Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:27:42 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./InAgS2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 35 10 799 621 102 Max 43 36 11 801 634 104 Sum 1525 1291 389 28791 22547 3707 bravais-lattice index = 14 lattice parameter (alat) = 12.8690 a.u. unit-cell volume = 533.2830 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.869034 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.847585 celldm(5)= 0.847585 celldm(6)= 0.847585 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.847585 0.530659 0.000000 ) a(3) = ( 0.847585 0.243441 0.471525 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.597231 -0.972914 ) b(2) = ( 0.000000 1.884449 -0.972914 ) b(3) = ( 0.000000 0.000000 2.120781 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) In 13.00 114.81800 In( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0102041 -0.0162983 -0.0099277), wk = 0.0030769 k( 3) = ( 0.0204082 -0.0325966 -0.0198554), wk = 0.0030769 k( 4) = ( 0.0306122 -0.0488948 -0.0297831), wk = 0.0030769 k( 5) = ( 0.0408163 -0.0651931 -0.0397108), wk = 0.0030769 k( 6) = ( 0.0510204 -0.0814914 -0.0496385), wk = 0.0030769 k( 7) = ( 0.0612245 -0.0977897 -0.0595662), wk = 0.0030769 k( 8) = ( 0.0714286 -0.1140879 -0.0694939), wk = 0.0030769 k( 9) = ( 0.0816327 -0.1303862 -0.0794216), wk = 0.0030769 k( 10) = ( 0.0918367 -0.1466845 -0.0893493), wk = 0.0030769 k( 11) = ( 0.1020408 -0.1629828 -0.0992770), wk = 0.0030769 k( 12) = ( 0.1122449 -0.1792811 -0.1092047), wk = 0.0030769 k( 13) = ( 0.1224490 -0.1955793 -0.1191324), wk = 0.0030769 k( 14) = ( 0.1326531 -0.2118776 -0.1290601), wk = 0.0030769 k( 15) = ( 0.1428571 -0.2281759 -0.1389878), wk = 0.0030769 k( 16) = ( 0.1530612 -0.2444742 -0.1489155), wk = 0.0030769 k( 17) = ( 0.1632653 -0.2607725 -0.1588432), wk = 0.0030769 k( 18) = ( 0.1734694 -0.2770707 -0.1687709), wk = 0.0030769 k( 19) = ( 0.1836735 -0.2933690 -0.1786986), wk = 0.0030769 k( 20) = ( 0.1938776 -0.3096673 -0.1886263), wk = 0.0030769 k( 21) = ( 0.2040816 -0.3259656 -0.1985540), wk = 0.0030769 k( 22) = ( 0.2142857 -0.3422638 -0.2084817), wk = 0.0030769 k( 23) = ( 0.2244898 -0.3585621 -0.2184094), wk = 0.0030769 k( 24) = ( 0.2346939 -0.3748604 -0.2283371), wk = 0.0030769 k( 25) = ( 0.2448980 -0.3911587 -0.2382648), wk = 0.0030769 k( 26) = ( 0.2551020 -0.4074569 -0.2481925), wk = 0.0030769 k( 27) = ( 0.2653061 -0.4237552 -0.2581202), wk = 0.0030769 k( 28) = ( 0.2755102 -0.4400535 -0.2680479), wk = 0.0030769 k( 29) = ( 0.2857143 -0.4563518 -0.2779756), wk = 0.0030769 k( 30) = ( 0.2959184 -0.4726501 -0.2879033), wk = 0.0030769 k( 31) = ( 0.3061224 -0.4889483 -0.2978310), wk = 0.0030769 k( 32) = ( 0.3163265 -0.5052466 -0.3077587), wk = 0.0030769 k( 33) = ( 0.3265306 -0.5215449 -0.3176864), wk = 0.0030769 k( 34) = ( 0.3367347 -0.5378432 -0.3276141), wk = 0.0030769 k( 35) = ( 0.3469388 -0.5541415 -0.3375418), wk = 0.0030769 k( 36) = ( 0.3571429 -0.5704397 -0.3474695), wk = 0.0030769 k( 37) = ( 0.3673469 -0.5867380 -0.3573972), wk = 0.0030769 k( 38) = ( 0.3775510 -0.6030363 -0.3673248), wk = 0.0030769 k( 39) = ( 0.3877551 -0.6193346 -0.3772525), wk = 0.0030769 k( 40) = ( 0.3979592 -0.6356328 -0.3871802), wk = 0.0030769 k( 41) = ( 0.4081633 -0.6519311 -0.3971080), wk = 0.0030769 k( 42) = ( 0.4183674 -0.6682294 -0.4070356), wk = 0.0030769 k( 43) = ( 0.4285714 -0.6845277 -0.4169633), wk = 0.0030769 k( 44) = ( 0.4387755 -0.7008260 -0.4268910), wk = 0.0030769 k( 45) = ( 0.4489796 -0.7171242 -0.4368187), wk = 0.0030769 k( 46) = ( 0.4591837 -0.7334225 -0.4467464), wk = 0.0030769 k( 47) = ( 0.4693878 -0.7497208 -0.4566741), wk = 0.0030769 k( 48) = ( 0.4795918 -0.7660191 -0.4666018), wk = 0.0030769 k( 49) = ( 0.4897959 -0.7823173 -0.4765295), wk = 0.0030769 k( 50) = ( 0.5000000 -0.7986156 -0.4864572), wk = 0.0030769 k( 51) = ( 0.5000000 -0.7986156 -0.4864572), wk = 0.0030769 k( 52) = ( 0.5000000 -0.7876907 -0.5043927), wk = 0.0030769 k( 53) = ( 0.5000000 -0.7767658 -0.5223280), wk = 0.0030769 k( 54) = ( 0.5000000 -0.7658409 -0.5402635), wk = 0.0030769 k( 55) = ( 0.5000000 -0.7549159 -0.5581989), wk = 0.0030769 k( 56) = ( 0.5000000 -0.7439910 -0.5761343), wk = 0.0030769 k( 57) = ( 0.5000000 -0.7330661 -0.5940697), wk = 0.0030769 k( 58) = ( 0.5000000 -0.7221412 -0.6120051), wk = 0.0030769 k( 59) = ( 0.5000000 -0.7112163 -0.6299405), wk = 0.0030769 k( 60) = ( 0.5000000 -0.7002914 -0.6478759), wk = 0.0030769 k( 61) = ( 0.5000000 -0.6893664 -0.6658113), wk = 0.0030769 k( 62) = ( 0.5000000 -0.6784415 -0.6837467), wk = 0.0030769 k( 63) = ( 0.5000000 -0.6675166 -0.7016821), wk = 0.0030769 k( 64) = ( 0.5000000 -0.6565917 -0.7196175), wk = 0.0030769 k( 65) = ( 0.5000000 -0.6456668 -0.7375529), wk = 0.0030769 k( 66) = ( 0.5000000 -0.6347419 -0.7554884), wk = 0.0030769 k( 67) = ( 0.5000000 -0.6238170 -0.7734237), wk = 0.0030769 k( 68) = ( 0.5000000 -0.6128920 -0.7913592), wk = 0.0030769 k( 69) = ( 0.5000000 -0.6019671 -0.8092946), wk = 0.0030769 k( 70) = ( 0.5000000 -0.5910422 -0.8272300), wk = 0.0030769 k( 71) = ( 0.5000000 -0.5801173 -0.8451654), wk = 0.0030769 k( 72) = ( 0.5000000 -0.5691924 -0.8631008), wk = 0.0030769 k( 73) = ( 0.5000000 -0.5582675 -0.8810362), wk = 0.0030769 k( 74) = ( 0.5000000 -0.5473425 -0.8989716), wk = 0.0030769 k( 75) = ( 0.5000000 -0.5364176 -0.9169070), wk = 0.0030769 k( 76) = ( 0.5000000 -0.5254927 -0.9348424), wk = 0.0030769 k( 77) = ( 0.5000000 -0.5145678 -0.9527778), wk = 0.0030769 k( 78) = ( 0.5000000 -0.5036429 -0.9707133), wk = 0.0030769 k( 79) = ( 0.5000000 -0.4927180 -0.9886486), wk = 0.0030769 k( 80) = ( 0.5000000 -0.4817930 -1.0065841), wk = 0.0030769 k( 81) = ( 0.5000000 -0.4708681 -1.0245195), wk = 0.0030769 k( 82) = ( 0.5000000 -0.4599432 -1.0424549), wk = 0.0030769 k( 83) = ( 0.5000000 -0.4490183 -1.0603903), wk = 0.0030769 k( 84) = ( 0.8144830 -0.3586932 -0.8854386), wk = 0.0030769 k( 85) = ( 0.8085493 -0.3492158 -0.8670818), wk = 0.0030769 k( 86) = ( 0.8026157 -0.3397384 -0.8487249), wk = 0.0030769 k( 87) = ( 0.7966821 -0.3302610 -0.8303680), wk = 0.0030769 k( 88) = ( 0.7907484 -0.3207836 -0.8120112), wk = 0.0030769 k( 89) = ( 0.7848148 -0.3113062 -0.7936543), wk = 0.0030769 k( 90) = ( 0.7788811 -0.3018288 -0.7752974), wk = 0.0030769 k( 91) = ( 0.7729475 -0.2923514 -0.7569405), wk = 0.0030769 k( 92) = ( 0.7670139 -0.2828741 -0.7385836), wk = 0.0030769 k( 93) = ( 0.7610802 -0.2733967 -0.7202268), wk = 0.0030769 k( 94) = ( 0.7551466 -0.2639193 -0.7018699), wk = 0.0030769 k( 95) = ( 0.7492129 -0.2544419 -0.6835130), wk = 0.0030769 k( 96) = ( 0.7432793 -0.2449645 -0.6651561), wk = 0.0030769 k( 97) = ( 0.7373456 -0.2354871 -0.6467992), wk = 0.0030769 k( 98) = ( 0.7314120 -0.2260097 -0.6284424), wk = 0.0030769 k( 99) = ( 0.7254784 -0.2165323 -0.6100855), wk = 0.0030769 k( 100) = ( 0.7195447 -0.2070549 -0.5917286), wk = 0.0030769 k( 101) = ( 0.7136111 -0.1975775 -0.5733718), wk = 0.0030769 k( 102) = ( 0.7076775 -0.1881001 -0.5550149), wk = 0.0030769 k( 103) = ( 0.7017438 -0.1786227 -0.5366580), wk = 0.0030769 k( 104) = ( 0.6958102 -0.1691453 -0.5183011), wk = 0.0030769 k( 105) = ( 0.6898765 -0.1596679 -0.4999442), wk = 0.0030769 k( 106) = ( 0.6839429 -0.1501905 -0.4815874), wk = 0.0030769 k( 107) = ( 0.6780092 -0.1407131 -0.4632305), wk = 0.0030769 k( 108) = ( 0.6720756 -0.1312357 -0.4448736), wk = 0.0030769 k( 109) = ( 0.6661420 -0.1217583 -0.4265167), wk = 0.0030769 k( 110) = ( 0.6602083 -0.1122809 -0.4081599), wk = 0.0030769 k( 111) = ( 0.6542747 -0.1028035 -0.3898030), wk = 0.0030769 k( 112) = ( 0.6483410 -0.0933261 -0.3714461), wk = 0.0030769 k( 113) = ( 0.6424074 -0.0838487 -0.3530892), wk = 0.0030769 k( 114) = ( 0.6364737 -0.0743713 -0.3347323), wk = 0.0030769 k( 115) = ( 0.6305401 -0.0648939 -0.3163755), wk = 0.0030769 k( 116) = ( 0.6246065 -0.0554165 -0.2980186), wk = 0.0030769 k( 117) = ( 0.6186728 -0.0459391 -0.2796617), wk = 0.0030769 k( 118) = ( 0.6127392 -0.0364617 -0.2613049), wk = 0.0030769 k( 119) = ( 0.6068055 -0.0269843 -0.2429480), wk = 0.0030769 k( 120) = ( 0.6008719 -0.0175069 -0.2245911), wk = 0.0030769 k( 121) = ( 0.5949383 -0.0080295 -0.2062342), wk = 0.0030769 k( 122) = ( 0.5890046 0.0014479 -0.1878773), wk = 0.0030769 k( 123) = ( 0.5830710 0.0109253 -0.1695205), wk = 0.0030769 k( 124) = ( 0.5771373 0.0204027 -0.1511636), wk = 0.0030769 k( 125) = ( 0.5712037 0.0298801 -0.1328067), wk = 0.0030769 k( 126) = ( 0.5652700 0.0393575 -0.1144498), wk = 0.0030769 k( 127) = ( 0.5593364 0.0488349 -0.0960929), wk = 0.0030769 k( 128) = ( 0.5534028 0.0583123 -0.0777361), wk = 0.0030769 k( 129) = ( 0.5474691 0.0677896 -0.0593792), wk = 0.0030769 k( 130) = ( 0.5415355 0.0772670 -0.0410223), wk = 0.0030769 k( 131) = ( 0.5356019 0.0867444 -0.0226655), wk = 0.0030769 k( 132) = ( 0.5296682 0.0962218 -0.0043086), wk = 0.0030769 k( 133) = ( 0.5237346 0.1056992 0.0140483), wk = 0.0030769 k( 134) = ( 0.5178009 0.1151766 0.0324052), wk = 0.0030769 k( 135) = ( 0.5118673 0.1246540 0.0507621), wk = 0.0030769 k( 136) = ( 0.5059336 0.1341314 0.0691189), wk = 0.0030769 k( 137) = ( 0.5000000 0.1436088 0.0874758), wk = 0.0030769 k( 138) = ( 0.5000000 0.1436088 0.0874758), wk = 0.0030769 k( 139) = ( 0.4800000 0.1378645 0.0839768), wk = 0.0030769 k( 140) = ( 0.4600000 0.1321201 0.0804778), wk = 0.0030769 k( 141) = ( 0.4400000 0.1263758 0.0769787), wk = 0.0030769 k( 142) = ( 0.4200000 0.1206314 0.0734797), wk = 0.0030769 k( 143) = ( 0.4000000 0.1148871 0.0699807), wk = 0.0030769 k( 144) = ( 0.3800000 0.1091427 0.0664816), wk = 0.0030769 k( 145) = ( 0.3600000 0.1033984 0.0629826), wk = 0.0030769 k( 146) = ( 0.3400000 0.0976540 0.0594836), wk = 0.0030769 k( 147) = ( 0.3200000 0.0919096 0.0559845), wk = 0.0030769 k( 148) = ( 0.3000000 0.0861653 0.0524855), wk = 0.0030769 k( 149) = ( 0.2800000 0.0804209 0.0489865), wk = 0.0030769 k( 150) = ( 0.2600000 0.0746766 0.0454874), wk = 0.0030769 k( 151) = ( 0.2400000 0.0689322 0.0419884), wk = 0.0030769 k( 152) = ( 0.2200000 0.0631879 0.0384894), wk = 0.0030769 k( 153) = ( 0.2000000 0.0574435 0.0349903), wk = 0.0030769 k( 154) = ( 0.1800000 0.0516992 0.0314913), wk = 0.0030769 k( 155) = ( 0.1600000 0.0459548 0.0279923), wk = 0.0030769 k( 156) = ( 0.1400000 0.0402105 0.0244932), wk = 0.0030769 k( 157) = ( 0.1200000 0.0344661 0.0209942), wk = 0.0030769 k( 158) = ( 0.1000000 0.0287218 0.0174952), wk = 0.0030769 k( 159) = ( 0.0800000 0.0229774 0.0139961), wk = 0.0030769 k( 160) = ( 0.0600000 0.0172331 0.0104971), wk = 0.0030769 k( 161) = ( 0.0400000 0.0114887 0.0069981), wk = 0.0030769 k( 162) = ( 0.0200000 0.0057444 0.0034990), wk = 0.0030769 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 165) = ( 0.0059096 -0.0094390 -0.0182826), wk = 0.0030769 k( 166) = ( 0.0118193 -0.0188781 -0.0365652), wk = 0.0030769 k( 167) = ( 0.0177289 -0.0283171 -0.0548478), wk = 0.0030769 k( 168) = ( 0.0236385 -0.0377562 -0.0731304), wk = 0.0030769 k( 169) = ( 0.0295481 -0.0471952 -0.0914130), wk = 0.0030769 k( 170) = ( 0.0354578 -0.0566343 -0.1096956), wk = 0.0030769 k( 171) = ( 0.0413674 -0.0660733 -0.1279782), wk = 0.0030769 k( 172) = ( 0.0472770 -0.0755124 -0.1462607), wk = 0.0030769 k( 173) = ( 0.0531867 -0.0849514 -0.1645433), wk = 0.0030769 k( 174) = ( 0.0590963 -0.0943904 -0.1828259), wk = 0.0030769 k( 175) = ( 0.0650059 -0.1038295 -0.2011085), wk = 0.0030769 k( 176) = ( 0.0709155 -0.1132685 -0.2193911), wk = 0.0030769 k( 177) = ( 0.0768252 -0.1227076 -0.2376737), wk = 0.0030769 k( 178) = ( 0.0827348 -0.1321466 -0.2559563), wk = 0.0030769 k( 179) = ( 0.0886444 -0.1415857 -0.2742389), wk = 0.0030769 k( 180) = ( 0.0945541 -0.1510247 -0.2925215), wk = 0.0030769 k( 181) = ( 0.1004637 -0.1604638 -0.3108040), wk = 0.0030769 k( 182) = ( 0.1063733 -0.1699028 -0.3290866), wk = 0.0030769 k( 183) = ( 0.1122830 -0.1793419 -0.3473692), wk = 0.0030769 k( 184) = ( 0.1181926 -0.1887809 -0.3656518), wk = 0.0030769 k( 185) = ( 0.1241022 -0.1982199 -0.3839344), wk = 0.0030769 k( 186) = ( 0.1300119 -0.2076590 -0.4022170), wk = 0.0030769 k( 187) = ( 0.1359215 -0.2170980 -0.4204996), wk = 0.0030769 k( 188) = ( 0.1418311 -0.2265371 -0.4387822), wk = 0.0030769 k( 189) = ( 0.1477407 -0.2359761 -0.4570648), wk = 0.0030769 k( 190) = ( 0.1536504 -0.2454152 -0.4753474), wk = 0.0030769 k( 191) = ( 0.1595600 -0.2548542 -0.4936299), wk = 0.0030769 k( 192) = ( 0.1654696 -0.2642932 -0.5119125), wk = 0.0030769 k( 193) = ( 0.1713793 -0.2737323 -0.5301951), wk = 0.0030769 k( 194) = ( 0.1772889 -0.2831713 -0.5484777), wk = 0.0030769 k( 195) = ( 0.1831985 -0.2926104 -0.5667603), wk = 0.0030769 k( 196) = ( 0.1891081 -0.3020494 -0.5850429), wk = 0.0030769 k( 197) = ( 0.1950178 -0.3114885 -0.6033255), wk = 0.0030769 k( 198) = ( 0.2009274 -0.3209275 -0.6216081), wk = 0.0030769 k( 199) = ( 0.2068370 -0.3303666 -0.6398907), wk = 0.0030769 k( 200) = ( 0.2127467 -0.3398056 -0.6581733), wk = 0.0030769 k( 201) = ( 0.2186563 -0.3492447 -0.6764559), wk = 0.0030769 k( 202) = ( 0.2245659 -0.3586837 -0.6947385), wk = 0.0030769 k( 203) = ( 0.2304756 -0.3681227 -0.7130211), wk = 0.0030769 k( 204) = ( 0.2363852 -0.3775618 -0.7313037), wk = 0.0030769 k( 205) = ( 0.2422948 -0.3870008 -0.7495862), wk = 0.0030769 k( 206) = ( 0.2482044 -0.3964399 -0.7678688), wk = 0.0030769 k( 207) = ( 0.2541141 -0.4058789 -0.7861514), wk = 0.0030769 k( 208) = ( 0.2600237 -0.4153180 -0.8044340), wk = 0.0030769 k( 209) = ( 0.2659333 -0.4247570 -0.8227166), wk = 0.0030769 k( 210) = ( 0.2718430 -0.4341961 -0.8409992), wk = 0.0030769 k( 211) = ( 0.2777526 -0.4436351 -0.8592818), wk = 0.0030769 k( 212) = ( 0.2836622 -0.4530741 -0.8775644), wk = 0.0030769 k( 213) = ( 0.2895718 -0.4625132 -0.8958470), wk = 0.0030769 k( 214) = ( 0.2954815 -0.4719522 -0.9141296), wk = 0.0030769 k( 215) = ( 0.3013911 -0.4813913 -0.9324121), wk = 0.0030769 k( 216) = ( 0.3073007 -0.4908303 -0.9506947), wk = 0.0030769 k( 217) = ( 0.3132104 -0.5002694 -0.9689773), wk = 0.0030769 k( 218) = ( 0.3191200 -0.5097084 -0.9872599), wk = 0.0030769 k( 219) = ( 0.3250296 -0.5191475 -1.0055425), wk = 0.0030769 k( 220) = ( 0.3309393 -0.5285865 -1.0238251), wk = 0.0030769 k( 221) = ( 0.3368489 -0.5380256 -1.0421077), wk = 0.0030769 k( 222) = ( 0.3427585 -0.5474646 -1.0603903), wk = 0.0030769 k( 223) = ( 0.6572415 -0.4038558 -0.9729145), wk = 0.0030769 k( 224) = ( 0.6514177 -0.3835793 -0.9729145), wk = 0.0030769 k( 225) = ( 0.6455940 -0.3633028 -0.9729145), wk = 0.0030769 k( 226) = ( 0.6397702 -0.3430264 -0.9729145), wk = 0.0030769 k( 227) = ( 0.6339465 -0.3227499 -0.9729145), wk = 0.0030769 k( 228) = ( 0.6281227 -0.3024734 -0.9729145), wk = 0.0030769 k( 229) = ( 0.6222989 -0.2821970 -0.9729145), wk = 0.0030769 k( 230) = ( 0.6164752 -0.2619205 -0.9729145), wk = 0.0030769 k( 231) = ( 0.6106514 -0.2416440 -0.9729145), wk = 0.0030769 k( 232) = ( 0.6048277 -0.2213676 -0.9729145), wk = 0.0030769 k( 233) = ( 0.5990039 -0.2010911 -0.9729145), wk = 0.0030769 k( 234) = ( 0.5931802 -0.1808147 -0.9729145), wk = 0.0030769 k( 235) = ( 0.5873564 -0.1605382 -0.9729145), wk = 0.0030769 k( 236) = ( 0.5815326 -0.1402617 -0.9729145), wk = 0.0030769 k( 237) = ( 0.5757089 -0.1199852 -0.9729145), wk = 0.0030769 k( 238) = ( 0.5698851 -0.0997088 -0.9729145), wk = 0.0030769 k( 239) = ( 0.5640614 -0.0794323 -0.9729145), wk = 0.0030769 k( 240) = ( 0.5582376 -0.0591558 -0.9729145), wk = 0.0030769 k( 241) = ( 0.5524138 -0.0388794 -0.9729145), wk = 0.0030769 k( 242) = ( 0.5465901 -0.0186029 -0.9729145), wk = 0.0030769 k( 243) = ( 0.5407663 0.0016736 -0.9729145), wk = 0.0030769 k( 244) = ( 0.5349426 0.0219500 -0.9729145), wk = 0.0030769 k( 245) = ( 0.5291188 0.0422265 -0.9729145), wk = 0.0030769 k( 246) = ( 0.5232950 0.0625029 -0.9729145), wk = 0.0030769 k( 247) = ( 0.5174713 0.0827794 -0.9729145), wk = 0.0030769 k( 248) = ( 0.5116475 0.1030559 -0.9729145), wk = 0.0030769 k( 249) = ( 0.5058238 0.1233324 -0.9729145), wk = 0.0030769 k( 250) = ( 0.5000000 0.1436088 -0.9729145), wk = 0.0030769 k( 251) = ( 0.5000000 0.1436088 -0.9729145), wk = 0.0030769 k( 252) = ( 0.5174713 0.1486269 -0.9631949), wk = 0.0030769 k( 253) = ( 0.5349426 0.1536449 -0.9534754), wk = 0.0030769 k( 254) = ( 0.5524138 0.1586630 -0.9437559), wk = 0.0030769 k( 255) = ( 0.5698851 0.1636811 -0.9340363), wk = 0.0030769 k( 256) = ( 0.5873564 0.1686991 -0.9243168), wk = 0.0030769 k( 257) = ( 0.6048277 0.1737172 -0.9145972), wk = 0.0030769 k( 258) = ( 0.6222989 0.1787352 -0.9048777), wk = 0.0030769 k( 259) = ( 0.6397702 0.1837533 -0.8951582), wk = 0.0030769 k( 260) = ( 0.6572415 0.1887714 -0.8854387), wk = 0.0030769 k( 261) = ( 0.6572415 0.1887714 -0.8854387), wk = 0.0030769 k( 262) = ( 0.6538232 0.1877896 -0.8642883), wk = 0.0030769 k( 263) = ( 0.6504049 0.1868078 -0.8431380), wk = 0.0030769 k( 264) = ( 0.6469866 0.1858260 -0.8219877), wk = 0.0030769 k( 265) = ( 0.6435683 0.1848442 -0.8008374), wk = 0.0030769 k( 266) = ( 0.6401500 0.1838624 -0.7796871), wk = 0.0030769 k( 267) = ( 0.6367317 0.1828806 -0.7585368), wk = 0.0030769 k( 268) = ( 0.6333134 0.1818988 -0.7373864), wk = 0.0030769 k( 269) = ( 0.6298951 0.1809170 -0.7162361), wk = 0.0030769 k( 270) = ( 0.6264769 0.1799352 -0.6950858), wk = 0.0030769 k( 271) = ( 0.6230586 0.1789534 -0.6739355), wk = 0.0030769 k( 272) = ( 0.6196403 0.1779716 -0.6527852), wk = 0.0030769 k( 273) = ( 0.6162220 0.1769898 -0.6316349), wk = 0.0030769 k( 274) = ( 0.6128037 0.1760080 -0.6104846), wk = 0.0030769 k( 275) = ( 0.6093854 0.1750262 -0.5893343), wk = 0.0030769 k( 276) = ( 0.6059671 0.1740444 -0.5681839), wk = 0.0030769 k( 277) = ( 0.6025488 0.1730627 -0.5470336), wk = 0.0030769 k( 278) = ( 0.5991305 0.1720809 -0.5258833), wk = 0.0030769 k( 279) = ( 0.5957122 0.1710991 -0.5047330), wk = 0.0030769 k( 280) = ( 0.5922939 0.1701173 -0.4835827), wk = 0.0030769 k( 281) = ( 0.5888756 0.1691355 -0.4624324), wk = 0.0030769 k( 282) = ( 0.5854573 0.1681537 -0.4412820), wk = 0.0030769 k( 283) = ( 0.5820390 0.1671719 -0.4201317), wk = 0.0030769 k( 284) = ( 0.5786208 0.1661901 -0.3989814), wk = 0.0030769 k( 285) = ( 0.5752025 0.1652083 -0.3778311), wk = 0.0030769 k( 286) = ( 0.5717842 0.1642265 -0.3566808), wk = 0.0030769 k( 287) = ( 0.5683659 0.1632447 -0.3355305), wk = 0.0030769 k( 288) = ( 0.5649476 0.1622629 -0.3143802), wk = 0.0030769 k( 289) = ( 0.5615293 0.1612811 -0.2932298), wk = 0.0030769 k( 290) = ( 0.5581110 0.1602993 -0.2720795), wk = 0.0030769 k( 291) = ( 0.5546927 0.1593175 -0.2509292), wk = 0.0030769 k( 292) = ( 0.5512744 0.1583357 -0.2297789), wk = 0.0030769 k( 293) = ( 0.5478561 0.1573539 -0.2086286), wk = 0.0030769 k( 294) = ( 0.5444378 0.1563722 -0.1874783), wk = 0.0030769 k( 295) = ( 0.5410195 0.1553904 -0.1663280), wk = 0.0030769 k( 296) = ( 0.5376012 0.1544086 -0.1451776), wk = 0.0030769 k( 297) = ( 0.5341829 0.1534268 -0.1240273), wk = 0.0030769 k( 298) = ( 0.5307646 0.1524450 -0.1028770), wk = 0.0030769 k( 299) = ( 0.5273463 0.1514632 -0.0817267), wk = 0.0030769 k( 300) = ( 0.5239280 0.1504814 -0.0605764), wk = 0.0030769 k( 301) = ( 0.5205098 0.1494996 -0.0394261), wk = 0.0030769 k( 302) = ( 0.5170915 0.1485178 -0.0182758), wk = 0.0030769 k( 303) = ( 0.5136732 0.1475360 0.0028746), wk = 0.0030769 k( 304) = ( 0.5102549 0.1465542 0.0240249), wk = 0.0030769 k( 305) = ( 0.5068366 0.1455724 0.0451752), wk = 0.0030769 k( 306) = ( 0.5034183 0.1445906 0.0663255), wk = 0.0030769 k( 307) = ( 0.5000000 0.1436088 0.0874758), wk = 0.0030769 k( 308) = ( 0.5000000 -0.7986156 -0.4864572), wk = 0.0030769 k( 309) = ( 0.5184990 -0.7901681 -0.4813116), wk = 0.0030769 k( 310) = ( 0.5369980 -0.7817205 -0.4761660), wk = 0.0030769 k( 311) = ( 0.5554970 -0.7732729 -0.4710203), wk = 0.0030769 k( 312) = ( 0.5739960 -0.7648253 -0.4658747), wk = 0.0030769 k( 313) = ( 0.5924950 -0.7563777 -0.4607291), wk = 0.0030769 k( 314) = ( 0.6109940 -0.7479302 -0.4555834), wk = 0.0030769 k( 315) = ( 0.6294930 -0.7394826 -0.4504378), wk = 0.0030769 k( 316) = ( 0.6479920 -0.7310350 -0.4452921), wk = 0.0030769 k( 317) = ( 0.6664910 -0.7225874 -0.4401465), wk = 0.0030769 k( 318) = ( 0.6849900 -0.7141398 -0.4350009), wk = 0.0030769 k( 319) = ( 0.7034890 -0.7056923 -0.4298552), wk = 0.0030769 k( 320) = ( 0.7219880 -0.6972447 -0.4247096), wk = 0.0030769 k( 321) = ( 0.7404870 -0.6887971 -0.4195640), wk = 0.0030769 k( 322) = ( 0.7589860 -0.6803495 -0.4144183), wk = 0.0030769 k( 323) = ( 0.7774850 -0.6719020 -0.4092727), wk = 0.0030769 k( 324) = ( 0.7959840 -0.6634544 -0.4041271), wk = 0.0030769 k( 325) = ( 0.8144830 -0.6550068 -0.3989814), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0102041 -0.0000000 0.0000000), wk = 0.0030769 k( 3) = ( 0.0204082 -0.0000000 0.0000000), wk = 0.0030769 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0030769 k( 5) = ( 0.0408163 0.0000000 