 10.1003 10.1959 10.2006 14.4900 14.4952 14.6458 14.6467 14.6914 14.6936 17.0449 17.0786 k = 0.5000 0.3892-0.3932 ( 2748 PWs) bands (ev): -45.9261 -45.9261 -22.6862 -22.6851 -22.0396 -22.0388 -22.0345 -22.0328 -14.1637 -14.1637 -5.7551 -5.7532 -5.6530 -5.6485 -5.6295 -5.6266 -1.3893 -1.3535 0.2888 0.2988 0.3823 0.4169 6.1253 6.1264 6.7200 6.7237 6.8399 6.8412 7.5053 7.5471 7.9002 7.9487 8.0927 8.1015 10.0509 10.0524 10.1151 10.1236 10.2105 10.2156 14.5159 14.5204 14.6680 14.6691 14.7078 14.7099 17.0300 17.0651 k = 0.5000 0.3981-0.4021 ( 2752 PWs) bands (ev): -45.9260 -45.9260 -22.6866 -22.6856 -22.0399 -22.0392 -22.0353 -22.0337 -14.1614 -14.1614 -5.7333 -5.7319 -5.6484 -5.6440 -5.6255 -5.6230 -1.4076 -1.3738 0.2711 0.2804 0.3510 0.3836 6.1075 6.1084 6.7076 6.7108 6.8119 6.8133 7.5292 7.5701 7.9189 7.9643 8.0959 8.1050 10.0847 10.0866 10.1382 10.1464 10.2238 10.2293 14.5396 14.5434 14.6892 14.6904 14.7233 14.7253 17.0140 17.0500 k = 0.5000 0.4070-0.4110 ( 2752 PWs) bands (ev): -45.9260 -45.9260 -22.6870 -22.6861 -22.0401 -22.0395 -22.0359 -22.0345 -14.1592 -14.1592 -5.7131 -5.7122 -5.6439 -5.6396 -5.6217 -5.6195 -1.4246 -1.3932 0.2548 0.2633 0.3219 0.3522 6.0901 6.0909 6.6968 6.6995 6.7858 6.7872 7.5505 7.5893 7.9397 7.9811 8.0992 8.1086 10.1166 10.1189 10.1605 10.1684 10.2359 10.2419 14.5612 14.5642 14.7092 14.7105 14.7380 14.7398 16.9981 17.0344 k = 0.5000 0.4158-0.4199 ( 2752 PWs) bands (ev): -45.9260 -45.9260 -22.6874 -22.6865 -22.0403 -22.0399 -22.0364 -22.0352 -14.1573 -14.1573 -5.6948 -5.6940 -5.6396 -5.6351 -5.6181 -5.6162 -1.4403 -1.4114 0.2399 0.2476 0.2950 0.3230 6.0735 6.0740 6.6874 6.6898 6.7618 6.7632 7.5691 7.6051 7.9618 7.9985 8.1025 8.1123 10.1462 10.1489 10.1819 10.1895 10.2467 10.2532 14.5806 14.5831 14.7278 14.7290 14.7516 14.7534 16.9832 17.0194 k = 0.5000 0.4247-0.4288 ( 2750 PWs) bands (ev): -45.9259 -45.9259 -22.6877 -22.6869 -22.0406 -22.0402 -22.0369 -22.0358 -14.1555 -14.1555 -5.6789 -5.6773 -5.6354 -5.6305 -5.6146 -5.6131 -1.4546 -1.4283 0.2264 0.2333 0.2707 0.2962 6.0578 6.0582 6.6795 6.6815 6.7399 6.7413 7.5853 7.6178 7.9844 8.0159 8.1057 8.1159 10.1732 10.1765 10.2021 10.2094 10.2563 10.2634 14.5979 14.5999 14.7448 14.7460 14.7643 14.7658 16.9701 17.0055 k = 0.5000 0.4336-0.4377 ( 2746 PWs) bands (ev): -45.9259 -45.9259 -22.6880 -22.6873 -22.0408 -22.0405 -22.0373 -22.0363 -14.1539 -14.1539 -5.6653 -5.6625 -5.6313 -5.6256 -5.6114 -5.6102 -1.4673 -1.4438 0.2145 0.2205 0.2490 0.2718 6.0433 6.0436 6.6727 6.6744 6.7203 6.7216 7.5991 7.6279 8.0066 8.0326 8.1088 8.1193 10.1974 10.2012 10.2209 10.2281 10.2648 10.2726 14.6131 14.6147 14.7601 14.7612 14.7758 14.7771 16.9594 16.9932 k = 0.5000 0.4425-0.4466 ( 2744 PWs) bands (ev): -45.9259 -45.9259 -22.6882 -22.6876 -22.0410 -22.0408 -22.0376 -22.0368 -14.1525 -14.1525 -5.6542 -5.6502 -5.6272 -5.6204 -5.6084 -5.6075 -1.4784 -1.4578 0.2040 0.2092 0.2300 0.2500 6.0301 6.0304 6.6670 6.6685 6.7030 6.7043 7.6109 7.6358 8.0278 8.0482 8.1116 8.1225 10.2186 10.2229 10.2383 10.2451 10.2723 10.2808 14.6264 14.6276 14.7736 14.7746 14.7861 14.7873 16.9514 16.9827 k = 0.5000 0.4514-0.4555 ( 2760 PWs) bands (ev): -45.9259 -45.9259 -22.6885 -22.6880 -22.0412 -22.0411 -22.0379 -22.0373 -14.1513 -14.1513 -5.6457 -5.6408 -5.6224 -5.6150 -5.6057 -5.6048 -1.4878 -1.4702 0.1952 0.1994 0.2139 0.2310 6.0186 6.0187 6.6624 6.6636 6.6882 6.6893 7.6208 7.6417 8.0471 8.0620 8.1142 8.1254 10.2364 10.2412 10.2540 10.2602 10.2788 10.2881 14.6376 14.6386 14.7852 14.7859 14.7952 14.7961 16.9464 16.9738 k = 0.5000 0.4602-0.4644 ( 2764 PWs) bands (ev): -45.9259 -45.9259 -22.6887 -22.6882 -22.0414 -22.0414 -22.0381 -22.0376 -14.1503 -14.1503 -5.6394 -5.6347 -5.6170 -5.6098 -5.6033 -5.6023 -1.4954 -1.4809 0.1879 0.1911 0.2007 0.2148 6.0088 6.0089 6.6587 6.6597 6.6759 6.6768 7.6291 7.6459 8.0640 8.0739 8.1165 8.1278 10.2509 10.2561 10.2676 10.2729 10.2849 10.2944 14.6470 14.6477 14.7947 14.7952 14.8031 14.8037 16.9443 16.9662 k = 0.5000 0.4691-0.4733 ( 2780 PWs) bands (ev): -45.9259 -45.9259 -22.6888 -22.6885 -22.0417 -22.0416 -22.0383 -22.0379 -14.1495 -14.1495 -5.6350 -5.6311 -5.6117 -5.6057 -5.6008 -5.5998 -1.5011 -1.4899 0.1823 0.1845 0.1905 0.2014 6.0009 6.0009 6.6559 6.6566 6.6661 6.6669 7.6358 7.6487 8.0780 8.0835 8.1188 8.1295 10.2622 10.2674 10.2787 10.2823 10.2913 10.2997 14.6543 14.6548 14.8022 14.8025 14.8095 14.8099 16.9447 16.9592 k = 0.5000 0.4780-0.4822 ( 2796 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6888 -22.0419 -22.0419 -22.0385 -22.0382 -14.1489 -14.1489 -5.6319 -5.6292 -5.6074 -5.6035 -5.5981 -5.5975 -1.5049 -1.4970 0.1783 0.1794 0.1833 0.1911 5.9950 5.9950 6.6538 6.6544 6.6589 6.6595 7.6412 7.6501 8.0885 8.0907 8.1213 8.1302 10.2704 10.2750 10.2869 10.2884 10.2979 10.3039 14.6597 14.6601 14.8076 14.8077 14.8145 14.8147 16.9468 16.9551 k = 0.5000 0.4869-0.4911 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6889 -22.0420 -22.0420 -22.0385 -22.0384 -14.1485 -14.1485 -5.6298 -5.6283 -5.6046 -5.6025 -5.5958 -5.5957 -1.5068 -1.5023 0.1758 0.1762 0.1792 0.1838 5.9911 5.9911 6.6525 6.6528 6.6544 6.6547 7.6453 7.6504 8.0950 8.0955 8.1240 8.1299 10.2760 10.2789 10.2920 10.2923 10.3033 10.3065 14.6633 14.6635 14.8110 14.8111 14.8178 14.8179 16.9472 16.9487 k = 0.5000 0.4958-0.5000 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1484 -14.1484 -5.6286 -5.6282 -5.6030 -5.6025 -5.5947 -5.5947 -1.5067 -1.5056 0.1747 0.1747 0.1783 0.1794 5.9893 5.9894 6.6517 6.6517 6.6528 6.6528 7.6482 7.6494 8.0977 8.0978 8.1268 8.1283 10.2791 10.2799 10.2942 10.2942 10.3064 10.3072 14.6649 14.6649 14.8126 14.8126 14.8193 14.8193 16.9466 16.9466 k = 0.5028 0.4986 0.4943 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1484 -14.1484 -5.6286 -5.6282 -5.6030 -5.6025 -5.5947 -5.5947 -1.5067 -1.5056 0.1747 0.1747 0.1783 0.1794 5.9893 5.9894 6.6517 6.6517 6.6528 6.6528 7.6482 7.6494 8.0977 8.0978 8.1268 8.1283 10.2791 10.2799 10.2942 10.2942 10.3064 10.3072 14.6649 14.6649 14.8126 14.8126 14.8193 14.8193 16.9466 16.9466 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1483 -14.1483 -5.6284 -5.6284 -5.6027 -5.6027 -5.5946 -5.5946 -1.5062 -1.5062 0.1746 0.1746 0.1787 0.1787 5.9892 5.9892 6.6516 6.6516 6.6527 6.6527 7.6489 7.6489 8.0979 8.0979 8.1276 8.1276 10.2796 10.2796 10.2944 10.2944 10.3069 10.3069 14.6650 14.6650 14.8126 14.8126 14.8194 14.8194 16.9465 16.9466 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1483 -14.1483 -5.6284 -5.6284 -5.6027 -5.6027 -5.5946 -5.5946 -1.5062 -1.5062 0.1746 0.1746 0.1787 0.1787 5.9892 5.9892 6.6516 6.6516 6.6527 6.6527 7.6489 7.6489 8.0979 8.0979 8.1276 8.1276 10.2796 10.2796 10.2944 10.2944 10.3069 10.3069 14.6650 14.6650 14.8126 14.8126 14.8194 14.8194 16.9465 16.9466 k = 0.4926 0.4912 0.4899 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1485 -14.1485 -5.6290 -5.6290 -5.6034 -5.6034 -5.5948 -5.5948 -1.5052 -1.5052 0.1754 0.1754 0.1803 0.1803 5.9906 5.9906 6.6524 6.6524 6.6534 6.6535 7.6484 7.6484 8.0976 8.0977 8.1257 8.1257 10.2781 10.2781 10.2927 10.2928 10.3062 10.3062 14.6642 14.6642 14.8116 14.8117 14.8184 14.8184 16.9485 16.9491 k = 0.4853 0.4839 0.4825 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6889 -22.6889 -22.0419 -22.0419 -22.0384 -22.0384 -14.1488 -14.1488 -5.6311 -5.6311 -5.6053 -5.6053 -5.5955 -5.5955 -1.5022 -1.5022 0.1778 0.1778 0.1852 0.1852 5.9945 5.9945 6.6546 6.6546 6.6556 6.6558 7.6469 7.6469 8.0969 8.0970 8.1203 8.1203 10.2735 10.2735 10.2878 10.2879 10.3040 10.3040 14.6618 14.6618 14.8086 14.8088 14.8155 14.8155 16.9552 16.9564 k = 0.4779 0.4766 0.4752 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6888 -22.6888 -22.0418 -22.0418 -22.0383 -22.0383 -14.1493 -14.1493 -5.6349 -5.6349 -5.6081 -5.6081 -5.5965 -5.5965 -1.4973 -1.4973 0.1818 0.1818 0.1933 0.1933 6.0011 6.0011 6.6583 6.6583 6.6593 6.6596 7.6443 7.6443 8.0957 8.0959 8.1113 8.1113 10.2658 10.2658 10.2797 10.2799 10.3003 10.3003 14.6577 14.6577 14.8035 14.8039 14.8105 14.8105 16.9664 16.9682 k = 0.4706 0.4693 0.4679 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6887 -22.6887 -22.0416 -22.0416 -22.0381 -22.0381 -14.1501 -14.1501 -5.6407 -5.6407 -5.6114 -5.6114 -5.5979 -5.5979 -1.4904 -1.4904 0.1873 0.1873 0.2047 0.2047 6.0103 6.0103 6.6635 6.6635 6.6646 6.6648 7.6407 7.6407 8.0940 8.0943 8.0990 8.0990 10.2550 10.2550 10.2685 10.2688 10.2955 10.2955 14.6521 14.6521 14.7966 14.7971 14.8036 14.8036 16.9819 16.9842 k = 0.4632 0.4619 0.4606 ( 2770 PWs) bands (ev): -45.9259 -45.9259 -22.6883 -22.6883 -22.0413 -22.0413 -22.0377 -22.0377 -14.1510 -14.1510 -5.6487 -5.6487 -5.6150 -5.6150 -5.5997 -5.5997 -1.4817 -1.4817 0.1944 0.1944 0.2191 0.2191 6.0221 6.0221 6.6701 6.6701 6.6713 6.6716 7.6360 7.6360 8.0838 8.0838 8.0919 8.0923 10.2411 10.2411 10.2544 10.2548 10.2894 10.2894 14.6449 14.6449 14.7876 14.7883 14.7948 14.7948 17.0014 17.0043 k = 0.4559 0.4546 0.4533 ( 2734 PWs) bands (ev): -45.9259 -45.9259 -22.6879 -22.6879 -22.0409 -22.0409 -22.0372 -22.0372 -14.1522 -14.1522 -5.6590 -5.6590 -5.6186 -5.6186 -5.6019 -5.6019 -1.4712 -1.4712 0.2030 0.2030 0.2367 0.2367 6.0364 6.0364 6.6782 6.6782 6.6795 6.6799 7.6299 7.6299 8.0659 8.0659 8.0893 8.0898 10.2244 10.2244 10.2375 10.2380 10.2822 10.2822 14.6362 14.6362 14.7768 14.7776 14.7840 14.7840 17.0245 17.0280 k = 0.4485 0.4473 0.4460 ( 2734 PWs) bands (ev): -45.9259 -45.9259 -22.6876 -22.6876 -22.0405 -22.0405 -22.0370 -22.0370 -14.1536 -14.1536 -5.6716 -5.6716 -5.6223 -5.6223 -5.6044 -5.6044 -1.4590 -1.4590 0.2130 0.2131 0.2571 0.2571 6.0531 6.0531 6.6877 6.6877 6.6891 6.6896 7.6224 7.6224 8.0459 8.0459 8.0863 8.0869 10.2049 10.2049 10.2180 10.2186 10.2738 10.2738 14.6258 14.6258 14.7640 14.7649 14.7713 14.7713 17.0508 17.0548 k = 0.4412 0.4399 0.4387 ( 2743 PWs) bands (ev): -45.9259 -45.9259 -22.6874 -22.6874 -22.0402 -22.0402 -22.0366 -22.0366 -14.1552 -14.1552 -5.6863 -5.6863 -5.6261 -5.6261 -5.6074 -5.6074 -1.4452 -1.4452 0.2245 0.2245 0.2805 0.2805 6.0722 6.0722 6.6987 6.6987 6.7001 6.7007 7.6134 7.6134 8.0243 8.0243 8.0829 8.0836 10.1829 10.1829 10.1962 10.1968 10.2642 10.2642 14.6140 14.6140 14.7493 14.7503 14.7567 14.7567 17.0795 17.0842 k = 0.4338 0.4326 0.4314 ( 2743 PWs) bands (ev): -45.9260 -45.9260 -22.6870 -22.6870 -22.0398 -22.0397 -22.0362 -22.0362 -14.1571 -14.1571 -5.7028 -5.7028 -5.6301 -5.6301 -5.6107 -5.6107 -1.4299 -1.4299 0.2374 0.2374 0.3066 0.3066 6.0936 6.0936 6.7110 6.7110 6.7126 6.7133 7.6025 7.6025 8.0016 8.0016 8.0791 8.0799 10.1587 10.1587 10.1722 10.1730 10.2536 10.2536 14.6007 14.6007 14.7328 14.7339 14.7403 14.7403 17.1102 17.1154 k = 0.4265 0.4253 0.4241 ( 2743 PWs) bands (ev): -45.9260 -45.9260 -22.6866 -22.6866 -22.0393 -22.0393 -22.0358 -22.0358 -14.1591 -14.1591 -5.7211 -5.7211 -5.6343 -5.6343 -5.6143 -5.6143 -1.4133 -1.4133 0.2516 0.2516 0.3354 0.3354 6.1172 6.1172 6.7247 6.7247 6.7265 6.7273 7.5898 7.5898 7.9785 7.9785 8.0749 8.0758 10.1325 10.1325 10.1465 10.1472 10.2418 10.2418 14.5860 14.5860 14.7144 14.7157 14.7220 14.7220 17.1419 17.1476 k = 0.4191 0.4179 0.4167 ( 2749 PWs) bands (ev): -45.9260 -45.9260 -22.6861 -22.6861 -22.0388 -22.0388 -22.0353 -22.0353 -14.1613 -14.1613 -5.7409 -5.7409 -5.6387 -5.6387 -5.6182 -5.6182 -1.3955 -1.3955 0.2671 0.2671 0.3666 0.3666 6.1429 6.1429 6.7397 6.7397 6.7417 6.7426 7.5750 7.5750 7.9557 7.9557 8.0704 8.0714 10.1046 10.1046 10.1191 10.1199 10.2290 10.2290 14.5698 14.5698 14.6942 14.6956 14.7019 14.7019 17.1739 17.1801 k = 0.4118 0.4106 0.4094 ( 2749 PWs) bands (ev): -45.9261 -45.9261 -22.6857 -22.6857 -22.0382 -22.0382 -22.0348 -22.0348 -14.1638 -14.1638 -5.7620 -5.7620 -5.6433 -5.6433 -5.6224 -5.6224 -1.3765 -1.3765 0.2838 0.2838 0.4001 0.4001 6.1705 6.1705 6.7560 6.7560 6.7583 6.7592 7.5580 7.5580 7.9338 7.9338 8.0656 8.0667 10.0752 10.0752 10.0904 10.0913 10.2151 10.2151 14.5522 14.5522 14.6722 14.6738 14.6801 14.6801 17.2048 17.2116 k = 0.4044 0.4033 0.4021 ( 2743 PWs) bands (ev): -45.9261 -45.9261 -22.6851 -22.6851 -22.0376 -22.0376 -22.0342 -22.0342 -14.1664 -14.1664 -5.7844 -5.7844 -5.6482 -5.6482 -5.6269 -5.6269 -1.3566 -1.3566 0.3016 0.3016 0.4357 0.4357 6.1998 6.1998 6.7736 6.7736 6.7761 6.7772 7.5390 7.5390 7.9133 7.9133 8.0605 8.0618 10.0447 10.0447 10.0608 10.0617 10.2002 10.2002 14.5332 14.5332 14.6485 14.6502 14.6566 14.6566 17.2339 17.2410 k = 0.3971 0.3959 0.3948 ( 2743 PWs) bands (ev): -45.9261 -45.9261 -22.6845 -22.6845 -22.0369 -22.0369 -22.0335 -22.0335 -14.1692 -14.1692 -5.8078 -5.8078 -5.6533 -5.6533 -5.6317 -5.6316 -1.3359 -1.3359 0.3205 0.3205 0.4732 0.4732 6.2306 6.2306 6.7925 6.7925 6.7953 6.7964 7.5181 7.5181 7.8946 7.8946 8.0553 8.0567 10.0132 10.0132 10.0304 10.0313 10.1843 10.1843 14.5128 14.5128 14.6232 14.6250 14.6314 14.6314 17.2598 17.2672 k = 0.3897 0.3886 0.3875 ( 2746 PWs) bands (ev): -45.9262 -45.9262 -22.6839 -22.6839 -22.0362 -22.0362 -22.0329 -22.0329 -14.1723 -14.1723 -5.8321 -5.8321 -5.6585 -5.6585 -5.6366 -5.6366 -1.3145 -1.3145 0.3403 0.3404 0.5123 0.5123 6.2628 6.2628 6.8125 6.8125 6.8156 6.8169 7.4957 7.4957 7.8781 7.8781 8.0499 8.0514 9.9811 9.9811 9.9996 10.0005 10.1675 10.1675 