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0030769 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0030769 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0030769 k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0030769 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0030769 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0030769 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0030769 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0030769 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0030769 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0030769 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0030769 k( 17) = ( 0.1632653 0.0000000 -0.0000000), wk = 0.0030769 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0030769 k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0030769 k( 20) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0030769 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0030769 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0030769 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0030769 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0030769 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0030769 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0030769 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0030769 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0030769 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0030769 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0030769 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0030769 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0030769 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0030769 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0030769 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0030769 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0030769 k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0030769 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0030769 k( 39) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0030769 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0030769 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0030769 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0030769 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0030769 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0030769 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.5000000 0.0057974 -0.0057974), wk = 0.0030769 k( 53) = ( 0.5000000 0.0115948 -0.0115948), wk = 0.0030769 k( 54) = ( 0.5000000 0.0173922 -0.0173922), wk = 0.0030769 k( 55) = ( 0.5000000 0.0231896 -0.0231896), wk = 0.0030769 k( 56) = ( 0.5000000 0.0289870 -0.0289870), wk = 0.0030769 k( 57) = ( 0.5000000 0.0347844 -0.0347844), wk = 0.0030769 k( 58) = ( 0.5000000 0.0405819 -0.0405818), wk = 0.0030769 k( 59) = ( 0.5000000 0.0463793 -0.0463792), wk = 0.0030769 k( 60) = ( 0.5000000 0.0521767 -0.0521767), wk = 0.0030769 k( 61) = ( 0.5000000 0.0579741 -0.0579741), wk = 0.0030769 k( 62) = ( 0.5000000 0.0637715 -0.0637715), wk = 0.0030769 k( 63) = ( 0.5000000 0.0695689 -0.0695689), wk = 0.0030769 k( 64) = ( 0.5000000 0.0753663 -0.0753663), wk = 0.0030769 k( 65) = ( 0.5000000 0.0811637 -0.0811637), wk = 0.0030769 k( 66) = ( 0.5000000 0.0869611 -0.0869611), wk = 0.0030769 k( 67) = ( 0.5000000 0.0927585 -0.0927585), wk = 0.0030769 k( 68) = ( 0.5000000 0.0985559 -0.0985559), wk = 0.0030769 k( 69) = ( 0.5000000 0.1043533 -0.1043533), wk = 0.0030769 k( 70) = ( 0.5000000 0.1101507 -0.1101507), wk = 0.0030769 k( 71) = ( 0.5000000 0.1159481 -0.1159481), wk = 0.0030769 k( 72) = ( 0.5000000 0.1217455 -0.1217455), wk = 0.0030769 k( 73) = ( 0.5000000 0.1275429 -0.1275429), wk = 0.0030769 k( 74) = ( 0.5000000 0.1333404 -0.1333403), wk = 0.0030769 k( 75) = ( 0.5000000 0.1391378 -0.1391378), wk = 0.0030769 k( 76) = ( 0.5000000 0.1449352 -0.1449352), wk = 0.0030769 k( 77) = ( 0.5000000 0.1507326 -0.1507326), wk = 0.0030769 k( 78) = ( 0.5000000 0.1565300 -0.1565300), wk = 0.0030769 k( 79) = ( 0.5000000 0.1623274 -0.1623274), wk = 0.0030769 k( 80) = ( 0.5000000 0.1681248 -0.1681248), wk = 0.0030769 k( 81) = ( 0.5000000 0.1739222 -0.1739222), wk = 0.0030769 k( 82) = ( 0.5000000 0.1797196 -0.1797196), wk = 0.0030769 k( 83) = ( 0.5000000 0.1855170 -0.1855170), wk = 0.0030769 k( 84) = ( 0.8144830 0.5000000 0.1855170), wk = 0.0030769 k( 85) = ( 0.8085493 0.5000000 0.1914507), wk = 0.0030769 k( 86) = ( 0.8026157 0.5000000 0.1973843), wk = 0.0030769 k( 87) = ( 0.7966821 0.5000000 0.2033179), wk = 0.0030769 k( 88) = ( 0.7907484 0.5000000 0.2092516), wk = 0.0030769 k( 89) = ( 0.7848148 0.5000000 0.2151852), wk = 0.0030769 k( 90) = ( 0.7788811 0.5000000 0.2211189), wk = 0.0030769 k( 91) = ( 0.7729475 0.5000000 0.2270525), wk = 0.0030769 k( 92) = ( 0.7670139 0.5000000 0.2329861), wk = 0.0030769 k( 93) = ( 0.7610802 0.5000000 0.2389198), wk = 0.0030769 k( 94) = ( 0.7551466 0.5000000 0.2448534), wk = 0.0030769 k( 95) = ( 0.7492129 0.5000000 0.2507871), wk = 0.0030769 k( 96) = ( 0.7432793 0.5000000 0.2567207), wk = 0.0030769 k( 97) = ( 0.7373456 0.5000000 0.2626544), wk = 0.0030769 k( 98) = ( 0.7314120 0.5000000 0.2685880), wk = 0.0030769 k( 99) = ( 0.7254784 0.5000000 0.2745216), wk = 0.0030769 k( 100) = ( 0.7195447 0.5000000 0.2804553), wk = 0.0030769 k( 101) = ( 0.7136111 0.5000000 0.2863889), wk = 0.0030769 k( 102) = ( 0.7076775 0.5000000 0.2923226), wk = 0.0030769 k( 103) = ( 0.7017438 0.5000000 0.2982562), wk = 0.0030769 k( 104) = ( 0.6958102 0.5000000 0.3041898), wk = 0.0030769 k( 105) = ( 0.6898765 0.5000000 0.3101235), wk = 0.0030769 k( 106) = ( 0.6839429 0.5000000 0.3160571), wk = 0.0030769 k( 107) = ( 0.6780092 0.5000000 0.3219908), wk = 0.0030769 k( 108) = ( 0.6720756 0.5000000 0.3279244), wk = 0.0030769 k( 109) = ( 0.6661420 0.5000000 0.3338580), wk = 0.0030769 k( 110) = ( 0.6602083 0.5000000 0.3397917), wk = 0.0030769 k( 111) = ( 0.6542747 0.5000000 0.3457253), wk = 0.0030769 k( 112) = ( 0.6483410 0.5000000 0.3516590), wk = 0.0030769 k( 113) = ( 0.6424074 0.5000000 0.3575926), wk = 0.0030769 k( 114) = ( 0.6364737 0.5000000 0.3635263), wk = 0.0030769 k( 115) = ( 0.6305401 0.5000000 0.3694599), wk = 0.0030769 k( 116) = ( 0.6246065 0.5000000 0.3753935), wk = 0.0030769 k( 117) = ( 0.6186728 0.5000000 0.3813272), wk = 0.0030769 k( 118) = ( 0.6127392 0.5000000 0.3872608), wk = 0.0030769 k( 119) = ( 0.6068055 0.5000000 0.3931945), wk = 0.0030769 k( 120) = ( 0.6008719 0.5000000 0.3991281), wk = 0.0030769 k( 121) = ( 0.5949383 0.5000000 0.4050617), wk = 0.0030769 k( 122) = ( 0.5890046 0.5000000 0.4109954), wk = 0.0030769 k( 123) = ( 0.5830710 0.5000000 0.4169290), wk = 0.0030769 k( 124) = ( 0.5771373 0.5000000 0.4228627), wk = 0.0030769 k( 125) = ( 0.5712037 0.5000000 0.4287963), wk = 0.0030769 k( 126) = ( 0.5652700 0.5000000 0.4347300), wk = 0.0030769 k( 127) = ( 0.5593364 0.5000000 0.4406636), wk = 0.0030769 k( 128) = ( 0.5534028 0.5000000 0.4465972), wk = 0.0030769 k( 129) = ( 0.5474691 0.5000000 0.4525309), wk = 0.0030769 k( 130) = ( 0.5415355 0.5000000 0.4584645), wk = 0.0030769 k( 131) = ( 0.5356019 0.5000000 0.4643982), wk = 0.0030769 k( 132) = ( 0.5296682 0.5000000 0.4703318), wk = 0.0030769 k( 133) = ( 0.5237346 0.5000000 0.4762654), wk = 0.0030769 k( 134) = ( 0.5178009 0.5000000 0.4821991), wk = 0.0030769 k( 135) = ( 0.5118673 0.5000000 0.4881327), wk = 0.0030769 k( 136) = ( 0.5059336 0.5000000 0.4940664), wk = 0.0030769 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 139) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0030769 k( 140) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0030769 k( 141) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0030769 k( 142) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0030769 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0030769 k( 144) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0030769 k( 145) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0030769 k( 146) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0030769 k( 147) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0030769 k( 148) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0030769 k( 149) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0030769 k( 150) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0030769 k( 151) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0030769 k( 152) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0030769 k( 153) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0030769 k( 154) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0030769 k( 155) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0030769 k( 156) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0030769 k( 157) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0030769 k( 158) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0030769 k( 159) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0030769 k( 160) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0030769 k( 161) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0030769 k( 162) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0030769 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 165) = ( 0.0059096 0.0000000 -0.0059096), wk = 0.0030769 k( 166) = ( 0.0118193 0.0000000 -0.0118193), wk = 0.0030769 k( 167) = ( 0.0177289 0.0000000 -0.0177289), wk = 0.0030769 k( 168) = ( 0.0236385 0.0000000 -0.0236385), wk = 0.0030769 k( 169) = ( 0.0295481 0.0000000 -0.0295481), wk = 0.0030769 k( 170) = ( 0.0354578 0.0000000 -0.0354578), wk = 0.0030769 k( 171) = ( 0.0413674 0.0000000 -0.0413674), wk = 0.0030769 k( 172) = ( 0.0472770 0.0000000 -0.0472770), wk = 0.0030769 k( 173) = ( 0.0531867 0.0000000 -0.0531867), wk = 0.0030769 k( 174) = ( 0.0590963 0.0000000 -0.0590963), wk = 0.0030769 k( 175) = ( 0.0650059 0.0000000 -0.0650059), wk = 0.0030769 k( 176) = ( 0.0709155 0.0000000 -0.0709155), wk = 0.0030769 k( 177) = ( 0.0768252 0.0000000 -0.0768252), wk = 0.0030769 k( 178) = ( 0.0827348 -0.0000000 -0.0827348), wk = 0.0030769 k( 179) = ( 0.0886444 0.0000000 -0.0886444), wk = 0.0030769 k( 180) = ( 0.0945541 0.0000000 -0.0945541), wk = 0.0030769 k( 181) = ( 0.1004637 0.0000000 -0.1004637), wk = 0.0030769 k( 182) = ( 0.1063733 0.0000000 -0.1063733), wk = 0.0030769 k( 183) = ( 0.1122830 0.0000000 -0.1122830), wk = 0.0030769 k( 184) = ( 0.1181926 0.0000000 -0.1181926), wk = 0.0030769 k( 185) = ( 0.1241022 0.0000000 -0.1241022), wk = 0.0030769 k( 186) = ( 0.1300119 0.0000000 -0.1300119), wk = 0.0030769 k( 187) = ( 0.1359215 0.0000000 -0.1359215), wk = 0.0030769 k( 188) = ( 0.1418311 0.0000000 -0.1418311), wk = 0.0030769 k( 189) = ( 0.1477407 0.0000000 -0.1477407), wk = 0.0030769 k( 190) = ( 0.1536504 0.0000000 -0.1536504), wk = 0.0030769 k( 191) = ( 0.1595600 0.0000000 -0.1595600), wk = 0.0030769 k( 192) = ( 0.1654696 -0.0000000 -0.1654696), wk = 0.0030769 k( 193) = ( 0.1713793 0.0000000 -0.1713792), wk = 0.0030769 k( 194) = ( 0.1772889 0.0000000 -0.1772889), wk = 0.0030769 k( 195) = ( 0.1831985 0.0000000 -0.1831985), wk = 0.0030769 k( 196) = ( 0.1891081 0.0000000 -0.1891081), wk = 0.0030769 k( 197) = ( 0.1950178 0.0000000 -0.1950178), wk = 0.0030769 k( 198) = ( 0.2009274 0.0000000 -0.2009274), wk = 0.0030769 k( 199) = ( 0.2068370 0.0000000 -0.2068370), wk = 0.0030769 k( 200) = ( 0.2127467 0.0000000 -0.2127467), wk = 0.0030769 k( 201) = ( 0.2186563 0.0000000 -0.2186563), wk = 0.0030769 k( 202) = ( 0.2245659 0.0000000 -0.2245659), wk = 0.0030769 k( 203) = ( 0.2304756 0.0000000 -0.2304755), wk = 0.0030769 k( 204) = ( 0.2363852 0.0000000 -0.2363852), wk = 0.0030769 k( 205) = ( 0.2422948 0.0000000 -0.2422948), wk = 0.0030769 k( 206) = ( 0.2482044 0.0000000 -0.2482044), wk = 0.0030769 k( 207) = ( 0.2541141 0.0000000 -0.2541141), wk = 0.0030769 k( 208) = ( 0.2600237 0.0000000 -0.2600237), wk = 0.0030769 k( 209) = ( 0.2659333 0.0000000 -0.2659333), wk = 0.0030769 k( 210) = ( 0.2718430 0.0000000 -0.2718430), wk = 0.0030769 k( 211) = ( 0.2777526 0.0000000 -0.2777526), wk = 0.0030769 k( 212) = ( 0.2836622 0.0000000 -0.2836622), wk = 0.0030769 k( 213) = ( 0.2895718 0.0000000 -0.2895718), wk = 0.0030769 k( 214) = ( 0.2954815 0.0000000 -0.2954815), wk = 0.0030769 k( 215) = ( 0.3013911 0.0000000 -0.3013911), wk = 0.0030769 k( 216) = ( 0.3073007 0.0000000 -0.3073007), wk = 0.0030769 k( 217) = ( 0.3132104 0.0000000 -0.3132104), wk = 0.0030769 k( 218) = ( 0.3191200 0.0000000 -0.3191200), wk = 0.0030769 k( 219) = ( 0.3250296 0.0000000 -0.3250296), wk = 0.0030769 k( 220) = ( 0.3309393 0.0000000 -0.3309393), wk = 0.0030769 k( 221) = ( 0.3368489 0.0000000 -0.3368489), wk = 0.0030769 k( 222) = ( 0.3427585 0.0000000 -0.3427585), wk = 0.0030769 k( 223) = ( 0.6572415 0.3427585 0.0000000), wk = 0.0030769 k( 224) = ( 0.6514177 0.3485823 0.0000000), wk = 0.0030769 k( 225) = ( 0.6455940 0.3544060 0.0000000), wk = 0.0030769 k( 226) = ( 0.6397702 0.3602298 0.0000000), wk = 0.0030769 k( 227) = ( 0.6339465 0.3660535 0.0000000), wk = 0.0030769 k( 228) = ( 0.6281227 0.3718773 0.0000000), wk = 0.0030769 k( 229) = ( 0.6222989 0.3777011 0.0000000), wk = 0.0030769 k( 230) = ( 0.6164752 0.3835248 0.0000000), wk = 0.0030769 k( 231) = ( 0.6106514 0.3893486 0.0000000), wk = 0.0030769 k( 232) = ( 0.6048277 0.3951723 0.0000000), wk = 0.0030769 k( 233) = ( 0.5990039 0.4009961 0.0000000), wk = 0.0030769 k( 234) = ( 0.5931802 0.4068199 0.0000000), wk = 0.0030769 k( 235) = ( 0.5873564 0.4126436 -0.0000000), wk = 0.0030769 k( 236) = ( 0.5815326 0.4184674 0.0000000), wk = 0.0030769 k( 237) = ( 0.5757089 0.4242911 0.0000000), wk = 0.0030769 k( 238) = ( 0.5698851 0.4301149 -0.0000000), wk = 0.0030769 k( 239) = ( 0.5640614 0.4359387 0.0000000), wk = 0.0030769 k( 240) = ( 0.5582376 0.4417624 0.0000000), wk = 0.0030769 k( 241) = ( 