14.4911 14.4911 14.5962 14.5982 14.6046 14.6046 17.2812 17.2888 k = 0.3824 0.3813 0.3802 ( 2746 PWs) bands (ev): -45.9262 -45.9262 -22.6833 -22.6833 -22.0355 -22.0355 -22.0322 -22.0322 -14.1755 -14.1755 -5.8572 -5.8572 -5.6640 -5.6640 -5.6418 -5.6418 -1.2925 -1.2925 0.3611 0.3612 0.5529 0.5529 6.2960 6.2960 6.8337 6.8337 6.8372 6.8386 7.4725 7.4725 7.8637 7.8637 8.0444 8.0461 9.9486 9.9486 9.9685 9.9694 10.1498 10.1498 14.4680 14.4680 14.5676 14.5697 14.5763 14.5763 17.2971 17.3047 k = 0.3750 0.3739 0.3729 ( 2740 PWs) bands (ev): -45.9263 -45.9263 -22.6826 -22.6826 -22.0347 -22.0347 -22.0314 -22.0314 -14.1789 -14.1789 -5.8829 -5.8829 -5.6696 -5.6696 -5.6472 -5.6472 -1.2700 -1.2700 0.3827 0.3827 0.5947 0.5947 6.3299 6.3299 6.8560 6.8560 6.8598 6.8614 7.4492 7.4492 7.8516 7.8516 8.0388 8.0408 9.9159 9.9159 9.9376 9.9385 10.1313 10.1313 14.4437 14.4437 14.5375 14.5397 14.5464 14.5464 17.3064 17.3139 k = 0.3676 0.3666 0.3656 ( 2740 PWs) bands (ev): -45.9263 -45.9263 -22.6819 -22.6819 -22.0339 -22.0339 -22.0306 -22.0306 -14.1825 -14.1825 -5.9091 -5.9091 -5.6753 -5.6753 -5.6528 -5.6528 -1.2473 -1.2473 0.4050 0.4050 0.6374 0.6374 6.3642 6.3642 6.8794 6.8794 6.8836 6.8853 7.4267 7.4267 7.8417 7.8417 8.0334 8.0355 9.8834 9.8834 9.9070 9.9079 10.1120 10.1120 14.4180 14.4180 14.5060 14.5083 14.5151 14.5151 17.3084 17.3156 k = 0.3603 0.3593 0.3583 ( 2731 PWs) bands (ev): -45.9264 -45.9264 -22.6811 -22.6811 -22.0330 -22.0330 -22.0298 -22.0298 -14.1863 -14.1863 -5.9356 -5.9356 -5.6812 -5.6812 -5.6585 -5.6585 -1.2244 -1.2244 0.4279 0.4279 0.6808 0.6808 6.3983 6.3983 6.9037 6.9037 6.9084 6.9102 7.4060 7.4060 7.8339 7.8339 8.0281 8.0304 9.8512 9.8512 9.8769 9.8778 10.0919 10.0919 14.3911 14.3911 14.4730 14.4755 14.4824 14.4824 17.3027 17.3095 k = 0.3529 0.3519 0.3509 ( 2734 PWs) bands (ev): -45.9264 -45.9264 -22.6804 -22.6804 -22.0321 -22.0321 -22.0290 -22.0290 -14.1902 -14.1902 -5.9623 -5.9623 -5.6872 -5.6872 -5.6643 -5.6643 -1.2015 -1.2015 0.4513 0.4514 0.7245 0.7245 6.4318 6.4318 6.9290 6.9290 6.9342 6.9362 7.3881 7.3881 7.8280 7.8280 8.0230 8.0255 9.8195 9.8195 9.8476 9.8485 10.0711 10.0711 14.3629 14.3629 14.4387 14.4413 14.4484 14.4484 17.2894 17.2960 k = 0.3456 0.3446 0.3436 ( 2728 PWs) bands (ev): -45.9265 -45.9265 -22.6796 -22.6796 -22.0312 -22.0312 -22.0281 -22.0281 -14.1943 -14.1943 -5.9891 -5.9891 -5.6932 -5.6932 -5.6703 -5.6702 -1.1786 -1.1786 0.4751 0.4752 0.7682 0.7682 6.4642 6.4642 6.9553 6.9553 6.9610 6.9631 7.3742 7.3742 7.8239 7.8239 8.0183 8.0211 9.7887 9.7887 9.8193 9.8201 10.0497 10.0497 14.3334 14.3334 14.4031 14.4058 14.4131 14.4131 17.2687 17.2743 k = 0.3382 0.3373 0.3363 ( 2743 PWs) bands (ev): -45.9265 -45.9265 -22.6788 -22.6788 -22.0303 -22.0303 -22.0273 -22.0273 -14.1986 -14.1986 -6.0159 -6.0159 -5.6993 -5.6993 -5.6763 -5.6763 -1.1559 -1.1559 0.4993 0.4994 0.8116 0.8116 6.4950 6.4950 6.9823 6.9823 6.9886 6.9909 7.3652 7.3652 7.8216 7.8216 8.0141 8.0171 9.7587 9.7587 9.7921 9.7929 10.0277 10.0277 14.3028 14.3028 14.3663 14.3691 14.3767 14.3767 17.2414 17.2464 k = 0.3309 0.3299 0.3290 ( 2743 PWs) bands (ev): -45.9266 -45.9266 -22.6780 -22.6780 -22.0293 -22.0293 -22.0263 -22.0263 -14.2031 -14.2031 -6.0425 -6.0425 -5.7053 -5.7053 -5.6823 -5.6823 -1.1335 -1.1335 0.5236 0.5237 0.8546 0.8546 6.5236 6.5236 7.0102 7.0102 7.0170 7.0196 7.3622 7.3622 7.8209 7.8209 8.0104 8.0136 9.7299 9.7299 9.7663 9.7670 10.0052 10.0052 14.2709 14.2709 14.3284 14.3313 14.3391 14.3391 17.2072 17.2115 k = 0.3235 0.3226 0.3217 ( 2737 PWs) bands (ev): -45.9267 -45.9267 -22.6771 -22.6771 -22.0283 -22.0283 -22.0253 -22.0253 -14.2077 -14.2077 -6.0689 -6.0689 -5.7114 -5.7114 -5.6884 -5.6884 -1.1115 -1.1115 0.5481 0.5482 0.8966 0.8966 6.5498 6.5498 7.0388 7.0388 7.0463 7.0490 7.3658 7.3658 7.8219 7.8219 8.0074 8.0110 9.7024 9.7024 9.7419 9.7426 9.9822 9.9822 14.2378 14.2378 14.2894 14.2924 14.3006 14.3006 17.1679 17.1716 k = 0.3162 0.3153 0.3144 ( 2743 PWs) bands (ev): -45.9267 -45.9267 -22.6762 -22.6762 -22.0273 -22.0273 -22.0244 -22.0244 -14.2125 -14.2125 -6.0950 -6.0950 -5.7175 -5.7175 -5.6946 -5.6946 -1.0901 -1.0901 0.5726 0.5727 0.9374 0.9374 6.5734 6.5734 7.0681 7.0681 7.0762 7.0792 7.3766 7.3766 7.8245 7.8245 8.0053 8.0091 9.6764 9.6764 9.7191 9.7197 9.9588 9.9588 14.2036 14.2036 14.2494 14.2526 14.2611 14.2611 17.1236 17.1263 k = 0.3088 0.3079 0.3071 ( 2743 PWs) bands (ev): -45.9268 -45.9268 -22.6753 -22.6753 -22.0262 -22.0262 -22.0234 -22.0234 -14.2174 -14.2174 -6.1206 -6.1206 -5.7235 -5.7235 -5.7007 -5.7007 -1.0692 -1.0692 0.5969 0.5970 0.9768 0.9768 6.5946 6.5946 7.0980 7.0980 7.1068 7.1100 7.3949 7.3949 7.8286 7.8286 8.0041 8.0082 9.6519 9.6519 9.6980 9.6986 9.9350 9.9350 14.1683 14.1683 14.2085 14.2118 14.2207 14.2207 17.0752 17.0763 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9269 -45.9269 -22.6744 -22.6744 -22.0252 -22.0252 -22.0223 -22.0223 -14.2225 -14.2225 -6.1456 -6.1456 -5.7295 -5.7295 -5.7068 -5.7068 -1.0490 -1.0490 0.6211 0.6212 1.0144 1.0144 6.6136 6.6136 7.1286 7.1286 7.1381 7.1415 7.4207 7.4207 7.8344 7.8344 8.0040 8.0084 9.6291 9.6291 9.6786 9.6792 9.9109 9.9109 14.1318 14.1318 14.1668 14.1702 14.1796 14.1796 17.0227 17.0228 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9269 -45.9269 -22.6734 -22.6734 -22.0241 -22.0241 -22.0212 -22.0212 -14.2277 -14.2277 -6.1701 -6.1701 -5.7353 -5.7353 -5.7128 -5.7128 -1.0296 -1.0296 0.6449 0.6450 1.0500 1.0500 6.6311 6.6311 7.1596 7.1596 7.1699 7.1736 7.4534 7.4534 7.8418 7.8418 8.0051 8.0098 9.6080 9.6080 9.6611 9.6616 9.8866 9.8866 14.0943 14.0943 14.1243 14.1278 14.1377 14.1377 16.9661 16.9661 k = 0.2868 0.2860 0.2851 ( 2743 PWs) bands (ev): -45.9270 -45.9270 -22.6725 -22.6725 -22.0230 -22.0230 -22.0202 -22.0202 -14.2330 -14.2330 -6.1939 -6.1939 -5.7411 -5.7411 -5.7188 -5.7188 -1.0110 -1.0110 0.6683 0.6684 1.0833 1.0833 6.6479 6.6479 7.1912 7.1912 7.2022 7.2061 7.4926 7.4926 7.8509 7.8509 8.0075 8.0126 9.5889 9.5889 9.6455 9.6460 9.8621 9.8621 14.0557 14.0557 14.0812 14.0847 14.0953 14.0953 16.9069 16.9069 k = 0.2794 0.2786 0.2778 ( 2743 PWs) bands (ev): -45.9271 -45.9271 -22.6716 -22.6716 -22.0219 -22.0219 -22.0191 -22.0191 -14.2385 -14.2385 -6.2169 -6.2169 -5.7468 -5.7468 -5.7247 -5.7247 -0.9934 -0.9934 0.6912 0.6913 1.1140 1.1140 6.6647 6.6647 7.2232 7.2232 7.2350 7.2392 7.5377 7.5377 7.8616 7.8616 8.0113 8.0168 9.5717 9.5717 9.6319 9.6323 9.8374 9.8374 14.0162 14.0162 14.0374 14.0411 14.0523 14.0523 16.8454 16.8454 k = 0.2721 0.2713 0.2705 ( 2743 PWs) bands (ev): -45.9271 -45.9271 -22.6706 -22.6706 -22.0208 -22.0208 -22.0181 -22.0181 -14.2440 -14.2440 -6.2391 -6.2391 -5.7523 -5.7523 -5.7305 -5.7305 -0.9768 -0.9768 0.7135 0.7136 1.1421 1.1421 6.6824 6.6824 7.2556 7.2556 7.2682 7.2727 7.5879 7.5879 7.8740 7.8740 8.0167 8.0225 9.5566 9.5566 9.6203 9.6206 9.8126 9.8126 13.9757 13.9757 13.9932 13.9969 14.0089 14.0089 16.7818 16.7819 k = 0.2647 0.2640 0.2632 ( 2746 PWs) bands (ev): -45.9272 -45.9272 -22.6696 -22.6696 -22.0197 -22.0197 -22.0170 -22.0170 -14.2497 -14.2497 -6.2605 -6.2605 -5.7577 -5.7577 -5.7362 -5.7362 -0.9612 -0.9612 0.7351 0.7352 1.1673 1.1673 6.7017 6.7017 7.2883 7.2883 7.3019 7.3067 7.6426 7.6426 7.8880 7.8880 8.0236 8.0298 9.5435 9.5435 9.6106 9.6109 9.7878 9.7878 13.9344 13.9344 13.9485 13.9523 13.9651 13.9651 16.7166 16.7166 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9273 -45.9273 -22.6686 -22.6686 -22.0185 -22.0185 -22.0158 -22.0158 -14.2555 -14.2555 -6.2810 -6.2810 -5.7629 -5.7629 -5.7418 -5.7418 -0.9467 -0.9467 0.7559 0.7560 1.1895 1.1895 6.7232 6.7232 7.3213 7.3213 7.3359 7.3410 7.7012 7.7012 7.9038 7.9038 8.0323 8.0388 9.5325 9.5325 9.6030 9.6032 9.7630 9.7630 13.8923 13.8923 13.9034 13.9073 13.9211 13.9211 16.6499 16.6499 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9274 -45.9274 -22.6677 -22.6677 -22.0174 -22.0174 -22.0148 -22.0148 -14.2613 -14.2613 -6.3005 -6.3005 -5.7679 -5.7679 -5.7473 -5.7473 -0.9334 -0.9334 0.7759 0.7760 1.2086 1.2086 6.7474 6.7474 7.3545 7.3545 7.3703 7.3757 7.7630 7.7630 7.9214 7.9214 8.0426 8.0495 9.5237 9.5237 9.5974 9.5976 9.7383 9.7383 13.8495 13.8495 13.8580 13.8620 13.8768 13.8768 16.5819 16.5819 k = 0.2426 0.2420 0.2413 ( 2746 PWs) bands (ev): -45.9274 -45.9274 -22.6667 -22.6667 -22.0163 -22.0163 -22.0136 -22.0136 -14.2673 -14.2673 -6.3191 -6.3191 -5.7728 -5.7728 -5.7526 -5.7526 -0.9212 -0.9212 0.7950 0.7952 1.2246 1.2246 6.7746 6.7746 7.3880 7.3880 7.4051 7.4108 7.8277 7.8277 7.9408 7.9408 8.0547 8.0619 9.5170 9.5170 9.5938 9.5939 9.7137 9.7137 13.8061 13.8061 13.8125 13.8165 13.8323 13.8323 16.5129 16.5129 k = 0.2353 0.2346 0.2340 ( 2740 PWs) bands (ev): -45.9275 -45.9275 -22.6656 -22.6656 -22.0151 -22.0151 -22.0125 -22.0125 -14.2733 -14.2733 -6.3367 -6.3367 -5.7774 -5.7774 -5.7577 -5.7577 -0.9103 -0.9103 0.8132 0.8133 1.2374 1.2374 6.8050 6.8050 7.4216 7.4216 7.4402 7.4462 7.8943 7.8943 7.9623 7.9623 8.0686 8.0761 9.5125 9.5125 9.5921 9.5922 9.6894 9.6894 13.7622 13.7622 13.7668 13.7709 13.7877 13.7877 16.4431 16.4431 k = 0.2279 0.2273 0.2266 ( 2737 PWs) bands (ev): -45.9276 -45.9276 -22.6646 -22.6646 -22.0140 -22.0140 -22.0113 -22.0113 -14.2793 -14.2793 -6.3532 -6.3532 -5.7819 -5.7819 -5.7627 -5.7627 -0.9006 -0.9006 0.8303 0.8304 1.2471 1.2471 6.8388 6.8388 7.4553 7.4553 7.4756 7.4819 7.9598 7.9598 7.9887 7.9887 8.0842 8.0921 9.5101 9.5101 9.5924 9.5925 9.6652 9.6652 13.7180 13.7180 13.7210 13.7252 13.7431 13.7431 16.3727 16.3727 k = 0.2206 0.2200 0.2193 ( 2737 PWs) bands (ev): -45.9276 -45.9276 -22.6636 -22.6636 -22.0129 -22.0129 -22.0102 -22.0102 -14.2855 -14.2855 -6.3688 -6.3688 -5.7862 -5.7862 -5.7675 -5.7675 -0.8921 -0.8921 0.8464 0.8465 1.2538 1.2538 6.8760 6.8760 7.4890 7.4890 7.5113 7.5178 8.0025 8.0025 8.0415 8.0415 8.1016 8.1098 9.5099 9.5099 9.5946 9.5946 9.6413 9.6413 13.6736 13.6736 13.6753 13.6795 13.6984 13.6984 16.3018 16.3018 k = 0.2132 0.2126 0.2120 ( 2743 PWs) bands (ev): -45.9277 -45.9277 -22.6627 -22.6627 -22.0118 -22.0118 -22.0091 -22.0091 -14.2916 -14.2916 -6.3833 -6.3833 -5.7902 -5.7902 -5.7722 -5.7722 -0.8849 -0.8849 0.8614 0.8616 1.2576 1.2576 6.9164 6.9164 7.5228 7.5228 7.5473 7.5540 8.0304 8.0304 8.1123 8.1123 8.1207 8.1292 9.5117 9.5117 9.5986 9.5986 9.6177 9.6177 13.6290 13.6290 13.6296 13.6339 13.6539 13.6539 16.2305 16.2305 k = 0.2059 0.2053 0.2047 ( 2737 PWs) bands (ev): -45.9278 -45.9278 -22.6617 -22.6617 -22.0107 -22.0107 -22.0080 -22.0080 -14.2977 -14.2977 -6.3968 -6.3968 -5.7941 -5.7941 -5.7767 -5.7767 -0.8788 -0.8788 0.8753 0.8755 1.2585 1.2585 6.9600 6.9600 7.5564 7.5564 7.5835 7.5904 8.0583 8.0583 8.1416 8.1503 8.1860 8.1860 9.5155 9.5155 9.5946 9.5946 9.6045 9.6045 13.5841 13.5844 13.5844 13.5884 13.6094 13.6094 16.1592 16.1592 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9278 -45.9278 -22.6608 -22.6608 -22.0096 -22.0096 -22.0070 -22.0070 -14.3039 -14.3039 -6.4093 -6.4093 -5.7977 -5.7977 -5.7809 -5.7809 -0.8740 -0.8740 0.8882 0.8883 1.2569 1.2569 7.0065 7.0065 7.5897 7.5897 7.6198 7.6270 8.0874 8.0874 8.1641 8.1731 8.2611 8.2611 9.5213 9.5213 9.5718 9.5718 9.6120 9.6120 13.5388 13.5400 13.5400 13.5432 13.5652 13.5652 16.0880 16.0880 k = 0.1912 0.1906 0.1901 ( 2749 PWs) bands (ev): -45.9279 -45.9279 -22.6598 -22.6598 -22.0085 -22.0085 -22.0059 -22.0059 -14.3100 -14.3100 -6.4208 -6.4208 -5.8012 -5.8012 -5.7850 -5.7850 -0.8704 -0.8704 0.8999 0.9000 1.2527 1.2527 7.0557 7.0557 7.6228 7.6228 7.6562 7.6635 8.1181 8.1181 8.1884 8.1975 8.3373 8.3373 9.5287 9.5287 9.5499 9.5499 9.6212 9.6212 13.4937 13.4958 13.4958 13.4982 13.5212 13.5212 16.0172 16.0188 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9280 -45.9280 -22.6588 -22.6588 -22.0074 -22.0074 -22.0048 -22.0048 -14.3161 -14.3161 -6.4313 -6.4313 -5.8044 -5.8044 -5.7889 -5.7889 -0.8679 -0.8679 0.9105 0.9107 1.2464 1.2464 7.1072 7.1072 7.6554 7.6554 7.6925 7.7000 8.1503 8.1503 8.2143 8.2236 8.4142 8.4142 9.5262 9.5262 9.5402 9.5402 9.6319 9.6320 13.4490 13.4519 13.4519 13.4535 13.4777 13.4777 15.9464 15.9464 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9280 -45.9280 -22.6579 -22.6579 -22.0064 -22.0064 -22.0037 -22.0037 -14.3222 -14.3222 -6.4409 -6.4409 -5.8074 -5.8074 -5.7926 -5.7926 -0.8664 -0.8664 0.9201 0.9202 1.2381 1.2381 7.1606 7.1606 7.6874 7.6874 7.7286 7.7362 8.1842 8.1842 8.2418 8.2512 8.4915 8.4915 9.5057 9.5057 9.5507 9.5507 9.6441 9.6442 13.4047 13.4085 13.4085 13.4093 13.4347 13.4347 15.8764 15.8764 k = 0.1691 0.1686 0.1682 ( 2731 PWs) bands (ev): -45.9281 -45.9281 -22.6570 -22.6570 -22.0054 -22.0054 -22.0026 -22.0026 -14.3282 -14.3282 -6.4495 -6.4495 -5.8102 -5.8102 -5.7962 -5.7962 -0.8660 -0.8660 0.9286 0.9287 1.2279 1.2279 7.2155 7.2155 7.7188 7.7188 7.7644 7.7720 8.2196 8.2196 8.2710 8.2804 8.5692 8.5692 9.4851 9.4851 9.5635 9.5635 9.6577 9.6577 13.3609 13.3655 13.3655 13.3655 13.3923 13.3923 15.8071 15.8071 k = 0.1618 0.1613 0.1608 ( 2731 PWs) bands (ev): -45.9281 -45.9281 -22.6561 -22.6561 -22.0044 -22.0044 -22.0016 -22.0016 -14.3341 -14.3341 -6.4572 -6.4572 -5.8128 -5.8128 -5.7995 -5.7995 -0.8666 -0.8666 0.9361 0.9362 1.2162 1.2162 7.2716 7.2716 7.7493 7.7493 7.7996 7.8072 8.2566 8.2566 8.3018 