0.5524138 0.4475862 0.0000000), wk = 0.0030769 k( 242) = ( 0.5465901 0.4534099 0.0000000), wk = 0.0030769 k( 243) = ( 0.5407663 0.4592337 0.0000000), wk = 0.0030769 k( 244) = ( 0.5349426 0.4650575 0.0000000), wk = 0.0030769 k( 245) = ( 0.5291188 0.4708812 -0.0000000), wk = 0.0030769 k( 246) = ( 0.5232950 0.4767050 0.0000000), wk = 0.0030769 k( 247) = ( 0.5174713 0.4825287 0.0000000), wk = 0.0030769 k( 248) = ( 0.5116475 0.4883525 0.0000000), wk = 0.0030769 k( 249) = ( 0.5058238 0.4941762 0.0000000), wk = 0.0030769 k( 250) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 251) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 252) = ( 0.5174713 0.5174713 0.0206130), wk = 0.0030769 k( 253) = ( 0.5349426 0.5349426 0.0412260), wk = 0.0030769 k( 254) = ( 0.5524138 0.5524138 0.0618390), wk = 0.0030769 k( 255) = ( 0.5698851 0.5698851 0.0824520), wk = 0.0030769 k( 256) = ( 0.5873564 0.5873564 0.1030650), wk = 0.0030769 k( 257) = ( 0.6048277 0.6048277 0.1236780), wk = 0.0030769 k( 258) = ( 0.6222989 0.6222989 0.1442910), wk = 0.0030769 k( 259) = ( 0.6397702 0.6397702 0.1649040), wk = 0.0030769 k( 260) = ( 0.6572415 0.6572415 0.1855170), wk = 0.0030769 k( 261) = ( 0.6572415 0.6572415 0.1855170), wk = 0.0030769 k( 262) = ( 0.6538232 0.6538232 0.1923536), wk = 0.0030769 k( 263) = ( 0.6504049 0.6504049 0.1991902), wk = 0.0030769 k( 264) = ( 0.6469866 0.6469866 0.2060268), wk = 0.0030769 k( 265) = ( 0.6435683 0.6435683 0.2128634), wk = 0.0030769 k( 266) = ( 0.6401500 0.6401500 0.2196999), wk = 0.0030769 k( 267) = ( 0.6367317 0.6367317 0.2265365), wk = 0.0030769 k( 268) = ( 0.6333134 0.6333134 0.2333731), wk = 0.0030769 k( 269) = ( 0.6298951 0.6298952 0.2402097), wk = 0.0030769 k( 270) = ( 0.6264769 0.6264769 0.2470463), wk = 0.0030769 k( 271) = ( 0.6230586 0.6230586 0.2538829), wk = 0.0030769 k( 272) = ( 0.6196403 0.6196403 0.2607195), wk = 0.0030769 k( 273) = ( 0.6162220 0.6162220 0.2675561), wk = 0.0030769 k( 274) = ( 0.6128037 0.6128037 0.2743926), wk = 0.0030769 k( 275) = ( 0.6093854 0.6093854 0.2812292), wk = 0.0030769 k( 276) = ( 0.6059671 0.6059671 0.2880658), wk = 0.0030769 k( 277) = ( 0.6025488 0.6025488 0.2949024), wk = 0.0030769 k( 278) = ( 0.5991305 0.5991305 0.3017390), wk = 0.0030769 k( 279) = ( 0.5957122 0.5957122 0.3085756), wk = 0.0030769 k( 280) = ( 0.5922939 0.5922939 0.3154122), wk = 0.0030769 k( 281) = ( 0.5888756 0.5888756 0.3222487), wk = 0.0030769 k( 282) = ( 0.5854573 0.5854573 0.3290853), wk = 0.0030769 k( 283) = ( 0.5820390 0.5820390 0.3359219), wk = 0.0030769 k( 284) = ( 0.5786208 0.5786208 0.3427585), wk = 0.0030769 k( 285) = ( 0.5752025 0.5752025 0.3495951), wk = 0.0030769 k( 286) = ( 0.5717842 0.5717842 0.3564317), wk = 0.0030769 k( 287) = ( 0.5683659 0.5683659 0.3632683), wk = 0.0030769 k( 288) = ( 0.5649476 0.5649476 0.3701048), wk = 0.0030769 k( 289) = ( 0.5615293 0.5615293 0.3769414), wk = 0.0030769 k( 290) = ( 0.5581110 0.5581110 0.3837780), wk = 0.0030769 k( 291) = ( 0.5546927 0.5546927 0.3906146), wk = 0.0030769 k( 292) = ( 0.5512744 0.5512744 0.3974512), wk = 0.0030769 k( 293) = ( 0.5478561 0.5478561 0.4042878), wk = 0.0030769 k( 294) = ( 0.5444378 0.5444378 0.4111244), wk = 0.0030769 k( 295) = ( 0.5410195 0.5410195 0.4179610), wk = 0.0030769 k( 296) = ( 0.5376012 0.5376012 0.4247976), wk = 0.0030769 k( 297) = ( 0.5341829 0.5341829 0.4316341), wk = 0.0030769 k( 298) = ( 0.5307646 0.5307646 0.4384707), wk = 0.0030769 k( 299) = ( 0.5273463 0.5273463 0.4453073), wk = 0.0030769 k( 300) = ( 0.5239280 0.5239281 0.4521439), wk = 0.0030769 k( 301) = ( 0.5205098 0.5205098 0.4589805), wk = 0.0030769 k( 302) = ( 0.5170915 0.5170915 0.4658171), wk = 0.0030769 k( 303) = ( 0.5136732 0.5136732 0.4726536), wk = 0.0030769 k( 304) = ( 0.5102549 0.5102549 0.4794902), wk = 0.0030769 k( 305) = ( 0.5068366 0.5068366 0.4863268), wk = 0.0030769 k( 306) = ( 0.5034183 0.5034183 0.4931634), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 308) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030769 k( 309) = ( 0.5184990 0.0201623 0.0201623), wk = 0.0030769 k( 310) = ( 0.5369980 0.0403245 0.0403245), wk = 0.0030769 k( 311) = ( 0.5554970 0.0604868 0.0604868), wk = 0.0030769 k( 312) = ( 0.5739960 0.0806491 0.0806491), wk = 0.0030769 k( 313) = ( 0.5924950 0.1008113 0.1008113), wk = 0.0030769 k( 314) = ( 0.6109940 0.1209736 0.1209736), wk = 0.0030769 k( 315) = ( 0.6294930 0.1411359 0.1411359), wk = 0.0030769 k( 316) = ( 0.6479920 0.1612981 0.1612981), wk = 0.0030769 k( 317) = ( 0.6664910 0.1814604 0.1814604), wk = 0.0030769 k( 318) = ( 0.6849900 0.2016227 0.2016227), wk = 0.0030769 k( 319) = ( 0.7034890 0.2217849 0.2217849), wk = 0.0030769 k( 320) = ( 0.7219880 0.2419472 0.2419472), wk = 0.0030769 k( 321) = ( 0.7404870 0.2621094 0.2621094), wk = 0.0030769 k( 322) = ( 0.7589860 0.2822717 0.2822717), wk = 0.0030769 k( 323) = ( 0.7774850 0.3024340 0.3024340), wk = 0.0030769 k( 324) = ( 0.7959840 0.3225962 0.3225962), wk = 0.0030769 k( 325) = ( 0.8144830 0.3427585 0.3427585), wk = 0.0030769 Dense grid: 28791 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 22547 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 168, 44) NL pseudopotentials 0.17 Mb ( 84, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 801) G-vector shells 0.00 Mb ( 650) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 168, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./InAgS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.8 secs Computing kpt #: 23 total cpu time spent up to now is 14.3 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.6 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.6 secs Computing kpt #: 32 total cpu time spent up to now is 19.0 secs Computing kpt #: 33 total cpu time spent up to now is 19.5 secs Computing kpt #: 34 total cpu time spent up to now is 20.0 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.7 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.4 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.3 secs Computing kpt #: 47 total cpu time spent up to now is 25.7 secs Computing kpt #: 48 total cpu time spent up to now is 26.2 secs Computing kpt #: 49 total cpu time spent up to now is 26.6 secs Computing kpt #: 50 total cpu time spent up to now is 27.1 secs Computing kpt #: 51 total cpu time spent up to now is 27.5 secs Computing kpt #: 52 total cpu time spent up to now is 27.9 secs Computing kpt #: 53 total cpu time spent up to now is 28.3 secs Computing kpt #: 54 total cpu time spent up to now is 28.8 secs Computing kpt #: 55 total cpu time spent up to now is 29.2 secs Computing kpt #: 56 total cpu time spent up to now is 29.7 secs Computing kpt #: 57 total cpu time spent up to now is 30.1 secs Computing kpt #: 58 total cpu time spent up to now is 30.5 secs Computing kpt #: 59 total cpu time spent up to now is 31.0 secs Computing kpt #: 60 total cpu time spent up to now is 31.4 secs Computing kpt #: 61 total cpu time spent up to now is 31.9 secs Computing kpt #: 62 total cpu time spent up to now is 32.3 secs Computing kpt #: 63 total cpu time spent up to now is 32.8 secs Computing kpt #: 64 total cpu time spent up to now is 33.3 secs Computing kpt #: 65 total cpu time spent up to now is 33.7 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.6 secs Computing kpt #: 68 total cpu time spent up to now is 35.1 secs Computing kpt #: 69 total cpu time spent up to now is 35.6 secs Computing kpt #: 70 total cpu time spent up to now is 36.1 secs Computing kpt #: 71 total cpu time spent up to now is 36.5 secs Computing kpt #: 72 total cpu time spent up to now is 37.0 secs Computing kpt #: 73 total cpu time spent up to now is 37.5 secs Computing kpt #: 74 total cpu time spent up to now is 37.9 secs Computing kpt #: 75 total cpu time spent up to now is 38.4 secs Computing kpt #: 76 total cpu time spent up to now is 38.8 secs Computing kpt #: 77 total cpu time spent up to now is 39.3 secs Computing kpt #: 78 total cpu time spent up to now is 39.8 secs Computing kpt #: 79 total cpu time spent up to now is 40.2 secs Computing kpt #: 80 total cpu time spent up to now is 40.6 secs Computing kpt #: 81 total cpu time spent up to now is 41.1 secs Computing kpt #: 82 total cpu time spent up to now is 41.6 secs Computing kpt #: 83 total cpu time spent up to now is 42.0 secs Computing kpt #: 84 total cpu time spent up to now is 42.5 secs Computing kpt #: 85 total cpu time spent up to now is 42.9 secs Computing kpt #: 86 total cpu time spent up to now is 43.4 secs Computing kpt #: 87 total cpu time spent up to now is 43.8 secs Computing kpt #: 88 total cpu time spent up to now is 44.3 secs Computing kpt #: 89 total cpu time spent up to now is 44.8 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.7 secs Computing kpt #: 92 total cpu time spent up to now is 46.2 secs Computing kpt #: 93 total cpu time spent up to now is 46.6 secs Computing kpt #: 94 total cpu time spent up to now is 47.1 secs Computing kpt #: 95 total cpu time spent up to now is 47.6 secs Computing kpt #: 96 total cpu time spent up to now is 48.0 secs Computing kpt #: 97 total cpu time spent up to now is 48.5 secs Computing kpt #: 98 total cpu time spent up to now is 49.0 secs Computing kpt #: 99 total cpu time spent up to now is 49.5 secs Computing kpt #: 100 total cpu time spent up to now is 49.9 secs Computing kpt #: 101 total cpu time spent up to now is 50.4 secs Computing kpt #: 102 total cpu time spent up to now is 50.9 secs Computing kpt #: 103 total cpu time spent up to now is 51.4 secs Computing kpt #: 104 total cpu time spent up to now is 51.9 secs Computing kpt #: 105 total cpu time spent up to now is 52.5 secs Computing kpt #: 106 total cpu time spent up to now is 53.1 secs Computing kpt #: 107 total cpu time spent up to now is 53.6 secs Computing kpt #: 108 total cpu time spent up to now is 54.2 secs Computing kpt #: 109 total cpu time spent up to now is 54.7 secs Computing kpt #: 110 total cpu time spent up to now is 55.3 secs Computing kpt #: 111 total cpu time spent up to now is 55.9 secs Computing kpt #: 112 total cpu time spent up to now is 56.4 secs Computing kpt #: 113 total cpu time spent up to now is 56.9 secs Computing kpt #: 114 total cpu time spent up to now is 57.4 secs Computing kpt #: 115 total cpu time spent up to now is 57.8 secs Computing kpt #: 116 total cpu time spent up to now is 58.3 secs Computing kpt #: 117 total cpu time spent up to now is 58.7 secs Computing kpt #: 118 total cpu time spent up to now is 59.2 secs Computing kpt #: 119 total cpu time spent up to now is 59.7 secs Computing kpt #: 120 total cpu time spent up to now is 60.1 secs Computing kpt #: 121 total cpu time spent up to now is 60.6 secs Computing kpt #: 122 total cpu time spent up to now is 61.0 secs Computing kpt #: 123 total cpu time spent up to now is 61.4 secs Computing kpt #: 124 total cpu time spent up to now is 61.9 secs Computing kpt #: 125 total cpu time spent up to now is 62.3 secs Computing kpt #: 126 total cpu time spent up to now is 62.8 secs Computing kpt #: 127 total cpu time spent up to now is 63.2 secs Computing kpt #: 128 total cpu time spent up to now is 63.7 secs Computing kpt #: 129 total cpu time spent up to now is 64.1 secs Computing kpt #: 130 total cpu time spent up to now is 64.6 secs Computing kpt #: 131 total cpu time spent up to now is 65.1 secs Computing kpt #: 132 total cpu time spent up to now is 65.5 secs Computing kpt #: 133 total cpu time spent up to now is 66.0 secs Computing kpt #: 134 total cpu time spent up to now is 66.5 secs Computing kpt #: 135 total cpu time spent up to now is 66.9 secs Computing kpt #: 136 total cpu time spent up to now is 67.4 secs Computing kpt #: 137 total cpu time spent up to now is 67.8 secs Computing kpt #: 138 total cpu time spent up to now is 68.3 secs Computing kpt #: 139 total cpu time spent up to now is 68.8 secs Computing kpt #: 140 total cpu time spent up to now is 69.2 secs Computing kpt #: 141 total cpu time spent up to now is 69.7 secs Computing kpt #: 142 total cpu time spent up to now is 70.1 secs Computing kpt #: 143 total cpu time spent up to now is 70.6 secs Computing kpt #: 144 total cpu time spent up to now is 71.1 secs Computing kpt #: 145 total cpu time spent up to now is 71.5 secs Computing kpt #: 146 total cpu time spent up to now is 72.0 secs Computing kpt #: 147 total cpu time spent up to now is 72.4 secs Computing kpt #: 148 total cpu time spent up to now is 72.9 secs Computing kpt #: 149 total cpu time spent up to now is 73.4 secs Computing kpt #: 150 total cpu time spent up to now is 73.8 secs Computing kpt #: 151 total cpu time spent up to now is 74.3 secs Computing kpt #: 152 total cpu time spent up to now is 74.7 secs Computing kpt #: 153 total cpu time spent up to now is 75.2 secs Computing kpt #: 154 total cpu time spent up to now is 75.6 secs Computing kpt #: 155 total cpu time spent up to now is 76.0 secs Computing kpt #: 156 total cpu time spent up to now is 76.5 secs Computing kpt #: 157 total cpu time spent up to now is 76.9 secs Computing kpt #: 158 total cpu time spent up to now is 77.4 secs Computing kpt #: 159 total cpu time spent up to now is 77.9 secs Computing kpt #: 160 total cpu time spent up to now is 78.5 secs Computing kpt #: 161 total cpu time spent up to now is 79.0 secs Computing kpt #: 162 total cpu time spent up to now is 79.6 secs Computing kpt #: 163 total cpu time spent up to now is 80.1 secs Computing kpt #: 164 total cpu time spent up to now is 80.7 secs Computing kpt #: 165 total cpu time spent up to now is 81.2 secs Computing kpt #: 166 total cpu time spent up to now is 81.7 secs Computing kpt #: 167 total cpu time spent up to now is 82.2 secs Computing kpt #: 168 total cpu time spent up to now is 82.7 secs Computing kpt #: 169 total