8.3112 8.6469 8.6469 9.4650 9.4650 9.5779 9.5779 9.6725 9.6725 13.3176 13.3222 13.3231 13.3231 13.3507 13.3507 15.7388 15.7388 k = 0.1544 0.1540 0.1535 ( 2731 PWs) bands (ev): -45.9282 -45.9282 -22.6553 -22.6553 -22.0034 -22.0034 -22.0006 -22.0006 -14.3399 -14.3399 -6.4641 -6.4641 -5.8152 -5.8152 -5.8026 -5.8026 -0.8681 -0.8681 0.9427 0.9428 1.2033 1.2033 7.3283 7.3283 7.7790 7.7790 7.8341 7.8416 8.2951 8.2951 8.3343 8.3436 8.7245 8.7245 9.4455 9.4455 9.5936 9.5936 9.6883 9.6883 13.2749 13.2795 13.2814 13.2814 13.3099 13.3099 15.6716 15.6723 k = 0.1471 0.1466 0.1462 ( 2743 PWs) bands (ev): -45.9283 -45.9283 -22.6545 -22.6545 -22.0025 -22.0025 -21.9998 -21.9998 -14.3456 -14.3456 -6.4701 -6.4701 -5.8175 -5.8175 -5.8056 -5.8056 -0.8704 -0.8704 0.9483 0.9484 1.1892 1.1892 7.3851 7.3851 7.8076 7.8076 7.8677 7.8750 8.3350 8.3350 8.3684 8.3774 8.8016 8.8016 9.4267 9.4267 9.6105 9.6105 9.7051 9.7051 13.2329 13.2374 13.2403 13.2403 13.2702 13.2702 15.6056 15.6056 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9283 -45.9283 -22.6537 -22.6537 -22.0016 -22.0016 -21.9988 -21.9988 -14.3512 -14.3512 -6.4754 -6.4754 -5.8195 -5.8195 -5.8083 -5.8083 -0.8735 -0.8735 0.9530 0.9532 1.1743 1.1743 7.4417 7.4417 7.8352 7.8352 7.9001 7.9072 8.3762 8.3762 8.4040 8.4128 8.8782 8.8782 9.4086 9.4086 9.6284 9.6284 9.7226 9.7227 13.1916 13.1961 13.2000 13.2000 13.2318 13.2318 15.5410 15.5410 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9284 -45.9284 -22.6529 -22.6529 -22.0008 -22.0008 -21.9979 -21.9979 -14.3566 -14.3566 -6.4800 -6.4800 -5.8214 -5.8214 -5.8109 -5.8109 -0.8772 -0.8772 0.9570 0.9571 1.1588 1.1588 7.4976 7.4976 7.8618 7.8618 7.9311 7.9380 8.4187 8.4187 8.4411 8.4496 8.9538 8.9538 9.3913 9.3913 9.6471 9.6471 9.7408 9.7409 13.1511 13.1556 13.1604 13.1604 13.1947 13.1947 15.4782 15.4782 k = 0.1250 0.1246 0.1243 ( 2737 PWs) bands (ev): -45.9284 -45.9284 -22.6522 -22.6522 -21.9999 -21.9999 -21.9970 -21.9970 -14.3618 -14.3618 -6.4839 -6.4839 -5.8231 -5.8231 -5.8133 -5.8133 -0.8815 -0.8815 0.9602 0.9604 1.1429 1.1429 7.5521 7.5521 7.8874 7.8874 7.9607 7.9672 8.4620 8.4620 8.4796 8.4877 9.0282 9.0282 9.3747 9.3747 9.6665 9.6665 9.7594 9.7595 13.1115 13.1159 13.1217 13.1217 13.1591 13.1591 15.4171 15.4178 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9285 -45.9285 -22.6514 -22.6514 -21.9991 -21.9991 -21.9962 -21.9962 -14.3669 -14.3669 -6.4871 -6.4871 -5.8246 -5.8246 -5.8155 -5.8155 -0.8862 -0.8862 0.9628 0.9629 1.1268 1.1268 7.6049 7.6049 7.9122 7.9122 7.9886 7.9947 8.5061 8.5061 8.5192 8.5268 9.1010 9.1010 9.3589 9.3589 9.6863 9.6863 9.7782 9.7784 13.0729 13.0773 13.0839 13.0839 13.1253 13.1253 15.3581 15.3581 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9285 -45.9285 -22.6508 -22.6508 -21.9983 -21.9983 -21.9954 -21.9954 -14.3717 -14.3717 -6.4899 -6.4899 -5.8260 -5.8260 -5.8176 -5.8176 -0.8913 -0.8913 0.9648 0.9649 1.1108 1.1108 7.6553 7.6553 7.9361 7.9361 8.0147 8.0204 8.5506 8.5506 8.5596 8.5668 9.1720 9.1720 9.3440 9.3440 9.7063 9.7063 9.7971 9.7973 13.0354 13.0397 13.0470 13.0470 13.0933 13.0933 15.3013 15.3025 k = 0.1029 0.1026 0.1024 ( 2746 PWs) bands (ev): -45.9286 -45.9286 -22.6502 -22.6502 -21.9977 -21.9977 -21.9947 -21.9947 -14.3764 -14.3764 -6.4921 -6.4921 -5.8272 -5.8272 -5.8195 -5.8195 -0.8966 -0.8966 0.9662 0.9663 1.0949 1.0949 7.7029 7.7029 7.9595 7.9595 8.0391 8.0443 8.5953 8.5953 8.6006 8.6073 9.2408 9.2408 9.3299 9.3299 9.7264 9.7264 9.8158 9.8161 12.9991 13.0032 13.0113 13.0113 13.0632 13.0632 15.2468 15.2475 k = 0.0956 0.0953 0.0950 ( 2749 PWs) bands (ev): -45.9286 -45.9286 -22.6496 -22.6496 -21.9970 -21.9970 -21.9941 -21.9941 -14.3808 -14.3808 -6.4938 -6.4938 -5.8283 -5.8283 -5.8212 -5.8212 -0.9022 -0.9022 0.9672 0.9673 1.0794 1.0794 7.7472 7.7472 7.9824 7.9824 8.0615 8.0663 8.6396 8.6396 8.6419 8.6480 9.3068 9.3068 9.3169 9.3169 9.7464 9.7464 9.8342 9.8345 12.9641 12.9681 12.9767 12.9767 13.0351 13.0351 15.1953 15.1967 k = 0.0882 0.0880 0.0877 ( 2749 PWs) bands (ev): -45.9286 -45.9286 -22.6490 -22.6490 -21.9964 -21.9964 -21.9934 -21.9934 -14.3849 -14.3849 -6.4952 -6.4952 -5.8293 -5.8293 -5.8228 -5.8228 -0.9078 -0.9078 0.9677 0.9678 1.0644 1.0644 7.7877 7.7877 8.0052 8.0052 8.0822 8.0865 8.6829 8.6833 8.6833 8.6885 9.3042 9.3042 9.3703 9.3703 9.7659 9.7659 9.8521 9.8524 12.9306 12.9345 12.9435 12.9435 13.0091 13.0091 15.1459 15.1465 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9287 -45.9287 -22.6485 -22.6485 -21.9959 -21.9959 -21.9928 -21.9928 -14.3888 -14.3888 -6.4962 -6.4962 -5.8302 -5.8302 -5.8243 -5.8243 -0.9133 -0.9133 0.9680 0.9681 1.0501 1.0501 7.8239 7.8239 8.0279 8.0279 8.1010 8.1049 8.7233 8.7259 8.7259 8.7284 9.2928 9.2928 9.4301 9.4301 9.7851 9.7851 9.8693 9.8696 12.8988 12.9024 12.9119 12.9119 12.9852 12.9852 15.0999 15.1006 k = 0.0735 0.0733 0.0731 ( 2755 PWs) bands (ev): -45.9287 -45.9287 -22.6481 -22.6481 -21.9953 -21.9953 -21.9922 -21.9922 -14.3924 -14.3924 -6.4969 -6.4969 -5.8310 -5.8310 -5.8256 -5.8255 -0.9188 -0.9188 0.9680 0.9680 1.0366 1.0366 7.8558 7.8558 8.0505 8.0505 8.1179 8.1214 8.7626 8.7670 8.7670 8.7672 9.2824 9.2824 9.4860 9.4860 9.8035 9.8035 9.8855 9.8859 12.8687 12.8722 12.8819 12.8819 12.9635 12.9635 15.0571 15.0573 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9288 -45.9288 -22.6477 -22.6477 -21.9949 -21.9949 -21.9918 -21.9918 -14.3957 -14.3957 -6.4974 -6.4974 -5.8316 -5.8316 -5.8267 -5.8267 -0.9240 -0.9240 0.9678 0.9678 1.0241 1.0241 7.8831 7.8831 8.0730 8.0730 8.1331 8.1362 8.8003 8.8043 8.8061 8.8061 9.2728 9.2728 9.5377 9.5377 9.8211 9.8211 9.9007 9.9011 12.8407 12.8439 12.8539 12.8539 12.9440 12.9440 15.0175 15.0185 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9288 -45.9288 -22.6473 -22.6473 -21.9945 -21.9945 -21.9914 -21.9914 -14.3986 -14.3986 -6.4977 -6.4977 -5.8322 -5.8322 -5.8277 -5.8277 -0.9290 -0.9290 0.9674 0.9675 1.0125 1.0125 7.9062 7.9062 8.0950 8.0950 8.1466 8.1493 8.8358 8.8393 8.8428 8.8428 9.2643 9.2643 9.5847 9.5847 9.8378 9.8378 9.9147 9.9151 12.8149 12.8178 12.8281 12.8281 12.9266 12.9266 14.9816 14.9825 k = 0.0515 0.0513 0.0512 ( 2773 PWs) bands (ev): -45.9288 -45.9288 -22.6470 -22.6470 -21.9941 -21.9941 -21.9910 -21.9910 -14.4013 -14.4013 -6.4978 -6.4978 -5.8327 -5.8327 -5.8286 -5.8286 -0.9335 -0.9335 0.9670 0.9670 1.0022 1.0022 7.9253 7.9253 8.1159 8.1159 8.1584 8.1607 8.8686 8.8717 8.8766 8.8766 9.2567 9.2567 9.6266 9.6266 9.8534 9.8534 9.9273 9.9277 12.7915 12.7941 12.8045 12.8045 12.9114 12.9114 14.9495 14.9501 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9288 -45.9288 -22.6466 -22.6466 -21.9937 -21.9937 -21.9906 -21.9906 -14.4036 -14.4036 -6.4978 -6.4978 -5.8331 -5.8331 -5.8294 -5.8294 -0.9376 -0.9376 0.9665 0.9665 0.9930 0.9930 7.9409 7.9409 8.1352 8.1352 8.1685 8.1705 8.8984 8.9010 8.9070 8.9070 9.2501 9.2501 9.6632 9.6632 9.8677 9.8677 9.9385 9.9388 12.7707 12.7730 12.7836 12.7836 12.8984 12.8984 14.9212 14.9215 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9289 -45.9289 -22.6464 -22.6464 -21.9935 -21.9935 -21.9902 -21.9902 -14.4056 -14.4056 -6.4978 -6.4978 -5.8334 -5.8334 -5.8300 -5.8300 -0.9412 -0.9412 0.9660 0.9660 0.9851 0.9851 7.9533 7.9533 8.1525 8.1525 8.1771 8.1786 8.9245 8.9266 8.9336 8.9336 9.2445 9.2445 9.6940 9.6940 9.8806 9.8806 9.9481 9.9484 12.7527 12.7547 12.7654 12.7654 12.8874 12.8874 14.8970 14.8973 k = 0.0294 0.0293 0.0292 ( 2767 PWs) bands (ev): -45.9289 -45.9289 -22.6461 -22.6461 -21.9932 -21.9932 -21.9900 -21.9900 -14.4072 -14.4072 -6.4977 -6.4977 -5.8337 -5.8337 -5.8305 -5.8305 -0.9442 -0.9442 0.9655 0.9656 0.9786 0.9786 7.9631 7.9631 8.1672 8.1672 8.1840 8.1853 8.9466 8.9483 8.9560 8.9560 9.2399 9.2399 9.7192 9.7192 9.8918 9.8918 9.9560 9.9563 12.7377 12.7393 12.7503 12.7503 12.8786 12.8786 14.8770 14.8771 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9289 -45.9289 -22.6460 -22.6460 -21.9931 -21.9931 -21.9898 -21.9898 -14.4085 -14.4085 -6.4977 -6.4977 -5.8339 -5.8339 -5.8309 -5.8309 -0.9466 -0.9466 0.9652 0.9652 0.9734 0.9734 7.9704 7.9704 8.1789 8.1789 8.1894 8.1904 8.9642 8.9655 8.9738 8.9738 9.2363 9.2363 9.7385 9.7385 9.9011 9.9011 9.9622 9.9624 12.7259 12.7271 12.7382 12.7382 12.8717 12.8717 14.8614 14.8615 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9289 -45.9289 -22.6459 -22.6459 -21.9929 -21.9929 -21.9897 -21.9897 -14.4094 -14.4094 -6.4976 -6.4976 -5.8340 -5.8340 -5.8312 -5.8312 -0.9483 -0.9483 0.9649 0.9649 0.9698 0.9698 7.9755 7.9755 8.1875 8.1875 8.1933 8.1940 8.9771 8.9779 8.9867 8.9867 9.2338 9.2338 9.7522 9.7522 9.9080 9.9080 9.9667 9.9669 12.7174 12.7183 12.7296 12.7296 12.8668 12.8668 14.8501 14.8510 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9289 -45.9289 -22.6458 -22.6458 -21.9929 -21.9929 -21.9896 -21.9896 -14.4100 -14.4100 -6.4975 -6.4975 -5.8341 -5.8341 -5.8314 -5.8314 -0.9494 -0.9494 0.9647 0.9647 0.9675 0.9675 7.9784 7.9784 8.1927 8.1927 8.1957 8.1960 8.9850 8.9854 8.9945 8.9945 9.2323 9.2323 9.7603 9.7603 9.9123 9.9123 9.9695 9.9695 12.7124 12.7128 12.7243 12.7243 12.8639 12.8639 14.8433 14.8434 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9289 -45.9289 -22.6458 -22.6458 -21.9928 -21.9928 -21.9896 -21.9896 -14.4102 -14.4102 -6.4975 -6.4975 -5.8341 -5.8341 -5.8314 -5.8314 -0.9497 -0.9497 0.9646 0.9646 0.9668 0.9668 7.9794 7.9794 8.1945 8.1945 8.1966 8.1966 8.9878 8.9878 8.9972 8.9972 9.2317 9.2317 9.7630 9.7630 9.9138 9.9138 9.9704 9.9704 12.7108 12.7108 12.7225 12.7225 12.8630 12.8630 14.8415 14.8417 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9289 -45.9289 -22.6458 -22.6458 -21.9928 -21.9928 -21.9896 -21.9896 -14.4102 -14.4102 -6.4975 -6.4975 -5.8341 -5.8341 -5.8314 -5.8314 -0.9497 -0.9497 0.9646 0.9646 0.9668 0.9668 7.9794 7.9794 8.1945 8.1945 8.1966 8.1966 8.9878 8.9878 8.9972 8.9972 9.2317 9.2317 9.7630 9.7630 9.9138 9.9138 9.9704 9.9704 12.7108 12.7108 12.7225 12.7225 12.8630 12.8630 14.8412 14.8417 k = 0.0089-0.0000-0.0089 ( 2775 PWs) bands (ev): -45.9289 -45.9289 -22.6459 -22.6458 -21.9928 -21.9928 -21.9896 -21.9895 -14.4100 -14.4100 -6.4977 -6.4974 -5.8343 -5.8339 -5.8314 -5.8314 -0.9495 -0.9492 0.9651 0.9652 0.9666 0.9676 7.9760 7.9806 8.1898 8.1938 8.1962 8.1969 8.9861 8.9861 8.9943 8.9967 9.2292 9.2309 9.7448 9.7757 9.8977 9.9265 9.9711 9.9717 12.7116 12.7120 12.7226 12.7253 12.8629 12.8649 14.8427 14.8430 k = 0.0178-0.0001-0.0179 ( 2769 PWs) bands (ev): -45.9289 -45.9289 -22.6459 -22.6458 -21.9929 -21.9929 -21.9897 -21.9895 -14.4095 -14.4094 -6.4979 -6.4974 -5.8344 -5.8335 -5.8312 -5.8312 -0.9486 -0.9480 0.9658 0.9667 0.9673 0.9696 7.9704 7.9795 8.1811 8.1898 8.1938 8.1957 8.9803 8.9809 8.9885 8.9931 9.2235 9.2268 9.7223 9.7807 9.8819 9.9333 9.9725 9.9764 12.7124 12.7154 12.7272 12.7307 12.8647 12.8687 14.8460 14.8467 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9289 -45.9289 -22.6461 -22.6458 -21.9930 -21.9930 -21.9899 -21.9896 -14.4086 -14.4085 -6.4982 -6.4974 -5.8344 -5.8331 -5.8310 -5.8310 -0.9470 -0.9461 0.9665 0.9673 0.9705 0.9733 7.9623 7.9762 8.1687 8.1830 8.1891 8.1926 8.9698 8.9713 8.9805 8.9868 9.2151 9.2200 9.6962 9.7749 9.8699 9.9342 9.9740 9.9840 12.7126 12.7199 12.7368 12.7401 12.8686 12.8743 14.8515 14.8527 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9289 -45.9289 -22.6463 -22.6460 -21.9932 -21.9932 -21.9901 -21.9898 -14.4073 -14.4072 -6.4986 -6.4974 -5.8344 -5.8327 -5.8308 -5.8306 -0.9447 -0.9435 0.9672 0.9681 0.9751 0.9784 7.9516 7.9703 8.1527 8.1731 8.1825 8.1878 8.9543 8.9570 8.9704 8.9777 9.2047 9.2111 9.6670 9.7573 9.8632 9.9311 9.9749 9.9917 12.7133 12.7245 12.7505 12.7546 12.8745 12.8816 14.8592 14.8607 k = 0.0445-0.0001-0.0446 ( 2767 PWs) bands (ev): -45.9289 -45.9289 -22.6465 -22.6461 -21.9935 -21.9934 -21.9903 -21.9899 -14.4057 -14.4056 -6.4990 -6.4976 -5.8343 -5.8321 -5.8304 -5.8301 -0.9417 -0.9402 0.9680 0.9691 0.9810 0.9849 7.9382 7.9618 8.1335 8.1599 8.1744 8.1815 8.9343 8.9380 8.9578 8.9657 9.1933 9.2011 9.6350 9.7302 9.8598 9.9256 9.9749 9.9979 12.7149 12.7294 12.7682 12.7735 12.8824 12.8907 14.8689 14.8708 k = 0.0534-0.0002-0.0536 ( 2765 PWs) bands (ev): -45.9288 -45.9288 -22.6468 -22.6463 -21.9939 -21.9937 -21.9906 -21.9901 -14.4037 -14.4036 -6.4995 -6.4978 -5.8342 -5.8313 -5.8300 -5.8293 -0.9381 -0.9364 0.9690 0.9703 0.9883 0.9926 7.9216 7.9501 8.1112 8.1434 8.1650 8.1737 8.9100 8.9145 8.9422 8.9505 9.1819 9.1907 9.6005 9.6968 9.8568 9.9182 9.9738 10.0017 12.7180 12.7351 12.7898 12.7964 12.8924 12.9017 14.8805 14.8828 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9288 -45.9288 -22.6471 -22.6465 -21.9943 -21.9940 -21.9908 -21.9903 -14.4014 -14.4013 -6.5000 -6.4980 -5.8339 -5.8304 -5.8295 -5.8284 -0.9340 -0.9320 0.9702 0.9717 0.9967 1.0015 7.9018 7.9349 8.0865 8.1241 8.1545 8.1645 8.8815 8.8869 8.9237 8.9319 9.1712 9.1808 9.5638 9.6590 9.8528 9.9094 9.9712 10.0027 12.7227 12.7420 12.8148 12.8227 12.9046 12.9147 14.8939 14.8966 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9288 -45.9288 -22.6475 -22.6468 -21.9948 -21.9945 -21.9911 -21.9906 -14.3988 -14.3987 -6.5006 -6.4983 -5.8336 -5.8294 -5.8289 -5.8272 -0.9293 -0.9271 0.9715 0.9733 1.0063 1.0115 7.8784 7.9155 8.0598 8.1019 8.1430 8.1541 8.8491 8.8554 8.9021 8.9100 9.1618 9.1718 9.5249 9.6179 9.8471 9.8990 9.9668 10.0008 12.7294 12.7503 12.8429 12.8522 12.9189 12.9299 14.9089 14.9119 k = 0.0801-0.0002-0.0804 ( 2755 PWs) bands (ev): -45.9288 -45.9288 -22.6479 -22.6472 -21.9955 -21.9950 -21.9914 -21.9909 -14.3959 -14.3957 -6.5012 -6.4987 -5.8333 -5.8284 -5.8279 -5.8258 -0.9242 -0.9218 0.9731 0.9750 1.0169 1.0224 7.8512 7.8915 8.0317 8.0773 8.1307 8.1425 8.8130 8.8204 8.8777 8.8851 9.1539 9.1641 9.4843 9.5740 9.8396 9.8874 9.9607 9.9960 12.7382 12.7605 12.8737 12.8845 12.9355 12.9475 14.9253 14.9286 k = 0.0890-0.0003-0.0893 ( 2755 PWs) bands (ev): -45.9287 -45.9287 -22.6484 -22.6476 -21.9962 -21.9957 -21.9917 -21.9911 -14.3926 -14.3925 -6.5018 -6.4990 -5.8329 -5.8277 -5.8264 -5.8241 -0.9187 -0.9161 0.9748 0.9769 1.0283 1.0341 7.8202 7.8624 8.0026 8.0501 8.1178 8.1301 8.7737 8.7826 8.8507 8.8577 9.1476 9.1575 9.4421 9.5279 9.8303 9.8744 9.9526 9.9884 12.7492 12.7726 12.9065 12.9190 12.9545 12.9679 14.9430 14.9466 k = 0.0979-0.0003-0.0982 ( 2755 PWs) bands (ev): -45.9287 -45.9287 -22.6489 -22.6480 -21.9970 -21.9964 -21.9921 -21.9914 -14.3891 -14.3890 -6.5024 -6.4994 -5.8324 -5.8270 -5.8245 -5.8220 -0.9129 -0.9101 0.9766 0.9790 1.0405 1.0466 7.7853 7.8282 7.9725 8.0204 8.1046 8.1169 8.7317 8.7422 8.8215 8.8282 9.1425 9.1520 9.3988 9.4800 9.8194 9.8603 9.9427 9.9783 12.7627 12.7869 12.9406 12.9547 12.9767 12.9916 14.9617 14.9657 k = 0.1068-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9287 -45.9287 -22.6494 -22.6485 -21.9979 -21.9971 -21.9924 -21.9917 -14.3853 -14.3851 -6.5030 -6.4998 -5.8319 -5.8261 -5.8223 -5.8196 -0.9068 -0.9038 0.9787 0.9813 1.0534 1.0595 7.7469 7.7892 7.9413 7.9883 8.0911 8.1032 8.6875 8.6997 8.7904 8.7970 9.1385 9.1472 9.3548 9.4307 9.8070 9.8451 9.9310 9.9660 12.7786 12.8034 12.9749 12.9884 13.0050 13.0196 14.9814 14.9856 k = 0.1157-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9286 -45.9286 -22.6500 -22.6490 -21.9989 -21.9979 -21.9928 -21.9920 -14.3812 -14.3811 -6.5035 -6.5001 -5.8313 -5.8253 -5.8198 -5.8168 -0.9005 -0.8973 0.9808 0.9837 1.0667 1.0729 7.7051 7.7460 7.9086 7.9537 8.0775 8.0892 8.6415 8.6555 8.7578 8.7645 9.1349 9.1423 9.3111 9.3808 9.7932 9.8290 9.9177 9.9518 12.7969 12.8223 13.0081 13.0172 13.0417 13.0529 15.0017 15.0062 k = 0.1246-0.0004-0.1250 ( 2755 PWs) bands (ev): -45.9286 -45.9286 -22.6506 -22.6496 -21.9999 -21.9989 -21.9931 -21.9923 -14.3769 -14.3768 -6.5040 -6.5004 -5.8306 -5.8244 -5.8169 -5.8137 -0.8942 -0.8906 0.9832 0.9863 1.0803 1.0865 7.6602 7.6993 7.8740 7.9165 8.0638 8.0750 8.5943 8.6099 8.7241 8.7308 9.1309 9.1359 9.2692 9.3312 9.7781 9.8120 9.9032 9.9362 12.8177 12.8435 13.0403 13.0452 13.0824 13.0912 15.0226 15.0273 k = 0.1335-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9285 -45.9285 -22.6512 -22.6501 -22.0010 -21.9998 -21.9935 -21.9926 -14.3724 -14.3723 -6.5044 -6.5005 -5.8299 -5.8234 -5.8136 -5.8102 -0.8878 -0.8839 0.9856 0.9890 1.0940 1.1002 7.6128 7.6496 7.8373 7.8769 8.0499 8.0606 8.5460 8.5632 8.6895 8.6963 9.1234 9.1263 9.2325 9.2839 9.7619 9.7943 9.8878 9.9197 12.8410 12.8670 13.0721 13.0744 13.1251 13.1333 15.0439 15.0489 k = 0.1425-0.0004-0.1429 ( 2756 PWs) bands (ev): -45.9285 -45.9285 -22.6519 -22.6508 -22.0022 -22.0009 -21.9939 -21.9930 -14.3677 -14.3675 -6.5046 -6.5005 -5.8292 -5.8224 -5.8099 -5.8063 -0.8815 -0.8771 0.9881 0.9918 1.1076 1.1138 7.5633 7.5977 7.7982 7.8348 8.0359 8.0463 8.4969 8.5155 8.6544 8.6612 9.1029 9.1143 9.2064 9.2424 9.7445 9.7756 9.8720 9.9029 12.8665 12.8928 13.1043 13.1054 13.1692 13.1776 15.0654 15.0706 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9285 -45.9285 -22.6526 -22.6514 -22.0034 -22.0020 -21.9942 -21.9933 -14.3628 -14.3626 -6.5046 -6.5004 -5.8284 -5.8214 -5.8058 -5.8020 -0.8752 -0.8704 0.9907 0.9948 1.1210 1.1273 7.5120 7.5440 7.7568 7.7904 8.0217 8.0319 8.4472 8.4668 8.6191 8.6255 9.0700 9.0922 9.1928 9.2127 9.7259 9.7559 9.8563 9.8863 12.8944 12.9207 13.1369 13.1385 13.2146 13.2234 15.0869 15.0924 k = 0.1603-0.0005-0.1607 ( 2740 PWs) bands (ev): -45.9284 -45.9284 -22.6533 -22.6520 -22.0046 -22.0031 -21.9946 -21.9936 -14.3577 -14.3576 -6.5043 -6.4999 -5.8275 -5.8203 -5.8014 -5.7974 -0.8691 -0.8638 0.9934 0.9978 1.1340 1.1404 7.4593 7.4892 7.7132 7.7439 8.0072 8.0175 8.3970 8.4173 8.5836 8.5896 9.0297 9.0572 9.1879 9.1973 9.7059 9.7348 9.8416 9.8707 12.9243 12.9508 13.1707 13.1730 13.2611 13.2702 15.1085 15.1142 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9284 -45.9284 -22.6540 -22.6527 -22.0059 -22.0043 -21.9950 -21.9940 -14.3525 -14.3524 -6.5038 -6.4992 -5.8266 -5.8192 -5.7967 -5.7925 -0.8632 -0.8573 0.9962 1.0010 1.1462 1.1530 7.4058 7.4335 7.6675 7.6955 7.9924 8.0030 8.3463 8.3669 8.5482 8.5536 8.9864 9.0138 9.1874 9.1922 9.6845 9.7122 9.8285 9.8565 12.9563 12.9828 13.2057 13.2087 13.3082 13.3178 15.1298 15.1357 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9283 -45.9283 -22.6548 -22.6534 -22.0072 -22.0055 -21.9954 -21.9943 -14.3472 -14.3471 -6.5029 -6.4982 -5.8256 -5.8180 -5.7916 -5.7872 -0.8576 -0.8510 0.9989 1.0042 1.1577 1.1650 7.3516 7.3773 7.6199 7.6454 7.9771 7.9884 8.2949 8.3154 8.5130 8.5175 8.9426 8.9674 9.1891 9.1928 9.6616 9.6877 9.8175 9.8443 12.9902 13.0167 13.2419 13.2454 13.3560 13.3658 15.1508 15.1570 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9282 -45.9282 -22.6556 -22.6542 -22.0085 -22.0068 -21.9958 -21.9947 -14.3418 -14.3416 -6.5016 -6.4968 -5.8247 -5.8168 -5.7863 -5.7818 -0.8522 -0.8450 1.0016 1.0074 1.1682 1.1763 7.2972 7.3211 7.5706 7.5938 7.9613 7.9736 8.2430 8.2629 8.4781 8.4816 8.8998 8.9210 9.1924 9.1963 9.6371 9.6614 9.8090 9.8343 13.0258 13.0522 13.2790 13.2831 13.4041 13.4142 15.1714 15.1778 k = 0.1959-0.0006-0.1964 ( 2742 PWs) bands (ev): -45.9282 -45.9282 -22.6564 -22.6550 -22.0099 -22.0081 -21.9962 -21.9951 -14.3363 -14.3361 -6.4998 -6.4949 -5.8236 -5.8156 -5.7808 -5.7761 -0.8472 -0.8392 1.0043 1.0107 1.1776 1.1868 7.2428 7.2651 7.5200 7.5410 7.9448 7.9587 8.1903 8.2092 8.4435 8.4459 8.8591 8.8763 9.1971 9.2013 9.6112 9.6334 9.8033 9.8268 13.0630 13.0894 13.3170 13.3215 13.4525 13.4628 15.1916 15.1981 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9281 -45.9281 -22.6572 -22.6558 -22.0113 -22.0095 -21.9966 -21.9955 -14.3308 -14.3306 -6.4976 -6.4925 -5.8225 -5.8144 -5.7751 -5.7702 -0.8426 -0.8338 1.0068 1.0140 1.1858 1.1963 7.1888 7.2094 7.4683 7.4873 7.9274 7.9436 8.1368 8.1544 8.4091 8.4105 8.8212 8.8347 9.2027 9.2072 9.5839 9.6039 9.8002 9.8219 13.1016 13.1279 13.3556 13.3605 13.5011 13.5116 15.2111 15.2178 k = 0.2137-0.0006-0.2143 ( 2742 PWs) bands (ev): -45.9281 -45.9281 -22.6581 -22.6566 -22.0128 -22.0108 -21.9970 -21.9958 -14.3252 -14.3250 -6.4947 -6.4896 -5.8214 -5.8131 -5.7692 -5.7643 -0.8383 -0.8288 1.0092 1.0172 1.1927 1.2048 7.1352 7.1545 7.4157 7.4329 7.9086 7.9284 8.0827 8.0986 8.3750 8.3753 8.7869 8.7970 9.2092 9.2139 9.5555 9.5732 9.7999 9.8196 13.1415 13.1677 13.3947 13.4000 13.5496 13.5602 15.2299 15.2369 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9280 -45.9280 -22.6589 -22.6574 -22.0142 -22.0122 -21.9974 -21.9962 -14.3196 -14.3194 -6.4913 -6.4860 -5.8203 -5.8118 -5.7634 -5.7582 -0.8345 -0.8241 1.0115 1.0203 1.1984 1.2122 7.0823 7.1003 7.3626 7.3780 7.8878 7.9129 8.0278 8.0425 8.3404 8.3410 8.7568 8.7641 9.2161 9.2212 9.5261 9.5417 9.8020 9.8199 13.1825 13.2087 13.4341 13.4397 13.5981 13.6088 15.2480 15.2552 k = 0.2315-0.0007-0.2321 ( 2740 PWs) bands (ev): -45.9280 -45.9280 -22.6597 -22.6582 -22.0156 -22.0136 -21.9978 -21.9966 -14.3140 -14.3138 -6.4872 -6.4818 -5.8191 -5.8105 -5.7575 -5.7523 -0.8311 -0.8199 1.0134 1.0232 1.2028 1.2185 7.0303 7.0472 7.3090 7.3229 7.8635 7.8972 7.9715 7.9883 8.3057 8.3070 8.7314 8.7365 9.2234 9.2288 9.4960 9.5096 9.8066 9.8226 13.2246 13.2506 13.4736 13.4796 13.6464 13.6572 15.2653 15.2726 k = 0.2404-0.0007-0.2411 ( 2738 PWs) bands (ev): -45.9279 -45.9279 -22.6606 -22.6590 -22.0171 -22.0150 -21.9982 -21.9970 -14.3084 -14.3083 -6.4824 -6.4769 -5.8179 -5.8092 -5.7517 -5.7464 -0.8281 -0.8161 1.0151 1.0259 1.2060 1.2237 6.9793 6.9951 7.2553 7.2678 7.8332 7.8808 7.9134 7.9398 8.2712 8.2729 8.7110 8.7145 9.2310 9.2368 9.4656 9.4773 9.8135 9.8277 13.2674 13.2932 13.5131 13.5194 13.6944 13.7052 15.2817 15.2892 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9279 -45.9279 -22.6614 -22.6598 -22.0185 -22.0165 -21.9986 -21.9974 -14.3029 -14.3028 -6.4768 -6.4713 -5.8166 -5.8079 -5.7461 -5.7406 -0.8257 -0.8129 1.0163 1.0283 1.2079 1.2277 6.9294 6.9442 7.2017 7.2128 7.7938 7.8489 7.8685 7.9003 8.2370 8.2388 8.6959 8.6984 9.2386 9.2449 9.4349 9.4451 9.8224 9.8350 13.3109 13.3366 13.5524 13.5591 13.7421 13.7528 15.2973 15.3049 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9278 -45.9278 -22.6622 -22.6607 -22.0199 -22.0179 -21.9989 -21.9977 -14.2974 -14.2973 -6.4705 -6.4649 -5.8154 -5.8066 -5.7406 -5.7351 -0.8236 -0.8101 1.0171 1.0303 1.2089 1.2308 6.8806 6.8945 7.1484 7.1583 7.7452 7.7881 7.8509 7.8698 8.2029 8.2047 8.6862 8.6881 9.2461 9.2530 9.4044 9.4134 9.8333 9.8443 13.3549 13.3804 13.5914 13.5984 13.7892 13.7999 15.3119 15.3197 k = 0.2671-0.0008-0.2679 ( 2740 PWs) bands (ev): -45.9277 -45.9277 -22.6631 -22.6615 -22.0214 -22.0193 -21.9993 -21.9981 -14.2921 -14.2919 -6.4633 -6.4577 -5.8141 -5.8053 -5.7355 -5.7299 -0.8221 -0.8078 1.0174 1.0318 1.2088 1.2329 6.8331 6.8462 7.0955 7.1044 7.6904 7.7251 7.8344 7.8455 8.1692 8.1708 8.6817 8.6833 9.2531 9.2608 9.3744 9.3831 9.8460 9.8554 13.3992 13.4246 13.6300 13.6372 13.8358 13.8464 15.3255 15.3335 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9277 -45.9277 -22.6639 -22.6623 -22.0228 -22.0207 -21.9997 -21.9985 -14.2868 -14.2866 -6.4554 -6.4498 -5.8128 -5.8040 -5.7307 -5.7250 -0.8210 -0.8060 1.0170 1.0326 1.2081 1.2342 6.7870 6.7993 7.0433 7.0512 7.6322 7.6614 7.8176 7.8251 8.1359 8.1371 8.6822 8.6838 9.2585 9.2677 9.3457 9.3555 9.8602 9.8683 13.4438 13.4689 13.6679 13.6754 13.8818 13.8923 15.3381 15.3462 k = 0.2849-0.0008-0.2857 ( 2732 PWs) bands (ev): -45.9276 -45.9276 -22.6647 -22.6631 -22.0242 -22.0221 -22.0000 -21.9988 -14.2816 -14.2815 -6.4467 -6.4410 -5.8116 -5.8027 -5.7263 -5.7206 -0.8204 -0.8047 1.0159 1.0327 1.2068 1.2349 6.7421 6.7538 6.9919 6.9989 7.5723 7.5976 7.8002 7.8075 8.1031 8.1038 8.6871 8.6891 9.2596 9.2719 9.3199 9.3337 9.8759 9.8826 13.4884 13.5133 13.7052 13.7129 13.9270 13.9373 15.3497 15.3580 k = 0.2938-0.0008-0.2946 ( 2728 PWs) bands (ev): -45.9276 -45.9276 -22.6655 -22.6639 -22.0255 -22.0235 -22.0004 -21.9992 -14.2765 -14.2764 -6.4371 -6.4314 -5.8103 -5.8014 -5.7224 -5.7167 -0.8202 -0.8039 1.0140 1.0319 1.2052 1.2350 6.6987 6.7097 6.9416 6.9476 7.5118 7.5339 7.7829 7.7913 8.0708 8.0711 8.6960 8.6986 9.2518 9.2674 9.3042 9.3224 9.8927 9.8983 13.5329 13.5575 13.7417 13.7496 13.9713 13.9814 15.3603 15.3687 k = 0.3027-0.0009-0.3036 ( 2728 PWs) bands (ev): -45.9275 -45.9275 -22.6663 -22.6647 -22.0269 -22.0248 -22.0007 -21.9996 -14.2716 -14.2715 -6.4267 -6.4209 -5.8090 -5.8001 -5.7191 -5.7133 -0.8204 -0.8036 1.0112 1.0300 1.2036 1.2348 6.6567 6.6671 6.8923 6.8976 7.4512 7.4708 7.7661 7.7759 8.0390 8.0394 8.7083 8.7118 9.2347 9.2494 9.3038 9.3219 9.9106 9.9151 13.5771 13.6015 13.7773 13.7854 14.0146 14.0245 15.3699 15.3783 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9275 -45.9275 -22.6670 -22.6655 -22.0282 -22.0262 -22.0010 -21.9999 -14.2669 -14.2668 -6.4155 -6.4097 -5.8078 -5.7989 -5.7164 -5.7105 -0.8210 -0.8038 1.0076 1.0270 1.2021 1.2344 6.6162 6.6259 6.8445 6.8490 7.3911 7.4085 7.7500 7.7610 8.0078 8.0086 8.7232 8.7276 9.2137 9.2277 9.3096 9.3271 9.9293 9.9328 13.6209 13.6450 13.8118 13.8201 14.0569 14.0666 15.3785 15.3870 k = 0.3205-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9274 -45.9274 -22.6678 -22.6663 -22.0295 -22.0275 -22.0014 -22.0003 -14.2623 -14.2622 -6.4035 -6.3977 -5.8065 -5.7977 -5.7144 -5.7084 -0.8219 -0.8044 1.0031 1.0229 1.2010 1.2339 6.5771 6.5862 6.7981 6.8018 7.3318 7.3472 7.7346 7.7466 7.9774 7.9788 8.7397 8.7452 9.1928 9.2072 9.3171 9.3347 9.9487 9.9513 13.6642 13.6879 13.8453 13.8537 14.0981 14.1074 15.3861 15.3946 k = 0.3294-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9274 -45.9274 -22.6685 -22.6671 -22.0307 -22.0288 -22.0017 -22.0006 -14.2579 -14.2578 -6.3908 -6.3850 -5.8053 -5.7965 -5.7130 -5.7070 -0.8233 -0.8055 0.9977 1.0175 1.2003 1.2335 6.5395 6.5481 6.7533 6.7564 7.2736 7.2874 7.7200 7.7327 7.9481 7.9500 8.7569 8.7634 9.1743 9.1897 9.3252 9.3435 9.9684 9.9704 13.7068 13.7302 13.8775 13.8861 14.1379 14.1470 15.3926 15.4012 k = 0.3383-0.0010-0.3393 ( 2736 PWs) bands (ev): -45.9273 -45.9273 -22.6692 -22.6679 -22.0319 -22.0301 -22.0020 -22.0010 -14.2536 -14.2535 -6.3774 -6.3716 -5.8041 -5.7953 -5.7124 -5.7064 -0.8249 -0.8070 0.9914 1.0111 1.2002 1.2332 6.5035 6.5114 6.7103 6.7127 7.2169 7.2291 7.7062 7.7193 7.9197 7.9221 8.7733 8.7809 9.1596 9.1766 9.3336 9.3528 9.9884 9.9900 13.7485 13.7715 13.9085 13.9173 14.1764 14.1851 15.3983 15.4068 k = 0.3472-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9273 -45.9273 -22.6699 -22.6686 -22.0330 -22.0313 -22.0022 -22.0012 -14.2496 -14.2495 -6.3633 -6.3576 -5.8030 -5.7942 -5.7126 -5.7065 -0.8267 -0.8088 0.9845 1.0036 1.2007 1.2331 6.4689 6.4763 6.6693 6.6710 7.1618 7.1726 7.6931 7.7065 7.8925 7.8954 8.7877 8.7960 9.1502 9.1689 9.3421 9.3625 10.0084 10.0099 13.7892 13.8118 13.9382 13.9472 14.2133 14.2217 15.4030 15.4115 k = 0.3561-0.0010-0.3571 ( 2724 PWs) bands (ev): -45.9272 -45.9272 -22.6705 -22.6692 -22.0341 -22.0324 -22.0025 -22.0015 -14.2457 -14.2456 -6.3486 -6.3430 -5.8019 -5.7932 -5.7136 -5.7075 -0.8288 -0.8110 0.9769 0.9953 1.2017 1.2331 6.4360 6.4427 6.6303 6.6313 7.1087 7.1182 7.6809 7.6943 7.8665 7.8697 8.7985 8.8073 9.1471 9.1676 9.3506 9.3724 10.0282 10.0299 13.8287 13.8509 13.9665 13.9756 14.2487 14.2566 15.4068 15.4152 k = 0.3650-0.0010-0.3661 ( 2724 PWs) bands (ev): -45.9272 -45.9272 -22.6711 -22.6699 -22.0352 -22.0335 -22.0027 -22.0018 -14.2421 -14.2420 -6.3335 -6.3280 -5.8008 -5.7921 -5.7153 -5.7092 -0.8310 -0.8135 0.9688 0.9864 1.2032 1.2334 6.4045 6.4106 6.5934 6.5940 7.0576 7.0659 7.6696 7.6827 7.8416 7.8452 8.8051 8.8138 9.1510 9.1731 9.3591 9.3825 10.0477 10.0497 13.8670 13.8887 13.9934 14.0026 14.2824 14.2899 15.4098 15.4181 k = 0.3739-0.0011-0.3750 ( 2724 PWs) bands (ev): -45.9271 -45.9271 -22.6717 -22.6705 -22.0361 -22.0346 -22.0030 -22.0021 -14.2387 -14.2386 -6.3180 -6.3125 -5.7998 -5.7911 -5.7179 -5.7116 -0.8334 -0.8162 0.9603 0.9770 1.2052 1.2339 6.3746 6.3801 6.5585 6.5592 7.0088 7.0161 7.6591 7.6719 7.8179 7.8219 8.8070 8.8153 9.1617 9.1853 9.3676 9.3927 10.0669 10.0692 13.9038 13.9249 14.0187 14.0282 14.3143 14.3214 15.4121 15.4202 k = 0.3828-0.0011-0.3839 ( 2728 PWs) bands (ev): -45.9271 -45.9271 -22.6723 -22.6712 -22.0371 -22.0356 -22.0032 -22.0024 -14.2354 -14.2354 -6.3021 -6.2968 -5.7989 -5.7902 -5.7212 -5.7149 -0.8358 -0.8192 0.9517 0.9674 1.2075 1.2346 6.3463 6.3512 6.5259 6.5271 6.9625 6.9688 7.6495 7.6618 7.7955 7.7997 8.8047 8.8122 9.1781 9.2032 9.3761 9.4032 10.0856 10.0882 13.9389 13.9596 14.0425 14.0522 14.3443 14.3510 15.4136 15.4215 k = 0.3917-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9271 -45.9271 -22.6728 -22.6718 -22.0380 -22.0366 -22.0034 -22.0026 -14.2325 -14.2324 -6.2861 -6.2809 -5.7981 -5.7894 -5.7252 -5.7188 -0.8382 -0.8223 0.9430 0.9577 1.2101 1.2354 6.3196 6.3239 6.4957 6.4975 6.9188 6.9242 7.6408 7.6526 7.7743 7.7788 8.7992 8.8057 9.1986 9.2252 9.3848 9.4139 10.1036 10.1065 13.9723 13.9925 14.0648 14.0747 14.3724 14.3786 15.4145 15.4222 k = 0.4006-0.0011-0.4018 ( 2734 PWs) bands (ev): -45.9270 -45.9270 -22.6733 -22.6723 -22.0388 -22.0375 -22.0036 -22.0029 -14.2297 -14.2297 -6.2701 -6.2650 -5.7973 -5.7885 -5.7299 -5.7233 -0.8407 -0.8254 0.9345 0.9481 1.2128 1.2362 6.2946 6.2983 6.4681 6.4704 6.8779 6.8824 7.6331 7.6442 7.7544 7.7590 8.7913 8.7968 9.2215 9.2498 9.3938 9.4250 10.1209 10.1239 14.0038 14.0235 14.0853 14.0955 14.3985 14.4041 15.4149 15.4223 k = 0.4096-0.0012-0.4107 ( 2732 PWs) bands (ev): -45.9270 -45.9270 -22.6737 -22.6728 -22.0395 -22.0383 -22.0038 -22.0031 -14.2272 -14.2271 -6.2541 -6.2492 -5.7966 -5.7878 -5.7351 -5.7284 -0.8430 -0.8287 0.9263 0.9387 1.2156 1.2371 6.2712 6.2745 6.4431 6.4458 6.8399 6.8436 7.6264 7.6367 7.7358 7.7405 8.7821 8.7867 9.2453 9.2751 9.4033 9.4364 10.1372 10.1403 14.0332 14.0524 14.1042 14.1148 14.4224 14.4276 15.4148 15.4218 k = 0.4185-0.0012-0.4196 ( 2732 PWs) bands (ev): -45.9270 -45.9270 -22.6741 -22.6733 -22.0402 -22.0391 -22.0039 -22.0033 -14.2249 -14.2248 -6.2385 -6.2338 -5.7961 -5.7871 -5.7408 -5.7339 -0.8452 -0.8319 0.9185 0.9298 1.2185 1.2380 6.2497 6.2525 6.4208 6.4238 6.8049 6.8080 7.6206 7.6302 7.7184 7.7233 8.7723 8.7760 9.2687 9.2995 9.4139 9.4482 10.1525 10.1556 14.0604 14.0791 14.1214 14.1324 14.4443 14.4490 15.4144 15.4209 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9269 -45.9269 -22.6744 -22.6737 -22.0407 -22.0398 -22.0040 -22.0035 -14.2228 -14.2228 -6.2233 -6.2189 -5.7956 -5.7866 -5.7468 -5.7397 -0.8472 -0.8350 0.9113 0.9214 1.2213 1.2388 6.2300 6.2325 6.4011 6.4042 6.7731 6.7756 7.6160 7.6247 7.7024 7.7072 8.7625 8.7654 9.2906 9.3216 9.4259 9.4603 10.1665 10.1696 14.0853 14.1034 14.1369 14.1483 14.4639 14.4681 15.4137 15.4198 k = 0.4363-0.0012-0.4375 ( 2732 PWs) bands (ev): -45.9269 -45.9269 -22.6747 -22.6741 -22.0413 -22.0404 -22.0041 -22.0037 -14.2210 -14.2209 -6.2089 -6.2048 -5.7953 -5.7861 -5.7529 -5.7455 -0.8490 -0.8381 0.9047 0.9137 1.2241 1.2394 6.2123 6.2144 6.3840 6.3872 6.7446 6.7465 7.6123 7.6203 7.6876 7.6924 8.7530 8.7554 9.3103 9.3400 9.4396 9.4727 10.1793 10.1822 14.1076 14.1253 14.1507 14.1625 14.4814 14.4850 15.4128 15.4183 k = 0.4452-0.0013-0.4464 ( 2728 PWs) bands (ev): -45.9269 -45.9269 -22.6750 -22.6744 -22.0417 -22.0410 -22.0042 -22.0038 -14.2194 -14.2194 -6.1954 -6.1917 -5.7951 -5.7858 -5.7588 -5.7513 -0.8505 -0.8409 0.8989 0.9067 1.2267 1.2399 6.1967 6.1984 6.3694 6.3725 6.7195 6.7210 7.6098 7.6170 7.6741 7.6789 8.7443 8.7462 9.3274 9.3544 9.4548 9.4849 10.1907 10.1934 14.1273 14.1445 14.1627 14.1749 14.4966 14.4998 15.4119 15.4168 k = 0.4541-0.0013-0.4554 ( 2724 PWs) bands (ev): -45.9269 -45.9269 -22.6752 -22.6747 -22.0421 -22.0414 -22.0043 -22.0040 -14.2180 -14.2180 -6.1832 -6.1799 -5.7951 -5.7858 -5.7644 -5.7567 -0.8518 -0.8436 0.8940 0.9005 1.2292 1.2403 6.1832 6.1847 6.3573 6.3601 6.6980 6.6991 7.6084 7.6149 7.6619 7.6666 8.7366 8.7380 9.3418 9.3649 9.4705 9.4964 10.2006 10.2030 14.1444 14.1606 14.1733 14.1856 14.5096 14.5122 15.4109 15.4152 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9269 -45.9269 -22.6754 -22.6750 -22.0424 -22.0419 -22.0044 -22.0041 -14.2169 -14.2169 -6.1724 -6.1697 -5.7951 -5.7862 -5.7690 -5.7615 -0.8527 -0.8460 0.8899 0.8952 1.2314 1.2404 6.1720 6.1732 6.3475 6.3500 6.6800 6.6808 7.6081 7.6139 7.6510 7.6556 8.7300 8.7311 9.3536 9.3722 9.4857 9.5067 10.2089 10.2109 14.1586 14.1733 14.1828 14.1944 14.5203 14.5224 15.4101 15.4136 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9268 -45.9268 -22.6755 -22.6752 -22.0426 -22.0422 -22.0044 -22.0042 -14.2160 -14.2160 -6.1635 -6.1613 -5.7951 -5.7873 -5.7723 -5.7657 -0.8532 -0.8481 0.8868 0.8908 1.2335 1.2403 6.1631 6.1641 6.3401 6.3421 6.6658 6.6664 7.6089 7.6142 7.6414 7.6459 8.7248 8.7255 9.3629 9.3769 9.4992 9.5150 10.2156 10.2172 14.1700 14.1818 14.1918 14.2013 14.5288 14.5304 15.4095 15.4122 k = 0.4808-0.0014-0.4821 ( 2728 PWs) bands (ev): -45.9268 -45.9268 -22.6756 -22.6754 -22.0427 -22.0425 -22.0044 -22.0043 -14.2154 -14.2154 -6.1566 -6.1551 -5.7949 -5.7891 -5.7740 -5.7691 -0.8534 -0.8499 0.8847 0.8875 1.2353 1.2399 6.1567 6.1573 6.3348 6.3362 6.6555 6.6558 7.6109 7.6157 7.6331 7.6374 8.7209 8.7214 9.3700 9.3794 9.5102 9.5209 10.2206 10.2217 14.1787 14.1868 14.1994 14.2060 14.5350 14.5361 15.4092 15.4110 k = 0.4897-0.0014-0.4911 ( 2724 PWs) bands (ev): -45.9268 -45.9268 -22.6756 -22.6755 -22.0428 -22.0426 -22.0044 -22.0043 -14.2150 -14.2150 -6.1521 -6.1513 -5.7944 -5.7911 -5.7744 -5.7716 -0.8532 -0.8513 0.8836 0.8851 1.2368 1.2393 6.1527 6.1530 6.3317 6.3325 6.6490 6.6492 7.6140 7.6185 7.6260 7.6303 8.7185 8.7188 9.3751 9.3801 9.5182 9.5239 10.2238 10.2244 14.1848 14.1891 14.2050 14.2085 14.5390 14.5396 15.4091 15.4101 k = 0.4986-0.0014-0.5000 ( 2716 PWs) bands (ev): -45.9268 -45.9268 -22.6755 -22.6755 -22.0427 -22.0427 -22.0043 -22.0043 -14.2148 -14.2148 -6.1501 -6.1499 -5.7933 -5.7929 -5.7737 -5.7733 -0.8526 -0.8524 0.8836 0.8838 1.2381 1.2384 6.1512 6.1513 6.3307 6.3308 6.6465 6.6465 7.6183 7.6198 7.6230 7.6245 8.7176 8.7177 9.3784 9.3791 9.5229 9.5236 10.2253 10.2253 14.1882 14.1888 14.2081 14.2086 14.5407 14.5408 15.4093 15.4094 k = 0.5014 0.4972-0.0028 ( 2716 PWs) bands (ev): -45.9268 -45.9268 -22.6755 -22.6755 -22.0427 -22.0427 -22.0043 -22.0043 -14.2148 -14.2148 -6.1500 -6.1499 -5.7934 -5.7929 -5.7737 -5.7733 -0.8526 -0.8524 0.8836 0.8838 1.2381 1.2384 6.1512 6.1513 6.3307 6.3308 6.6464 6.6465 7.6183 7.6198 7.6230 7.6245 8.7176 8.7177 9.3784 9.3791 9.5229 9.5237 10.2253 10.2253 14.1882 14.1888 14.2081 14.2086 14.5407 14.5408 15.4093 15.4094 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9268 -45.9268 -22.6755 -22.6755 -22.0427 -22.0427 -22.0043 -22.0043 -14.2148 -14.2148 -6.1499 -6.1499 -5.7931 -5.7931 -5.7735 -5.7735 -0.8525 -0.8525 0.8836 0.8836 1.2382 1.2382 6.1512 6.1512 6.3307 6.3307 6.6464 6.6464 7.6190 7.6190 7.6237 7.6237 8.7176 8.7176 9.3788 9.3788 9.5233 9.5233 10.2253 10.2253 14.1886 14.1886 14.2084 14.2084 14.5408 14.5408 15.4094 15.4094 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9268 -45.9268 -22.6755 -22.6755 -22.0427 -22.0427 -22.0043 -22.0043 -14.2148 -14.2148 -6.1499 -6.1499 -5.7931 -5.7931 -5.7735 -5.7735 -0.8525 -0.8525 0.8836 0.8836 1.2382 1.2382 6.1512 6.1512 6.3307 6.3307 6.6464 6.6464 7.6190 7.6190 7.6237 7.6237 8.7176 8.7176 9.3788 9.3788 9.5233 9.5233 10.2253 10.2253 14.1886 14.1886 14.2084 14.2084 14.5408 14.5408 15.4094 15.4094 k = 0.5000 0.4986 0.0096 ( 2718 PWs) bands (ev): -45.9268 -45.9268 -22.6756 -22.6755 -22.0427 -22.0427 -22.0044 -22.0044 -14.2147 -14.2147 -6.1492 -6.1491 -5.7930 -5.7927 -5.7733 -5.7733 -0.8549 -0.8522 0.8824 0.8825 1.2343 1.2380 6.1509 6.1517 6.3335 6.3336 6.6464 6.6464 7.6192 7.6198 7.6248 7.6249 8.7130 8.7135 9.3799 9.3800 9.5238 9.5241 10.2254 10.2254 14.1882 14.1897 14.2088 14.2090 14.5411 14.5412 15.4139 15.4152 k = 0.5001 0.4987 0.0220 ( 2722 PWs) bands (ev): -45.9268 -45.9268 -22.6757 -22.6755 -22.0427 -22.0427 -22.0047 -22.0045 -14.2144 -14.2144 -6.1470 -6.1468 -5.7924 -5.7918 -5.7726 -5.7726 -0.8594 -0.8539 0.8789 0.8789 1.2263 1.2336 6.1508 6.1524 6.3418 6.3421 6.6464 6.6464 7.6203 7.6215 7.6282 7.6284 8.6998 8.7007 9.3834 9.3836 9.5257 9.5263 10.2257 10.2257 14.1887 14.1918 14.2101 14.2106 14.5422 14.5423 15.4287 15.4312 k = 0.5001 0.4987 0.0345 ( 2724 PWs) bands (ev): -45.9268 -45.9268 -22.6758 -22.6756 -22.0427 -22.0427 -22.0050 -22.0047 -14.2139 -14.2139 -6.1432 -6.1429 -5.7912 -5.7903 -5.7715 -5.7715 -0.8660 -0.8577 0.8730 0.8731 1.2144 1.2252 6.1510 6.1532 6.3557 6.3561 6.6464 6.6464 7.6224 7.6241 7.6338 7.6341 8.6782 8.6794 9.3892 9.3894 9.5289 9.5298 10.2262 10.2263 14.1898 14.1945 14.2126 14.2136 14.5439 14.5441 15.4535 15.4570 k = 0.5001 0.4987 0.0469 ( 2724 PWs) bands (ev): -45.9268 -45.9268 -22.6760 -22.6757 -22.0427 -22.0427 -22.0055 -22.0051 -14.2132 -14.2132 -6.1380 -6.1375 -5.7894 -5.7882 -5.7699 -5.7699 -0.8745 -0.8636 0.8648 0.8649 1.1985 1.2128 6.1513 6.1540 6.3750 6.3757 6.6463 6.6464 7.6252 7.6276 7.6416 7.6420 8.6487 8.6502 9.3972 9.3975 9.5335 9.5347 10.2270 10.2270 14.1915 14.1976 14.2167 14.2181 14.5464 14.5466 15.4877 15.4923 k = 0.5002 0.4988 0.0593 ( 2732 PWs) bands (ev): -45.9268 -45.9268 -22.6762 -22.6759 -22.0427 -22.0427 -22.0061 -22.0056 -14.2124 -14.2124 -6.1312 -6.1307 -5.7872 -5.7857 -5.7679 -5.7679 -0.8850 -0.8715 0.8544 0.8545 1.1790 1.1966 6.1517 6.1547 6.3995 6.4006 6.6463 6.6463 7.6287 7.6319 7.6513 7.6518 8.6118 8.6136 9.4073 9.4076 9.5394 9.5408 10.2279 10.2279 14.1938 14.2011 14.2226 14.2244 14.5496 14.5498 15.5308 15.5362 k = 0.5002 0.4988 0.0717 ( 2734 PWs) bands (ev): -45.9268 -45.9268 -22.6765 -22.6760 -22.0427 -22.0426 -22.0067 -22.0062 -14.2113 -14.2113 -6.1230 -6.1224 -5.7844 -5.7826 -5.7655 -5.7655 -0.8973 -0.8813 0.8418 0.8420 1.1560 1.1767 6.1522 6.1553 6.4292 6.4305 6.6463 6.6463 7.6329 7.6368 7.6628 7.6635 8.5683 8.5701 9.4195 9.4197 9.5466 9.5482 10.2290 10.2290 14.1969 14.2049 14.2306 14.2325 14.5535 14.5537 15.5819 15.5880 k = 0.5002 0.4988 0.0842 ( 2740 PWs) bands (ev): -45.9268 -45.9268 -22.6768 -22.6763 -22.0426 -22.0426 -22.0075 -22.0068 -14.2101 -14.2100 -6.1134 -6.1127 -5.7812 -5.7791 -5.7626 -5.7626 -0.9115 -0.8930 0.8272 0.8274 1.1298 1.1535 6.1526 6.1558 6.4637 6.4651 6.6463 6.6464 7.6375 7.6423 7.6760 7.6768 8.5187 8.5206 9.4337 9.4338 9.5552 9.5570 10.2303 10.2303 14.2010 14.2095 14.2403 14.2422 14.5580 14.5582 15.6403 15.6469 k = 0.5003 0.4989 0.0966 ( 2736 PWs) bands (ev): -45.9267 -45.9267 -22.6771 -22.6765 -22.0425 -22.0425 -22.0083 -22.0076 -14.2086 -14.2086 -6.1025 -6.1016 -5.7774 -5.7751 -5.7594 -5.7594 -0.9273 -0.9065 0.8107 0.8109 1.1008 1.1272 6.1530 6.1562 6.5027 6.5041 6.6463 6.6465 7.6424 7.6482 7.6905 7.6915 8.4640 8.4658 9.4498 9.4499 9.5652 9.5671 10.2318 10.2318 14.2063 14.2150 14.2518 14.2536 14.5632 14.5634 15.7050 15.7120 k = 0.5003 0.4989 0.1090 ( 2741 PWs) bands (ev): -45.9267 -45.9267 -22.6774 -22.6768 -22.0425 -22.0425 -22.0092 -22.0084 -14.2071 -14.2070 -6.0903 -6.0893 -5.7732 -5.7706 -5.7557 -5.7557 -0.9446 -0.9217 0.7923 0.7926 1.0690 1.0980 6.1533 6.1565 6.5457 6.5469 6.6464 6.6469 7.6473 7.6542 7.7059 7.7072 8.4050 8.4067 9.4677 9.4679 9.5767 9.5786 10.2334 10.2335 14.2129 14.2217 14.2648 14.2665 14.5691 14.5692 15.7751 15.7823 k = 0.5004 0.4989 0.1215 ( 2738 PWs) bands (ev): -45.9267 -45.9267 -22.6778 -22.6771 -22.0424 -22.0424 -22.0102 -22.0093 -14.2053 -14.2053 -6.0768 -6.0757 -5.7686 -5.7657 -5.7517 -5.7517 -0.9635 -0.9385 0.7723 0.7726 1.0350 1.0663 6.1536 6.1566 6.5925 6.5926 6.6465 6.6478 7.6520 7.6600 7.7221 7.7236 8.3427 8.3442 9.4875 9.4878 9.5896 9.5915 10.2352 10.2354 14.2210 14.2297 14.2792 14.2808 14.5755 14.5756 15.8496 15.8571 k = 0.5004 0.4990 0.1339 ( 2736 PWs) bands (ev): -45.9267 -45.9267 -22.6781 -22.6774 -22.0423 -22.0423 -22.0112 -22.0103 -14.2034 -14.2034 -6.0622 -6.0610 -5.7636 -5.7604 -5.7474 -5.7474 -0.9836 -0.9568 0.7508 0.7511 0.9990 1.0324 6.1537 6.1566 6.6347 6.6402 6.6490 6.6555 7.6560 7.6652 7.7384 7.7403 8.2784 8.2795 9.5091 9.5096 9.6040 9.6060 10.2372 10.2373 14.2306 14.2391 14.2950 14.2964 14.5825 14.5826 15.9277 15.9353 k = 0.5004 0.4990 0.1463 ( 2735 PWs) bands (ev): -45.9266 -45.9266 -22.6786 -22.6777 -22.0423 -22.0422 -22.0124 -22.0114 -14.2014 -14.2014 -6.0465 -6.0451 -5.7581 -5.7547 -5.7427 -5.7427 -1.0050 -0.9764 0.7279 0.7283 0.9614 0.9965 6.1537 6.1564 6.6438 6.6460 6.6964 6.6988 7.6587 7.6691 7.7542 7.7566 8.2138 8.2142 9.5326 9.5332 9.6199 9.6219 10.2393 10.2395 14.2417 14.2499 14.3120 14.3133 14.5900 14.5900 16.0084 16.0160 k = 0.5005 0.4990 0.1587 ( 2736 PWs) bands (ev): -45.9266 -45.9266 -22.6790 -22.6781 -22.0422 -22.0421 -22.0136 -22.0125 -14.1993 -14.1993 -6.0298 -6.0283 -5.7524 -5.7486 -5.7377 -5.7377 -1.0274 -0.9973 0.7038 0.7042 0.9223 0.9590 6.1535 6.1561 6.6449 6.6462 6.7517 6.7523 7.6591 7.6706 7.7690 7.7718 8.1503 8.1510 9.5578 9.5586 9.6375 9.6395 10.2415 10.2418 14.2542 14.2621 14.3301 14.3313 14.5980 14.5980 16.0907 16.0982 k = 0.5005 0.4991 0.1712 ( 2730 PWs) bands (ev): -45.9266 -45.9266 -22.6794 -22.6785 -22.0421 -22.0420 -22.0148 -22.0137 -14.1971 -14.1970 -6.0121 -6.0106 -5.7463 -5.7422 -5.7325 -5.7324 -1.0507 -1.0192 0.6787 0.6791 0.8823 0.9202 6.1530 6.1555 6.6454 6.6464 6.8082 6.8090 7.6556 7.6677 7.7817 7.7849 8.0910 8.0931 9.5847 9.5856 9.6568 9.6587 10.2439 10.2442 14.2682 14.2756 14.3493 14.3504 14.6063 14.6065 16.1736 16.1811 k = 0.5005 0.4991 0.1836 ( 2728 PWs) bands (ev): -45.9265 -45.9265 -22.6799 -22.6790 -22.0420 -22.0419 -22.0160 -22.0149 -14.1947 -14.1947 -5.9937 -5.9921 -5.7399 -5.7356 -5.7270 -5.7268 -1.0748 -1.0422 0.6527 0.6532 0.8414 0.8804 6.1524 6.1547 6.6457 6.6466 6.8654 6.8678 7.6456 7.6574 7.7915 7.7945 8.0402 8.0444 9.6132 9.6143 9.6777 9.6796 10.2463 10.2467 14.2835 14.2905 14.3694 14.3704 14.6151 14.6153 16.2562 16.2637 k = 0.5006 0.4991 0.1960 ( 2728 PWs) bands (ev): -45.9265 -45.9265 -22.6804 -22.6794 -22.0419 -22.0418 -22.0174 -22.0162 -14.1923 -14.1923 -5.9746 -5.9728 -5.7333 -5.7287 -5.7213 -5.7210 -1.0995 -1.0659 0.6260 0.6265 0.8001 0.8398 6.1514 6.1536 6.6459 6.6467 6.9233 6.9276 7.6256 7.6359 7.7983 7.7996 8.0031 8.0093 9.6433 9.6445 9.7002 9.7021 10.2489 10.2493 14.3000 14.3065 14.3903 14.3913 14.6242 14.6245 16.3375 16.3449 k = 0.5006 0.4992 0.2085 ( 2732 PWs) bands (ev): -45.9265 -45.9265 -22.6809 -22.6799 -22.0418 -22.0417 -22.0187 -22.0175 -14.1898 -14.1898 -5.9548 -5.9530 -5.7266 -5.7217 -5.7153 -5.7150 -1.1246 -1.0903 0.5988 0.5993 0.7587 0.7989 6.1501 6.1521 6.6462 6.6469 6.9813 6.9877 7.5927 7.6004 7.8011 7.8032 7.9821 7.9897 9.6748 9.6762 9.7244 9.7263 10.2515 10.2519 14.3176 14.3236 14.4120 14.4129 14.6336 14.6340 16.4163 16.4239 k = 0.5006 0.4992 0.2209 ( 2728 PWs) bands (ev): -45.9264 -45.9264 -22.6814 -22.6804 -22.0417 -22.0416 -22.0201 -22.0188 -14.1873 -14.1873 -5.9346 -5.9326 -5.7197 -5.7145 -5.7092 -5.7088 -1.1501 -1.1151 0.5712 0.5718 0.7173 0.7577 6.1484 6.1503 6.6465 6.6472 7.0390 7.0477 7.5466 7.5518 7.8013 7.8081 7.9754 7.9834 9.7076 9.7091 9.7502 9.7521 10.2541 10.2547 14.3361 14.3417 14.4343 14.4352 14.6432 14.6437 16.4918 16.4996 k = 0.5007 0.4992 0.2333 ( 2728 PWs) bands (ev): -45.9264 -45.9264 -22.6819 -22.6809 -22.0416 -22.0415 -22.0215 -22.0202 -14.1847 -14.1847 -5.9140 -5.9119 -5.7127 -5.7073 -5.7028 -5.7024 -1.1756 -1.1404 0.5434 0.5441 0.6762 0.7166 6.1463 6.1480 6.6468 6.6474 7.0956 7.1069 7.4907 7.4938 7.8028 7.8145 7.9781 7.9858 9.7416 9.7430 9.7775 9.7794 10.2568 10.2575 14.3555 14.3606 14.4571 14.4579 14.6530 14.6536 16.5629 16.5710 k = 0.5007 0.4993 0.2457 ( 2730 PWs) bands (ev): -45.9263 -45.9263 -22.6824 -22.6814 -22.0415 -22.0414 -22.0229 -22.0216 -14.1821 -14.1821 -5.8932 -5.8910 -5.7056 -5.7001 -5.6963 -5.6959 -1.2012 -1.1658 0.5157 0.5165 0.6357 0.6758 6.1436 6.1451 6.6471 6.6477 7.1501 7.1644 7.4290 7.4309 7.8063 7.8225 7.9859 7.9932 9.7764 9.7779 9.8062 9.8081 10.2596 10.2603 14.3755 14.3801 14.4803 14.4811 14.6630 14.6637 16.6286 16.6372 k = 0.5007 0.4993 0.2582 ( 2730 PWs) bands (ev): -45.9263 -45.9263 -22.6829 -22.6819 -22.0414 -22.0413 -22.0242 -22.0229 -14.1795 -14.1795 -5.8722 -5.8699 -5.6987 -5.6931 -5.6894 -5.6892 -1.2266 -1.1913 0.4881 0.4889 0.5959 0.6356 6.1402 6.1417 6.6474 6.6480 7.2007 7.2178 7.3666 7.3676 7.8118 7.8321 7.9963 8.0032 9.8120 9.8135 9.8361 9.8381 10.2623 10.2632 14.3960 14.4002 14.5038 14.5045 14.6731 14.6739 16.6882 16.6974 k = 0.5008 0.4994 0.2706 ( 2732 PWs) bands (ev): -45.9263 -45.9263 -22.6834 -22.6824 -22.0414 -22.0413 -22.0256 -22.0243 -14.1770 -14.1769 -5.8513 -5.8488 -5.6918 -5.6864 -5.6824 -5.6824 -1.2516 -1.2166 0.4608 0.4617 0.5571 0.5961 6.1363 6.1376 6.6477 6.6483 7.2360 7.2514 7.3167 7.3210 7.8193 7.8433 8.0078 8.0143 9.8480 9.8496 9.8672 9.8692 10.2651 10.2660 14.4169 14.4206 14.5274 14.5281 14.6832 14.6841 16.7408 16.7510 k = 0.5008 0.4994 0.2830 ( 2742 PWs) bands (ev): -45.9262 -45.9262 -22.6840 -22.6830 -22.0413 -22.0412 -22.0269 -22.0257 -14.1744 -14.1744 -5.8305 -5.8279 -5.6851 -5.6798 -5.6755 -5.6752 -1.2762 -1.2417 0.4340 0.4350 0.5195 0.5575 6.1315 6.1327 6.6480 6.6486 7.2099 7.2143 7.3252 7.3439 7.8285 7.8559 8.0194 8.0257 9.8843 9.8858 9.8992 9.9012 10.2678 10.2688 14.4379 14.4413 14.5511 14.5517 14.6933 14.6943 16.7863 16.7976 k = 0.5008 0.4994 0.2955 ( 2736 PWs) bands (ev): -45.9262 -45.9262 -22.6844 -22.6835 -22.0413 -22.0411 -22.0282 -22.0269 -14.1719 -14.1719 -5.8100 -5.8072 -5.6785 -5.6734 -5.6685 -5.6679 -1.3001 -1.2664 0.4078 0.4089 0.4833 0.5201 6.1259 6.1270 6.6484 6.6489 7.1518 7.1541 7.3643 7.3883 7.8396 7.8701 8.0308 8.0370 9.9204 9.9219 9.9319 9.9340 10.2704 10.2716 14.4589 14.4619 14.5746 14.5752 14.7035 14.7045 16.8243 16.8370 k = 0.5009 0.4995 0.3079 ( 2734 PWs) bands (ev): -45.9261 -45.9261 -22.6849 -22.6840 -22.0412 -22.0411 -22.0294 -22.0282 -14.1694 -14.1694 -5.7899 -5.7870 -5.6721 -5.6672 -5.6616 -5.6608 -1.3233 -1.2905 0.3824 0.3836 0.4485 0.4840 6.1194 6.1204 6.6487 6.6492 7.0917 7.0934 7.4046 7.4320 7.8527 7.8856 8.0417 8.0477 9.9561 9.9573 9.9654 9.9674 10.2730 10.2744 14.4797 14.4824 14.5979 14.5985 14.7135 14.7146 16.8553 16.8695 k = 0.5009 0.4995 0.3203 ( 2740 PWs) bands (ev): -45.9261 -45.9261 -22.6854 -22.6845 -22.0412 -22.0410 -22.0306 -22.0294 -14.1670 -14.1670 -5.7705 -5.7673 -5.6660 -5.6611 -5.6548 -5.6537 -1.3456 -1.3139 0.3579 0.3592 0.4154 0.4493 6.1120 6.1128 6.6491 6.6495 7.0336 7.0350 7.4423 7.4720 7.8680 7.9026 8.0518 8.0579 9.9910 9.9918 9.9993 10.0011 10.2755 10.2771 14.5002 14.5026 14.6208 14.6214 14.7234 14.7246 16.8796 16.8955 k = 0.5010 0.4995 0.3328 ( 2738 PWs) bands (ev): -45.9261 -45.9261 -22.6858 -22.6850 -22.0411 -22.0409 -22.0318 -22.0306 -14.1647 -14.1647 -5.7517 -5.7483 -5.6601 -5.6551 -5.6481 -5.6469 -1.3669 -1.3365 0.3344 0.3359 0.3841 0.4162 6.1036 6.1043 6.6494 6.6498 6.9788 6.9801 7.4763 7.5075 7.8854 7.9209 8.0612 8.0673 10.0250 10.0252 10.0332 10.0348 10.2780 10.2797 14.5202 14.5222 14.6431 14.6437 14.7332 14.7345 16.8981 16.9157 k = 0.5010 0.4996 0.3452 ( 2742 PWs) bands (ev): -45.9260 -45.9260 -22.6863 -22.6854 -22.0410 -22.0409 -22.0329 -22.0318 -14.1626 -14.1625 -5.7338 -5.7301 -5.6544 -5.6494 -5.6416 -5.6404 -1.3871 -1.3581 0.3122 0.3137 0.3547 0.3849 6.0943 6.0949 6.6498 6.6501 6.9280 6.9292 7.5064 7.5382 7.9050 7.9402 8.0697 8.0759 10.0575 10.0578 10.0666 10.0680 10.2803 10.2823 14.5394 14.5412 14.6648 14.6654 14.7428 14.7441 16.9117 16.9309 k = 0.5010 0.4996 0.3576 ( 2750 PWs) bands (ev): -45.9260 -45.9260 -22.6867 -22.6859 -22.0411 -22.0409 -22.0339 -22.0328 -14.1605 -14.1605 -5.7169 -5.7130 -5.6490 -5.6438 -5.6354 -5.6342 -1.4059 -1.3786 0.2912 0.2928 0.3273 0.3554 6.0841 6.0846 6.6501 6.6504 6.8815 6.8825 7.5327 7.5641 7.9263 7.9603 8.0775 8.0838 10.0886 10.0893 10.0989 10.1001 10.2825 10.2847 14.5577 14.5593 14.6856 14.6862 14.7522 14.7534 16.9212 16.9420 k = 0.5011 0.4996 0.3700 ( 2746 PWs) bands (ev): -45.9260 -45.9260 -22.6871 -22.6863 -22.0410 -22.0409 -22.0348 -22.0338 -14.1585 -14.1585 -5.7011 -5.6969 -5.6438 -5.6383 -5.6294 -5.6283 -1.4235 -1.3980 0.2716 0.2734 0.3020 0.3279 6.0732 6.0736 6.6504 6.6507 6.8395 6.8404 7.5552 7.5854 7.9489 7.9807 8.0844 8.0910 10.1183 10.1193 10.1297 10.1309 10.2846 10.2871 14.5750 14.5764 14.7055 14.7060 14.7612 14.7625 16.9277 16.9499 k = 0.5011 0.4997 0.3825 ( 2750 PWs) bands (ev): -45.9260 -45.9260 -22.6874 -22.6867 -22.0411 -22.0409 -22.0356 -22.0347 -14.1567 -14.1567 -5.6867 -5.6821 -5.6389 -5.6330 -5.6238 -5.6229 -1.4395 -1.4160 0.2536 0.2555 0.2790 0.3025 6.0618 6.0621 6.6507 6.6510 6.8021 6.8029 7.5744 7.6025 7.9720 8.0008 8.0905 8.0975 10.1463 10.1477 10.1587 10.1600 10.2865 10.2894 14.5911 14.5922 14.7242 14.7247 14.7700 14.7712 16.9319 16.9553 k = 0.5011 0.4997 0.3949 ( 2752 PWs) bands (ev): -45.9259 -45.9259 -22.6877 -22.6871 -22.0411 -22.0410 -22.0363 -22.0355 -14.1551 -14.1551 -5.6738 -5.6689 -5.6341 -5.6279 -5.6186 -5.6179 -1.4540 -1.4326 0.2371 0.2391 0.2582 0.2792 6.0502 6.0504 6.6510 6.6512 6.7693 6.7700 7.5905 7.6162 7.9950 8.0200 8.0960 8.1034 10.1723 10.1740 10.1855 10.1869 10.2883 10.2916 14.6058 14.6068 14.7416 14.7420 14.7783 14.7794 16.9347 16.9588 k = 0.5012 0.4997 0.4073 ( 2750 PWs) bands (ev): -45.9259 -45.9259 -22.6880 -22.6874 -22.0412 -22.0410 -22.0369 -22.0361 -14.1536 -14.1536 -5.6626 -5.6573 -5.6294 -5.6228 -5.6138 -5.6133 -1.4669 -1.4478 0.2224 0.2245 0.2398 0.2582 6.0386 6.0387 6.6512 6.6514 6.7411 6.7416 7.6040 7.6268 8.0170 8.0379 8.1008 8.1087 10.1960 10.1982 10.2099 10.2115 10.2900 10.2937 14.6190 14.6199 14.7574 14.7578 14.7861 14.7872 16.9366 16.9609 k = 0.5012 0.4998 0.4198 ( 2753 PWs) bands (ev): -45.9259 -45.9259 -22.6882 -22.6878 -22.0413 -22.0411 -22.0374 -22.0367 -14.1523 -14.1522 -5.6531 -5.6478 -5.6246 -5.6179 -5.6095 -5.6092 -1.4781 -1.4613 0.2096 0.2116 0.2237 0.2395 6.0275 6.0276 6.6515 6.6516 6.7171 6.7176 7.6151 7.6350 8.0375 8.0538 8.1051 8.1137 10.2172 10.2197 10.2317 10.2334 10.2915 10.2958 14.6307 14.6314 14.7716 14.7720 14.7934 14.7943 16.9384 16.9619 k = 0.5012 0.4998 0.4322 ( 2762 PWs) bands (ev): -45.9259 -45.9259 -22.6885 -22.6881 -22.0414 -22.0413 -22.0378 -22.0372 -14.1511 -14.1511 -5.6454 -5.6405 -5.6196 -5.6133 -5.6056 -5.6056 -1.4875 -1.4732 0.1986 0.2006 0.2100 0.2232 6.0172 6.0172 6.6517 6.6518 6.6972 6.6976 7.6243 7.6410 8.0556 8.0674 8.1090 8.1182 10.2355 10.2385 10.2505 10.2523 10.2931 10.2979 14.6407 14.6413 14.7840 14.7842 14.8000 14.8008 16.9403 16.9618 k = 0.5013 0.4998 0.4446 ( 2770 PWs) bands (ev): -45.9259 -45.9259 -22.6887 -22.6883 -22.0416 -22.0415 -22.0381 -22.0376 -14.1502 -14.1502 -5.6394 -5.6352 -5.6147 -5.6093 -5.6023 -5.6022 -1.4951 -1.4833 0.1897 0.1915 0.1986 0.2094 6.0081 6.0081 6.6518 6.6519 6.6813 6.6815 7.6318 7.6453 8.0709 8.0784 8.1127 8.1223 10.2506 10.2541 10.2661 10.2680 10.2948 10.3002 14.6490 14.6495 14.7942 14.7944 14.8058 14.8065 16.9426 16.9604 k = 0.5013 0.4999 0.4570 ( 2784 PWs) bands (ev): -45.9259 -45.9259 -22.6889 -22.6886 -22.0417 -22.0417 -22.0383 -22.0380 -14.1494 -14.1494 -5.6349 -5.6317 -5.6103 -5.6060 -5.5995 -5.5994 -1.5008 -1.4917 0.1830 0.1843 0.1897 0.1980 6.0005 6.0005 6.6519 6.6520 6.6690 6.6692 7.6378 7.6482 8.0829 8.0867 8.1164 8.1257 10.2625 10.2662 10.2783 10.2801 10.2970 10.3025 14.6556 14.6560 14.8023 14.8023 14.8109 14.8113 16.9453 16.9572 k = 0.5013 0.4999 0.4695 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6888 -22.0419 -22.0419 -22.0385 -22.0382 -14.1489 -14.1489 -5.6317 -5.6295 -5.6067 -5.6038 -5.5971 -5.5970 -1.5046 -1.4982 0.1783 0.1791 0.1832 0.1892 5.9947 5.9947 6.6520 6.6521 6.6601 6.6603 7.6425 7.6497 8.0911 8.0925 8.1204 8.1281 10.2710 10.2745 10.2870 10.2881 10.3003 10.3049 14.6605 14.6607 14.8079 14.8079 14.8151 14.8153 16.9475 16.9527 k = 0.5014 0.5000 0.4819 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6889 -22.0420 -22.0420 -22.0385 -22.0384 -14.1485 -14.1485 -5.6297 -5.6284 -5.6043 -5.6027 -5.5955 -5.5954 -1.5066 -1.5029 0.1757 0.1760 0.1792 0.1829 5.9909 5.9909 6.6520 6.6521 6.6547 6.6547 7.6459 7.6501 8.0959 8.0962 8.1241 8.1290 10.2765 10.2788 10.2922 10.2925 10.3041 10.3067 14.6636 14.6637 14.8112 14.8113 14.8180 14.8181 16.9476 16.9484 k = 0.5014 0.5000 0.4943 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1484 -14.1484 -5.6286 -5.6282 -5.6030 -5.6026 -5.5947 -5.5947 -1.5066 -1.5057 0.1747 0.1747 0.1783 0.1793 5.9893 5.9893 6.6517 6.6517 6.6527 6.6527 7.6483 7.6493 8.0978 8.0978 8.1269 8.1282 10.2792 10.2799 10.2943 10.2943 10.3065 10.3072 14.6649 14.6650 14.8126 14.8126 14.8193 14.8193 16.9466 16.9472 k = 0.5014 0.5000 0.4943 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1484 -14.1484 -5.6286 -5.6282 -5.6030 -5.6026 -5.5947 -5.5947 -1.5066 -1.5057 0.1747 0.1747 0.1783 0.1793 5.9893 5.9893 6.6517 6.6517 6.6527 6.6527 7.6483 7.6493 8.0978 8.0978 8.1269 8.1282 10.2792 10.2799 10.2943 10.2943 10.3065 10.3072 14.6649 14.6650 14.8126 14.8126 14.8193 14.8193 16.9466 16.9472 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1483 -14.1483 -5.6284 -5.6284 -5.6027 -5.6027 -5.5946 -5.5946 -1.5062 -1.5062 0.1746 0.1746 0.1787 0.1787 5.9892 5.9892 6.6516 6.6516 6.6527 6.6527 7.6489 7.6489 8.0979 8.0979 8.1276 8.1276 10.2796 10.2796 10.2944 10.2944 10.3069 10.3069 14.6650 14.6650 14.8126 14.8126 14.8194 14.8194 16.9465 16.9465 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9279 -45.9279 -22.6616 -22.6616 -22.0264 -22.0264 -21.9889 -21.9889 -14.2906 -14.2906 -6.7346 -6.7346 -5.7983 -5.7983 -5.5443 -5.5443 -0.7370 -0.7370 1.1570 1.1570 1.3139 1.3139 6.4274 6.4274 7.6322 7.6322 7.6487 7.6487 8.1998 8.1998 8.2500 8.2500 8.6226 8.6226 8.7136 8.7136 9.3665 9.3665 9.4991 9.4991 12.8857 12.8857 14.1199 14.1199 14.2196 14.2196 14.8061 14.8061 k = 0.5001 0.0075 0.0075 ( 2754 PWs) bands (ev): -45.9279 -45.9279 -22.6617 -22.6616 -22.0264 -22.0264 -21.9889 -21.9889 -14.2905 -14.2905 -6.7338 -6.7338 -5.7982 -5.7982 -5.5447 -5.5446 -0.7373 -0.7371 1.1569 1.1569 1.3130 1.3136 6.4268 6.4274 7.6319 7.6327 7.6478 7.6486 8.1923 8.1953 8.2428 8.2432 8.6279 8.6285 8.7213 8.7217 9.3634 9.3641 9.4976 9.4977 12.8877 12.8878 14.1197 14.1201 14.2189 14.2200 14.8090 14.8099 k = 0.5001 0.0164 0.0163 ( 2752 PWs) bands (ev): -45.9278 -45.9278 -22.6618 -22.6617 -22.0265 -22.0264 -21.9890 -21.9890 -14.2901 -14.2901 -6.7316 -6.7315 -5.7978 -5.7978 -5.5458 -5.5456 -0.7380 -0.7376 1.1565 1.1565 1.3109 1.3120 6.4257 6.4269 7.6315 7.6334 7.6459 7.6475 8.1710 8.1777 8.2256 8.2259 8.6433 8.6443 8.7435 8.7442 9.3548 9.3562 9.4931 9.4933 12.8941 12.8942 14.1195 14.1203 14.2178 14.2198 14.8185 14.8203 k = 0.5002 0.0253 0.0252 ( 2750 PWs) bands (ev): -45.9278 -45.9278 -22.6619 -22.6617 -22.0266 -22.0264 -21.9892 -21.9892 -14.2895 -14.2895 -6.7278 -6.7278 -5.7971 -5.7971 -5.5476 -5.5474 -0.7390 -0.7384 1.1558 1.1559 1.3076 1.3092 6.4240 6.4258 7.6304 7.6341 7.6438 7.6454 8.1350 8.1453 8.2049 8.2062 8.6668 8.6677 8.7767 8.7776 9.3408 9.3430 9.4858 9.4860 12.9046 12.9047 14.1193 14.1205 14.2164 14.2194 14.8346 14.8371 k = 0.5002 0.0342 0.0341 ( 2752 PWs) bands (ev): -45.9278 -45.9278 -22.6621 -22.6619 -22.0267 -22.0264 -21.9895 -21.9895 -14.2887 -14.2887 -6.7225 -6.7225 -5.7961 -5.7961 -5.5501 -5.5498 -0.7404 -0.7397 1.1546 1.1548 1.3032 1.3053 6.4218 6.4241 7.6273 7.6339 7.6424 7.6430 8.0878 8.1008 8.1844 8.1860 8.6962 8.6970 8.8173 8.8181 9.3216 9.3244 9.4758 9.4761 12.9191 12.9193 14.1192 14.1208 14.2149 14.2187 14.8571 14.8603 k = 0.5003 0.0431 0.0430 ( 2754 PWs) bands (ev): -45.9278 -45.9278 -22.6623 -22.6620 -22.0268 -22.0265 -21.9899 -21.9899 -14.2877 -14.2877 -6.7158 -6.7157 -5.7948 -5.7948 -5.5532 -5.5529 -0.7422 -0.7414 1.1529 1.1532 1.2978 1.3003 6.4190 6.4219 7.6211 7.6308 7.6421 7.6423 8.0341 8.0494 8.1638 8.1653 8.7302 8.7307 8.8621 8.8627 9.2972 9.3008 9.4634 9.4637 12.9376 12.9379 14.1192 14.1213 14.2133 14.2178 14.8856 14.8894 k = 0.5003 0.0520 0.0518 ( 2755 PWs) bands (ev): -45.9278 -45.9278 -22.6626 -22.6622 -22.0270 -22.0266 -21.9903 -21.9903 -14.2865 -14.2864 -6.7076 -6.7075 -5.7933 -5.7933 -5.5570 -5.5566 -0.7445 -0.7436 1.1504 1.1510 1.2916 1.2946 6.4159 6.4193 7.6117 7.6238 7.6430 7.6431 7.9771 7.9947 8.1430 8.1443 8.7678 8.7680 8.9090 8.9092 9.2680 9.2723 9.4489 9.4492 12.9600 12.9603 14.1195 14.1219 14.2118 14.2169 14.9200 14.9243 k = 0.5004 0.0609 0.0607 ( 2747 PWs) bands (ev): -45.9278 -45.9278 -22.6628 -22.6624 -22.0271 -22.0267 -21.9908 -21.9908 -14.2850 -14.2850 -6.6979 -6.6978 -5.7915 -5.7915 -5.5613 -5.5609 -0.7473 -0.7464 1.1470 1.1477 1.2847 1.2881 6.4123 6.4162 7.5988 7.6135 7.6442 7.6444 7.9194 7.9395 8.1225 8.1236 8.8082 8.8082 8.9562 8.9568 9.2343 9.2394 9.4326 9.4329 12.9859 12.9863 14.1202 14.1228 14.2105 14.2161 14.9600 14.9647 k = 0.5004 0.0698 0.0696 ( 2751 PWs) bands (ev): -45.9278 -45.9278 -22.6632 -22.6627 -22.0273 -22.0269 -21.9914 -21.9914 -14.2833 -14.2833 -6.6868 -6.6867 -5.7894 -5.7894 -5.5662 -5.5657 -0.7507 -0.7499 1.1423 1.1433 1.2774 1.2811 6.4084 6.4128 7.5819 7.5991 7.6453 7.6457 7.8633 7.8859 8.1025 8.1034 8.8506 8.8509 9.0026 9.0042 9.1963 9.2026 9.4150 9.4152 13.0152 13.0157 14.1212 14.1241 14.2096 14.2156 15.0051 15.0101 k = 0.5005 0.0787 0.0785 ( 2750 PWs) bands (ev): -45.9277 -45.9277 -22.6635 -22.6630 -22.0276 -22.0270 -21.9921 -21.9921 -14.2814 -14.2814 -6.6742 -6.6741 -5.7871 -5.7871 -5.5715 -5.5709 -0.7547 -0.7540 1.1362 1.1373 1.2700 1.2738 6.4043 6.4091 7.5598 7.5792 7.6459 7.6467 7.8113 7.8360 8.0835 8.0841 8.8947 8.8952 9.0466 9.0504 9.1550 9.1635 9.3965 9.3966 13.0478 13.0483 14.1227 14.1259 14.2092 14.2155 15.0552 15.0604 k = 0.5005 0.0876 0.0874 ( 2752 PWs) bands (ev): -45.9277 -45.9277 -22.6639 -22.6634 -22.0278 -22.0272 -21.9928 -21.9928 -14.2793 -14.2793 -6.6603 -6.6602 -5.7845 -5.7845 -5.5772 -5.5766 -0.7594 -0.7589 1.1283 1.1294 1.2626 1.2664 6.3999 6.4051 7.5315 7.5522 7.6459 7.6470 7.7658 7.7916 8.0655 8.0659 8.9399 8.9408 9.0776 9.0872 9.1185 9.1328 9.3777 9.3777 13.0833 13.0839 14.1248 14.1282 14.2094 14.2158 15.1097 15.1151 k = 0.5006 0.0965 0.0962 ( 2749 PWs) bands (ev): -45.9277 -45.9277 -22.6643 -22.6638 -22.0280 -22.0274 -21.9936 -21.9936 -14.2771 -14.2770 -6.6450 -6.6449 -5.7817 -5.7817 -5.5833 -5.5827 -0.7648 -0.7646 1.1184 1.1195 1.2554 1.2590 6.3954 6.4009 7.4968 7.5171 7.6448 7.6463 7.7286 7.7537 8.0489 8.0489 8.9849 8.9869 9.0552 9.0554 9.1465 9.1517 9.3591 9.3593 13.1215 13.1221 14.1276 14.1311 14.2102 14.2168 15.1685 15.1739 k = 0.5006 0.1054 0.1051 ( 2746 PWs) bands (ev): -45.9276 -45.9276 -22.6648 -22.6642 -22.0283 -22.0276 -21.9945 -21.9944 -14.2746 -14.2746 -6.6285 -6.6283 -5.7786 -5.7786 -5.5897 -5.5890 -0.7712 -0.7711 1.1064 1.1074 1.2485 1.2516 6.3909 6.3966 7.4563 7.4744 7.6424 7.6443 7.6996 7.7225 8.0334 8.0336 9.0005 9.0025 9.0354 9.0383 9.1889 9.1906 9.3415 9.3422 13.1622 13.1629 14.1311 14.1348 14.2118 14.2184 15.2311 15.2366 k = 0.5007 0.1143 0.1140 ( 2744 PWs) bands (ev): -45.9276 -45.9276 -22.6653 -22.6646 -22.0286 -22.0278 -21.9954 -21.9954 -14.2719 -14.2719 -6.6106 -6.6103 -5.7754 -5.7753 -5.5962 -5.5955 -0.7787 -0.7782 1.0923 1.0931 1.2418 1.2442 6.3863 6.3922 7.4115 7.4268 7.6384 7.6406 7.6770 7.6967 8.0192 8.0197 8.9490 8.9505 9.0809 9.0811 9.2305 9.2305 9.3261 9.3275 13.2051 13.2059 14.1354 14.1393 14.2141 14.2209 15.2973 15.3028 k = 0.5007 0.1232 0.1229 ( 2744 PWs) bands (ev): -45.9276 -45.9276 -22.6658 -22.6651 -22.0289 -22.0281 -21.9964 -21.9963 -14.2691 -14.2691 -6.5914 -6.5912 -5.7718 -5.7718 -5.6030 -5.6022 -0.7872 -0.7862 1.0762 1.0766 1.2351 1.2365 6.3818 6.3878 7.3645 7.3767 7.6322 7.6348 7.6589 7.6753 8.0063 8.0071 8.8924 8.8947 9.1250 9.1255 9.2677 9.2702 9.3150 9.3183 13.2499 13.2508 14.1407 14.1446 14.2174 14.2241 15.3666 15.3721 k = 0.5008 0.1321 0.1318 ( 2748 PWs) bands (ev): -45.9275 -45.9275 -22.6664 -22.6657 -22.0292 -22.0284 -21.9975 -21.9974 -14.2662 -14.2661 -6.5711 -6.5708 -5.7681 -5.7681 -5.6097 -5.6089 -0.7968 -0.7951 1.0580 1.0581 1.2281 1.2284 6.3775 6.3834 7.3170 7.3262 7.6234 7.6263 7.6439 7.6570 7.9947 7.9957 8.8340 8.8367 9.1651 9.1660 9.2940 9.2993 9.3196 9.3255 13.2965 13.2974 14.1468 14.1509 14.2216 14.2283 15.4389 15.4443 k = 0.5008 0.1410 0.1406 ( 2744 PWs) bands (ev): -45.9275 -45.9275 -22.6670 -22.6662 -22.0295 -22.0286 -21.9985 -21.9985 -14.2630 -14.2630 -6.5496 -6.5492 -5.7642 -5.7642 -5.6165 -5.6157 -0.8073 -0.8050 1.0377 1.0382 1.2196 1.2206 6.3733 6.3791 7.2704 7.2770 7.6118 7.6150 7.6309 7.6411 7.9841 7.9853 8.7744 8.7772 9.1959 9.1973 9.3080 9.3103 9.3526 9.3554 13.3446 13.3456 14.1540 14.1581 14.2268 14.2335 15.5136 15.5189 k = 0.5009 0.1499 0.1495 ( 2746 PWs) bands (ev): -45.9274 -45.9274 -22.6676 -22.6668 -22.0299 -22.0290 -21.9997 -21.9997 -14.2598 -14.2598 -6.5270 -6.5266 -5.7601 -5.7601 -5.6232 -5.6223 -0.8190 -0.8160 1.0156 1.0167 1.2098 1.2122 6.3693 6.3749 7.2260 7.2300 7.5975 7.6015 7.6183 7.6262 7.9744 7.9758 8.7140 8.7168 9.2131 9.2146 9.3324 9.3335 9.3889 9.3903 13.3938 13.3949 14.1621 14.1663 14.2331 14.2397 15.5906 15.5958 k = 0.5009 0.1588 0.1584 ( 2746 PWs) bands (ev): -45.9274 -45.9274 -22.6682 -22.6674 -22.0302 -22.0293 -22.0009 -22.0009 -14.2564 -14.2564 -6.5033 -6.5028 -5.7558 -5.7558 -5.6298 -5.6289 -0.8317 -0.8279 0.9922 0.9938 1.1987 1.2027 6.3655 6.3707 7.1844 7.1860 7.5812 7.5868 7.6047 7.6112 7.9654 7.9669 8.6535 8.6561 9.2202 9.2216 9.3685 9.3693 9.4247 9.4253 13.4441 13.4452 14.1712 14.1755 14.2405 14.2469 15.6694 15.6746 k = 0.5010 0.1677 0.1673 ( 2748 PWs) bands (ev): -45.9273 -45.9273 -22.6689 -22.6680 -22.0306 -22.0296 -22.0022 -22.0021 -14.2529 -14.2529 -6.4786 -6.4781 -5.7514 -5.7513 -5.6361 -5.6352 -0.8455 -0.8408 0.9674 0.9695 1.1862 1.1918 6.3620 6.3667 7.1457 7.1464 7.5633 7.5710 7.5893 7.5951 7.9569 7.9586 8.5934 8.5957 9.2242 9.2253 9.4103 9.4111 9.4595 9.4598 13.4952 13.4964 14.1814 14.1857 14.2489 14.2553 15.7499 15.7549 k = 0.5010 0.1766 0.1761 ( 2746 PWs) bands (ev): -45.9273 -45.9273 -22.6696 -22.6687 -22.0309 -22.0299 -22.0034 -22.0034 -14.2493 -14.2493 -6.4530 -6.4524 -5.7468 -5.7467 -5.6422 -5.6413 -0.8603 -0.8548 0.9415 0.9441 1.1719 1.1792 6.3586 6.3628 7.1094 7.1125 7.5440 7.5540 7.5721 7.5773 7.9487 7.9506 8.5342 8.5362 9.2289 9.2298 9.4539 9.4550 9.4938 9.4938 13.5468 13.5480 14.1926 14.1969 14.2585 14.2648 15.8315 15.8365 k = 0.5011 0.1855 0.1850 ( 2746 PWs) bands (ev): -45.9272 -45.9272 -22.6703 -22.6693 -22.0313 -22.0303 -22.0048 -22.0047 -14.2456 -14.2456 -6.4264 -6.4258 -5.7420 -5.7420 -5.6480 -5.6470 -0.8762 -0.8698 0.9147 0.9177 1.1558 1.1648 6.3555 6.3589 7.0775 7.0831 7.5233 7.5357 7.5528 7.5576 7.9408 7.9428 8.4765 8.4782 9.2361 9.2368 9.4972 9.4986 9.5279 9.5280 13.5987 13.6000 14.2049 14.2091 14.2693 14.2754 15.9142 15.9191 k = 0.5011 0.1944 0.1939 ( 2742 PWs) bands (ev): -45.9272 -45.9272 -22.6710 -22.6700 -22.0316 -22.0306 -22.0061 -22.0060 -14.2418 -14.2418 -6.3991 -6.3984 -5.7372 -5.7371 -5.6534 -5.6524 -0.8931 -0.8857 0.8870 0.8905 1.1376 1.1484 6.3524 6.3551 7.0504 7.0586 7.5010 7.5156 7.5317 7.5358 7.9330 7.9351 8.4210 8.4223 9.2465 9.2471 9.5381 9.5399 9.5635 9.5635 13.6508 13.6522 14.2181 14.2223 14.2812 14.2872 15.9974 16.0022 k = 0.5012 0.2034 0.2028 ( 2744 PWs) bands (ev): -45.9271 -45.9271 -22.6717 -22.6707 -22.0320 -22.0310 -22.0075 -22.0074 -14.2380 -14.2380 -6.3710 -6.3702 -5.7322 -5.7321 -5.6583 -5.6573 -0.9110 -0.9027 0.8586 0.8625 1.1173 1.1298 6.3494 6.3513 7.0280 7.0390 7.4770 7.4935 7.5089 7.5117 7.9253 7.9275 8.3683 8.3691 9.2604 9.2609 9.5744 9.5765 9.6022 9.6023 13.7028 13.7043 14.2323 14.2365 14.2943 14.3001 16.0809 16.0856 k = 0.5012 0.2123 0.2117 ( 2744 PWs) bands (ev): -45.9271 -45.9271 -22.6724 -22.6714 -22.0324 -22.0314 -22.0088 -22.0088 -14.2341 -14.2341 -6.3422 -6.3413 -5.7272 -5.7271 -5.6628 -5.6617 -0.9299 -0.9205 0.8296 0.8339 1.0947 1.1090 6.3464 6.3473 7.0106 7.0245 7.4513 7.4689 7.4847 7.4855 7.9175 7.9199 8.3190 8.3195 9.2780 9.2784 9.6068 9.6090 9.6433 9.6435 13.7547 13.7561 14.2475 14.2516 14.3084 14.3141 16.1644 16.1690 k = 0.5013 0.2212 0.2205 ( 2736 PWs) bands (ev): -45.9270 -45.9270 -22.6731 -22.6721 -22.0328 -22.0317 -22.0102 -22.0101 -14.2301 -14.2301 -6.3128 -6.3119 -5.7222 -5.7219 -5.6667 -5.6656 -0.9496 -0.9392 0.8001 0.8048 1.0700 1.0860 6.3432 6.3433 6.9981 7.0152 7.4237 7.4418 7.4571 7.4593 7.9097 7.9122 8.2737 8.2738 9.2992 9.2994 9.6370 9.6392 9.6848 9.6852 13.8061 13.8076 14.2635 14.2676 14.3237 14.3292 16.2475 16.2520 k = 0.5013 0.2301 0.2294 ( 2739 PWs) bands (ev): -45.9270 -45.9270 -22.6739 -22.6729 -22.0332 -22.0321 -22.0116 -22.0115 -14.2262 -14.2262 -6.2829 -6.2819 -5.7171 -5.7168 -5.6700 -5.6689 -0.9701 -0.9587 0.7703 0.7754 1.0430 1.0607 6.3390 6.3397 6.9902 7.0108 7.3944 7.4123 7.4267 7.4327 7.9019 7.9044 8.2327 8.2328 9.3238 9.3239 9.6659 9.6682 9.7259 9.7264 13.8570 13.8585 14.2805 14.2845 14.3400 14.3453 16.3298 16.3342 k = 0.5014 0.2390 0.2383 ( 2739 PWs) bands (ev): -45.9269 -45.9269 -22.6747 -22.6737 -22.0336 -22.0325 -22.0130 -22.0130 -14.2222 -14.2222 -6.2525 -6.2514 -5.7120 -5.7117 -5.6727 -5.6715 -0.9914 -0.9790 0.7403 0.7457 1.0139 1.0332 6.3345 6.3359 6.9865 7.0109 7.3635 7.3808 7.3947 7.4052 7.8940 7.8965 8.1966 8.1968 9.3516 9.3516 9.6939 9.6963 9.7659 9.7666 13.9071 13.9087 14.2983 14.3022 14.3573 14.3624 16.4110 16.4153 k = 0.5014 0.2479 0.2472 ( 2735 PWs) bands (ev): -45.9268 -45.9268 -22.6754 -22.6744 -22.0340 -22.0329 -22.0145 -22.0144 -14.2182 -14.2182 -6.2218 -6.2206 -5.7071 -5.7066 -5.6748 -5.6735 -1.0134 -1.0000 0.7101 0.7158 0.9827 1.0036 6.3296 6.3316 6.9864 7.0151 7.3313 7.3475 7.3615 7.3771 7.8861 7.8885 8.1656 8.1658 9.3824 9.3824 9.7212 9.7237 9.8048 9.8055 13.9565 13.9581 14.3168 14.3206 14.3755 14.3804 16.4907 16.4948 k = 0.5015 0.2568 0.2560 ( 2738 PWs) bands (ev): -45.9268 -45.9268 -22.6762 -22.6752 -22.0344 -22.0333 -22.0159 -22.0158 -14.2142 -14.2142 -6.1907 -6.1895 -5.7023 -5.7016 -5.6760 -5.6747 -1.0360 -1.0216 0.6799 0.6859 0.9495 0.9720 6.3243 6.3268 6.9889 7.0222 7.2982 7.3129 7.3278 7.3493 7.8785 7.8806 8.1396 8.1398 9.4158 9.4159 9.7480 9.7505 9.8422 9.8430 14.0048 14.0064 14.3360 14.3397 14.3945 14.3992 16.5685 16.5724 k = 0.5015 0.2657 0.2649 ( 2738 PWs) bands (ev): -45.9267 -45.9267 -22.6769 -22.6759 -22.0348 -22.0337 -22.0173 -22.0172 -14.2103 -14.2102 -6.1595 -6.1582 -5.6977 -5.6969 -5.6765 -5.6749 -1.0591 -1.0438 0.6499 0.6560 0.9147 0.9385 6.3185 6.3213 6.9925 7.0306 7.2649 7.2773 7.2952 7.3234 7.8713 7.8728 8.1184 8.1185 9.4516 9.4518 9.7743 9.7770 9.8782 9.8791 14.0521 14.0537 14.3559 14.3595 14.4143 14.4187 16.6437 16.6476 k = 0.5016 0.2746 0.2738 ( 2739 PWs) bands (ev): -45.9267 -45.9267 -22.6777 -22.6767 -22.0352 -22.0341 -22.0187 -22.0186 -14.2063 -14.2063 -6.1282 -6.1268 -5.6936 -5.6926 -5.6759 -5.6742 -1.0827 -1.0665 0.6199 0.6263 0.8782 0.9033 6.3121 6.3151 6.9950 7.0374 7.2318 7.2410 7.2663 7.3012 7.8648 7.8655 8.1016 8.1017 9.4895 9.4898 9.8003 9.8030 9.9127 9.9136 14.0981 14.0997 14.3764 14.3799 14.4347 14.4389 16.7161 16.7197 k = 0.5016 0.2835 0.2827 ( 2742 PWs) bands (ev): -45.9266 -45.9266 -22.6785 -22.6775 -22.0356 -22.0345 -22.0201 -22.0200 -14.2025 -14.2024 -6.0969 -6.0954 -5.6900 -5.6889 -5.6741 -5.6724 -1.1066 -1.0896 0.5903 0.5968 0.8405 0.8666 6.3051 6.3082 6.9939 7.0381 7.1984 7.2044 7.2464 7.2855 7.8588 7.8593 8.0886 8.0888 9.5292 9.5296 9.8260 9.8287 9.9456 9.9466 14.1427 14.1443 14.3975 14.4009 14.4556 14.4596 16.7849 16.7883 k = 0.5017 0.2924 0.2916 ( 2744 PWs) bands (ev): -45.9266 -45.9266 -22.6792 -22.6782 -22.0359 -22.0349 -22.0215 -22.0213 -14.1986 -14.1986 -6.0657 -6.0641 -5.6868 -5.6858 -5.6713 -5.6696 -1.1308 -1.1130 0.5611 0.5677 0.8016 0.8287 6.2973 6.3003 6.9868 7.0286 7.1640 7.1677 7.2409 7.2787 7.8531 7.8551 8.0789 8.0792 9.5705 9.5709 9.8515 9.8542 9.9769 9.9780 14.1859 14.1875 14.4191 14.4223 14.4770 14.4808 16.8495 16.8528 k = 0.5017 0.3013 0.3004 ( 2744 PWs) bands (ev): -45.9265 -45.9265 -22.6799 -22.6790 -22.0363 -22.0353 -22.0228 -22.0227 -14.1949 -14.1949 -6.0347 -6.0331 -5.6840 -5.6830 -5.6675 -5.6659 -1.1552 -1.1367 0.5324 0.5391 0.7619 0.7899 6.2885 6.2914 6.9725 7.0082 7.1289 7.1312 7.2503 7.2819 7.8486 7.8524 8.0719 8.0724 9.6129 9.6134 9.8768 9.8795 10.0066 10.0078 14.2275 14.2290 14.4411 14.4441 14.4987 14.5022 16.9092 16.9123 k = 0.5018 0.3102 0.3093 ( 2744 PWs) bands (ev): -45.9265 -45.9265 -22.6806 -22.6797 -22.0367 -22.0357 -22.0242 -22.0240 -14.1912 -14.1912 -6.0040 -6.0023 -5.6813 -5.6803 -5.6632 -5.6618 -1.1796 -1.1605 0.5042 0.5110 0.7217 0.7503 6.2788 6.2815 6.9519 6.9803 7.0935 7.0950 7.2710 7.2945 7.8456 7.8514 8.0674 8.0679 9.6562 9.6568 9.9019 9.9046 10.0347 10.0359 14.2675 14.2689 14.4635 14.4663 14.5205 14.5239 16.9633 16.9662 k = 0.5018 0.3191 0.3182 ( 2744 PWs) bands (ev): -45.9264 -45.9264 -22.6813 -22.6804 -22.0370 -22.0361 -22.0254 -22.0253 -14.1876 -14.1876 -5.9737 -5.9720 -5.6784 -5.6775 -5.6587 -5.6573 -1.2040 -1.1844 0.4767 0.4835 0.6811 0.7102 6.2679 6.2703 6.9267 6.9487 7.0582 7.0593 7.2989 7.3145 7.8442 7.8524 8.0647 8.0652 9.7001 9.7008 9.9269 9.9295 10.0612 10.0625 14.3057 14.3069 14.4862 14.4889 14.5424 14.5455 17.0109 17.0136 k = 0.5019 0.3280 0.3271 ( 2742 PWs) bands (ev): -45.9264 -45.9264 -22.6820 -22.6811 -22.0373 -22.0365 -22.0267 -22.0265 -14.1842 -14.1842 -5.9439 -5.9423 -5.6753 -5.6743 -5.6540 -5.6528 -1.2282 -1.2083 0.4500 0.4567 0.6406 0.6700 6.2558 6.2579 6.8992 6.9160 7.0235 7.0244 7.3311 7.3396 7.8447 7.8554 8.0636 8.0641 9.7443 9.7451 9.9519 9.9544 10.0861 10.0875 14.3419 14.3431 14.5092 14.5117 14.5642 14.5671 17.0514 17.0539 k = 0.5019 0.3369 0.3359 ( 2746 PWs) bands (ev): -45.9263 -45.9263 -22.6827 -22.6818 -22.0377 -22.0369 -22.0279 -22.0277 -14.1808 -14.1808 -5.9148 -5.9131 -5.6719 -5.6709 -5.6493 -5.6482 -1.2522 -1.2320 0.4241 0.4307 0.6004 0.6298 6.2423 6.2441 6.8711 6.8838 6.9896 6.9903 7.3654 7.3678 7.8472 7.8605 8.0637 8.0642 9.7884 9.7894 9.9767 9.9791 10.1094 10.1109 14.3763 14.3773 14.5324 14.5347 14.5858 14.5885 17.0841 17.0863 k = 0.5020 0.3458 0.3448 ( 2744 PWs) bands (ev): -45.9263 -45.9263 -22.6833 -22.6824 -22.0380 -22.0372 -22.0290 -22.0288 -14.1776 -14.1776 -5.8864 -5.8848 -5.6683 -5.6672 -5.6447 -5.6436 -1.2758 -1.2554 0.3991 0.4056 0.5607 0.5901 6.2276 6.2291 6.8434 6.8531 6.9566 6.9572 7.3975 7.4005 7.8520 7.8680 8.0648 8.0654 9.8324 9.8334 10.0014 10.0037 10.1312 10.1328 14.4086 14.4094 14.5557 14.5578 14.6071 14.6096 17.1085 17.1106 k = 0.5020 0.3547 0.3537 ( 2744 PWs) bands (ev): -45.9262 -45.9262 -22.6839 -22.6831 -22.0383 -22.0376 -22.0301 -22.0299 -14.1744 -14.1744 -5.8588 -5.8573 -5.6644 -5.6633 -5.6402 -5.6391 -1.2989 -1.2785 0.3751 0.3815 0.5218 0.5509 6.2116 6.2128 6.8172 6.8244 6.9248 6.9253 7.4275 7.4352 7.8592 7.8779 8.0667 8.0673 9.8757 9.8769 10.0259 10.0281 10.1515 10.1532 14.4388 14.4394 14.5791 14.5809 14.6279 14.6302 17.1247 17.1266 k = 0.5021 0.3636 0.3626 ( 2743 PWs) bands (ev): -45.9262 -45.9262 -22.6845 -22.6837 -22.0386 -22.0379 -22.0312 -22.0309 -14.1715 -14.1715 -5.8322 -5.8308 -5.6603 -5.6591 -5.6358 -5.6347 -1.3213 -1.3011 0.3522 0.3584 0.4840 0.5126 6.1944 6.1953 6.7928 6.7983 6.8942 6.8946 7.4568 7.4684 7.8692 7.8903 8.0692 8.0699 9.9182 9.9196 10.0502 10.0523 10.1704 10.1721 14.4669 14.4674 14.6023 14.6039 14.6481 14.6502 17.1328 17.1347 k = 0.5021 0.3725 0.3715 ( 2743 PWs) bands (ev): -45.9261 -45.9261 -22.6850 -22.6843 -22.0389 -22.0383 -22.0321 -22.0319 -14.1687 -14.1687 -5.8067 -5.8055 -5.6561 -5.6547 -5.6315 -5.6304 -1.3431 -1.3232 0.3305 0.3364 0.4475 0.4755 6.1763 6.1770 6.7707 6.7747 6.8650 6.8654 7.4845 7.4994 7.8820 7.9050 8.0722 8.0729 9.9595 9.9611 10.0742 10.0763 10.1878 10.1896 14.4930 14.4933 14.6253 14.6266 14.6676 14.6695 17.1336 17.1356 k = 0.5022 0.3814 0.3803 ( 2746 PWs) bands (ev): -45.9261 -45.9261 -22.6855 -22.6848 -22.0392 -22.0387 -22.0331 -22.0328 -14.1660 -14.1660 -5.7824 -5.7813 -5.6519 -5.6502 -5.6274 -5.6263 -1.3639 -1.3445 0.3099 0.3156 0.4126 0.4397 6.1575 6.1579 6.7508 6.7538 6.8374 6.8377 7.5101 7.5274 7.8976 7.9219 8.0755 8.0763 9.9995 10.0012 10.0979 10.0998 10.2038 10.2057 14.5170 14.5171 14.6477 14.6488 14.6863 14.6880 17.1281 17.1302 k = 0.5022 0.3903 0.3892 ( 2744 PWs) bands (ev): -45.9261 -45.9261 -22.6860 -22.6853 -22.0394 -22.0390 -22.0339 -22.0336 -14.1635 -14.1635 -5.7593 -5.7586 -5.6475 -5.6456 -5.6235 -5.6224 -1.3838 -1.3650 0.2907 0.2960 0.3795 0.4055 6.1382 6.1385 6.7334 6.7355 6.8113 6.8117 7.5331 7.5520 7.9158 7.9407 8.0790 8.0799 10.0378 10.0397 10.1211 10.1228 10.2184 10.2205 14.5390 14.5391 14.6695 14.6704 14.7041 14.7057 17.1174 17.1198 k = 0.5023 0.3992 0.3981 ( 2746 PWs) bands (ev): -45.9260 -45.9260 -22.6865 -22.6859 -22.0397 -22.0394 -22.0347 -22.0344 -14.1612 -14.1612 -5.7377 -5.7373 -5.6432 -5.6410 -5.6198 -5.6187 -1.4026 -1.3845 0.2727 0.2778 0.3484 0.3731 6.1189 6.1191 6.7181 6.7197 6.7871 6.7873 7.5536 7.5731 7.9362 7.9608 8.0826 8.0838 10.0741 10.0763 10.1436 10.1452 10.2318 10.2340 14.5590 14.5592 14.6903 14.6911 14.7209 14.7222 17.1028 17.1057 k = 0.5023 0.4081 0.4070 ( 2744 PWs) bands (ev): -45.9260 -45.9260 -22.6869 -22.6863 -22.0400 -22.0397 -22.0354 -22.0350 -14.1590 -14.1590 -5.7176 -5.7176 -5.6390 -5.6364 -5.6163 -5.6151 -1.4201 -1.4030 0.2562 0.2608 0.3194 0.3426 6.0999 6.1000 6.7049 6.7060 6.7646 6.7648 7.5714 7.5909 7.9581 7.9818 8.0863 8.0877 10.1082 10.1106 10.1652 10.1668 10.2438 10.2463 14.5772 14.5775 14.7101 14.7107 14.7365 14.7377 17.0854 17.0889 k = 0.5024 0.4170 0.4158 ( 2744 PWs) bands (ev): -45.9260 -45.9260 -22.6872 -22.6867 -22.0402 -22.0400 -22.0360 -22.0356 -14.1571 -14.1571 -5.6996 -5.6992 -5.6348 -5.6319 -5.6129 -5.6118 -1.4363 -1.4203 0.2410 0.2453 0.2928 0.3144 6.0815 6.0815 6.6936 6.6944 6.7440 6.7442 7.5868 7.6055 7.9809 8.0028 8.0900 8.0918 10.1398 10.1426 10.1859 10.1874 10.2547 10.2573 14.5936 14.5940 14.7286 14.7290 14.7510 14.7521 17.0663 17.0705 k = 0.5024 0.4259 0.4247 ( 2746 PWs) bands (ev): -45.9259 -45.9259 -22.6876 -22.6871 -22.0405 -22.0403 -22.0366 -22.0362 -14.1553 -14.1553 -5.6836 -5.6827 -5.6307 -5.6274 -5.6098 -5.6088 -1.4511 -1.4363 0.2274 0.2312 0.2687 0.2884 6.0641 6.0641 6.6841 6.6846 6.7253 6.7255 7.5999 7.6173 8.0036 8.0231 8.0936 8.0959 10.1686 10.1718 10.2053 10.2068 10.2644 10.2672 14.6083 14.6087 14.7455 14.7458 14.7643 14.7651 17.0466 17.0513 k = 0.5025 0.4348 0.4336 ( 2752 PWs) bands (ev): -45.9259 -45.9259 -22.6879 -22.6875 -22.0408 -22.0407 -22.0371 -22.0367 -14.1537 -14.1537 -5.6696 -5.6681 -5.6268 -5.6230 -5.6070 -5.6060 -1.4643 -1.4509 0.2152 0.2186 0.2472 0.2650 6.0480 6.0480 6.6761 6.6764 6.7087 6.7089 7.6110 7.6268 8.0254 8.0420 8.0971 8.1001 10.1944 10.1981 10.2234 10.2249 10.2729 10.2760 14.6213 14.6217 14.7609 14.7611 14.7762 14.7769 17.0270 17.0319 k = 0.5025 0.4437 0.4425 ( 2754 PWs) bands (ev): -45.9259 -45.9259 -22.6882 -22.6878 -22.0410 -22.0410 -22.0374 -22.0371 -14.1523 -14.1523 -5.6577 -5.6557 -5.6227 -5.6186 -5.6044 -5.6034 -1.4758 -1.4640 0.2046 0.2075 0.2285 0.2441 6.0334 6.0334 6.6695 6.6697 6.6942 6.6943 7.6204 7.6343 8.0455 8.0587 8.1007 8.1047 10.2169 10.2211 10.2399 10.2415 10.2804 10.2837 14.6326 14.6330 14.7744 14.7745 14.7868 14.7873 17.0084 17.0127 k = 0.5026 0.4526 0.4514 ( 2758 PWs) bands (ev): -45.9259 -45.9259 -22.6884 -22.6881 -22.0412 -22.0412 -22.0378 -22.0375 -14.1511 -14.1511 -5.6481 -5.6457 -5.6186 -5.6143 -5.6020 -5.6012 -1.4856 -1.4754 0.1956 0.1980 0.2127 0.2260 6.0206 6.0206 6.6641 6.6642 6.6817 6.6818 7.6282 7.6401 8.0631 8.0725 8.1044 8.1097 10.2359 10.2405 10.2547 10.2564 10.2869 10.2904 14.6422 14.6425 14.7860 14.7860 14.7961 14.7964 16.9913 16.9942 k = 0.5026 0.4615 0.4602 ( 2776 PWs) bands (ev): -45.9259 -45.9259 -22.6887 -22.6884 -22.0415 -22.0415 -22.0381 -22.0378 -14.1502 -14.1502 -5.6408 -5.6383 -5.6143 -5.6103 -5.5999 -5.5992 -1.4937 -1.4851 0.1882 0.1900 0.1998 0.2106 6.0098 6.0099 6.6598 6.6599 6.6714 6.6715 7.6345 7.6444 8.0773 8.0827 8.1087 8.1153 10.2513 10.2558 10.2678 10.2692 10.2925 10.2961 14.6501 14.6504 14.7955 14.7956 14.8039 14.8040 16.9764 16.9777 k = 0.5027 0.4704 0.4691 ( 2790 PWs) bands (ev): -45.9259 -45.9259 -22.6888 -22.6887 -22.0417 -22.0417 -22.0383 -22.0381 -14.1494 -14.1494 -5.6354 -5.6333 -5.6101 -5.6069 -5.5980 -5.5976 -1.4998 -1.4931 0.1824 0.1836 0.1899 0.1982 6.0012 6.0012 6.6565 6.6566 6.6633 6.6634 7.6397 7.6473 8.0874 8.0897 8.1138 8.1209 10.2630 10.2671 10.2788 10.2797 10.2973 10.3008 14.6563 14.6566 14.8028 14.8030 14.8103 14.8103 16.9641 16.9644 k = 0.5027 0.4794 0.4780 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6888 -22.0419 -22.0419 -22.0384 -22.0383 -14.1488 -14.1488 -5.6318 -5.6302 -5.6066 -5.6043 -5.5964 -5.5962 -1.5040 -1.4992 0.1783 0.1788 0.1831 0.1888 5.9949 5.9949 6.6542 6.6542 6.6574 6.6575 7.6436 7.6491 8.0935 8.0941 8.1194 8.1255 10.2714 10.2746 10.2872 10.2875 10.3014 10.3044 14.6609 14.6611 14.8080 14.8082 14.8150 14.8151 16.9543 16.9549 k = 0.5028 0.4883 0.4869 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6889 -22.0420 -22.0420 -22.0385 -22.0384 -14.1485 -14.1485 -5.6296 -5.6286 -5.6042 -5.6029 -5.5953 -5.5952 -1.5063 -1.5034 0.1757 0.1758 0.1793 0.1825 5.9909 5.9909 6.6526 6.6526 6.6539 6.6539 7.6465 7.6497 8.0966 8.0967 8.1241 8.1281 10.2768 10.2787 10.2923 10.2924 10.3046 10.3066 14.6637 14.6639 14.8113 14.8114 14.8181 14.8181 16.9485 16.9492 k = 0.5028 0.4972 0.4957 ( 2800 PWs) bands (ev): -45.9259 -45.9259 -22.6890 -22.6890 -22.0420 -22.0420 -22.0385 -22.0385 -14.1484 -14.1484 -5.6286 -5.6282 -5.6030 -5.6026 -5.5947 -5.5947 -1.5066 -1.5057 0.1747 0.1747 0.1783 0.1793 5.9893 5.9893 6.6517 6.6517 6.6527 6.6527 7.6483 7.6493 8.0978 8.0978 8.1269 8.1282 10.2792 10.2799 10.2943 10.2943 10.3065 10.3072 14.6649 14.6650 14.8126 14.8126 14.8193 14.8193 16.9466 16.9467 Writing output data file BaTiO3.save init_run : 3.67s CPU 12.58s WALL ( 1 calls) electrons : 652.64s CPU 659.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.36s CPU 2.00s WALL ( 1 calls) Called by electrons: c_bands : 652.63s CPU 659.55s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.64s WALL ( 1 calls) newd : 0.35s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 328 calls) cegterg : 632.63s CPU 637.02s WALL ( 1162 calls) Called by sum_band: Called by *egterg: h_psi : 212.89s CPU 224.45s WALL ( 21687 calls) s_psi : 25.25s CPU 25.76s WALL ( 21687 calls) g_psi : 0.52s CPU 0.60s WALL ( 20197 calls) cdiaghg : 300.18s CPU 294.55s WALL ( 20525 calls) cegterg:over : 48.79s CPU 46.06s WALL ( 20197 calls) cegterg:upda : 6.50s CPU 10.69s WALL ( 20197 calls) cegterg:last : 6.36s CPU 7.31s WALL ( 2519 calls) Called by h_psi: h_psi:vloc : 163.18s CPU 173.16s WALL ( 21687 calls) h_psi:vnl : 49.45s CPU 50.49s WALL ( 21687 calls) add_vuspsi : 15.41s CPU 18.89s WALL ( 21687 calls) General routines calbec : 33.96s CPU 31.44s WALL ( 21687 calls) fft : 0.19s CPU 1.30s WALL ( 19 calls) ffts : 0.03s CPU 0.59s WALL ( 4 calls) fftw : 151.81s CPU 157.89s WALL ( 1404884 calls) interpolate : 0.04s CPU 0.62s WALL ( 4 calls) davcio : 0.03s CPU 0.62s WALL ( 656 calls) Parallel routines fft_scatter : 108.66s CPU 112.94s WALL ( 1404907 calls) PWSCF : 11m38.32s CPU 12m52.98s WALL This run was terminated on: 15: 2:13 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=