cpu time spent up to now is 83.1 secs Computing kpt #: 170 total cpu time spent up to now is 83.6 secs Computing kpt #: 171 total cpu time spent up to now is 84.0 secs Computing kpt #: 172 total cpu time spent up to now is 84.5 secs Computing kpt #: 173 total cpu time spent up to now is 84.9 secs Computing kpt #: 174 total cpu time spent up to now is 85.4 secs Computing kpt #: 175 total cpu time spent up to now is 85.8 secs Computing kpt #: 176 total cpu time spent up to now is 86.3 secs Computing kpt #: 177 total cpu time spent up to now is 86.8 secs Computing kpt #: 178 total cpu time spent up to now is 87.2 secs Computing kpt #: 179 total cpu time spent up to now is 87.7 secs Computing kpt #: 180 total cpu time spent up to now is 88.1 secs Computing kpt #: 181 total cpu time spent up to now is 88.6 secs Computing kpt #: 182 total cpu time spent up to now is 89.0 secs Computing kpt #: 183 total cpu time spent up to now is 89.5 secs Computing kpt #: 184 total cpu time spent up to now is 90.0 secs Computing kpt #: 185 total cpu time spent up to now is 90.5 secs Computing kpt #: 186 total cpu time spent up to now is 90.9 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 92.1 secs Computing kpt #: 189 total cpu time spent up to now is 92.6 secs Computing kpt #: 190 total cpu time spent up to now is 93.2 secs Computing kpt #: 191 total cpu time spent up to now is 93.7 secs Computing kpt #: 192 total cpu time spent up to now is 94.3 secs Computing kpt #: 193 total cpu time spent up to now is 94.9 secs Computing kpt #: 194 total cpu time spent up to now is 95.4 secs Computing kpt #: 195 total cpu time spent up to now is 96.0 secs Computing kpt #: 196 total cpu time spent up to now is 96.5 secs Computing kpt #: 197 total cpu time spent up to now is 97.0 secs Computing kpt #: 198 total cpu time spent up to now is 97.5 secs Computing kpt #: 199 total cpu time spent up to now is 98.0 secs Computing kpt #: 200 total cpu time spent up to now is 98.5 secs Computing kpt #: 201 total cpu time spent up to now is 99.0 secs Computing kpt #: 202 total cpu time spent up to now is 99.4 secs Computing kpt #: 203 total cpu time spent up to now is 99.9 secs Computing kpt #: 204 total cpu time spent up to now is 100.4 secs Computing kpt #: 205 total cpu time spent up to now is 100.9 secs Computing kpt #: 206 total cpu time spent up to now is 101.5 secs Computing kpt #: 207 total cpu time spent up to now is 102.0 secs Computing kpt #: 208 total cpu time spent up to now is 102.5 secs Computing kpt #: 209 total cpu time spent up to now is 103.1 secs Computing kpt #: 210 total cpu time spent up to now is 103.6 secs Computing kpt #: 211 total cpu time spent up to now is 104.1 secs Computing kpt #: 212 total cpu time spent up to now is 104.6 secs Computing kpt #: 213 total cpu time spent up to now is 105.1 secs Computing kpt #: 214 total cpu time spent up to now is 105.6 secs Computing kpt #: 215 total cpu time spent up to now is 106.0 secs Computing kpt #: 216 total cpu time spent up to now is 106.5 secs Computing kpt #: 217 total cpu time spent up to now is 107.0 secs Computing kpt #: 218 total cpu time spent up to now is 107.4 secs Computing kpt #: 219 total cpu time spent up to now is 107.9 secs Computing kpt #: 220 total cpu time spent up to now is 108.3 secs Computing kpt #: 221 total cpu time spent up to now is 108.8 secs Computing kpt #: 222 total cpu time spent up to now is 109.2 secs Computing kpt #: 223 total cpu time spent up to now is 109.7 secs Computing kpt #: 224 total cpu time spent up to now is 110.1 secs Computing kpt #: 225 total cpu time spent up to now is 110.6 secs Computing kpt #: 226 total cpu time spent up to now is 111.1 secs Computing kpt #: 227 total cpu time spent up to now is 111.5 secs Computing kpt #: 228 total cpu time spent up to now is 112.1 secs Computing kpt #: 229 total cpu time spent up to now is 112.7 secs Computing kpt #: 230 total cpu time spent up to now is 113.2 secs Computing kpt #: 231 total cpu time spent up to now is 113.8 secs Computing kpt #: 232 total cpu time spent up to now is 114.3 secs Computing kpt #: 233 total cpu time spent up to now is 114.9 secs Computing kpt #: 234 total cpu time spent up to now is 115.5 secs Computing kpt #: 235 total cpu time spent up to now is 116.0 secs Computing kpt #: 236 total cpu time spent up to now is 116.6 secs Computing kpt #: 237 total cpu time spent up to now is 117.1 secs Computing kpt #: 238 total cpu time spent up to now is 117.7 secs Computing kpt #: 239 total cpu time spent up to now is 118.2 secs Computing kpt #: 240 total cpu time spent up to now is 118.7 secs Computing kpt #: 241 total cpu time spent up to now is 119.2 secs Computing kpt #: 242 total cpu time spent up to now is 119.6 secs Computing kpt #: 243 total cpu time spent up to now is 120.1 secs Computing kpt #: 244 total cpu time spent up to now is 120.5 secs Computing kpt #: 245 total cpu time spent up to now is 121.0 secs Computing kpt #: 246 total cpu time spent up to now is 121.4 secs Computing kpt #: 247 total cpu time spent up to now is 121.9 secs Computing kpt #: 248 total cpu time spent up to now is 122.3 secs Computing kpt #: 249 total cpu time spent up to now is 122.8 secs Computing kpt #: 250 total cpu time spent up to now is 123.2 secs Computing kpt #: 251 total cpu time spent up to now is 123.6 secs Computing kpt #: 252 total cpu time spent up to now is 124.1 secs Computing kpt #: 253 total cpu time spent up to now is 124.5 secs Computing kpt #: 254 total cpu time spent up to now is 124.9 secs Computing kpt #: 255 total cpu time spent up to now is 125.4 secs Computing kpt #: 256 total cpu time spent up to now is 125.8 secs Computing kpt #: 257 total cpu time spent up to now is 126.3 secs Computing kpt #: 258 total cpu time spent up to now is 126.7 secs Computing kpt #: 259 total cpu time spent up to now is 127.2 secs Computing kpt #: 260 total cpu time spent up to now is 127.7 secs Computing kpt #: 261 total cpu time spent up to now is 128.1 secs Computing kpt #: 262 total cpu time spent up to now is 128.6 secs Computing kpt #: 263 total cpu time spent up to now is 129.0 secs Computing kpt #: 264 total cpu time spent up to now is 129.5 secs Computing kpt #: 265 total cpu time spent up to now is 130.0 secs Computing kpt #: 266 total cpu time spent up to now is 130.4 secs Computing kpt #: 267 total cpu time spent up to now is 130.9 secs Computing kpt #: 268 total cpu time spent up to now is 131.4 secs Computing kpt #: 269 total cpu time spent up to now is 131.9 secs Computing kpt #: 270 total cpu time spent up to now is 132.4 secs Computing kpt #: 271 total cpu time spent up to now is 132.9 secs Computing kpt #: 272 total cpu time spent up to now is 133.3 secs Computing kpt #: 273 total cpu time spent up to now is 133.8 secs Computing kpt #: 274 total cpu time spent up to now is 134.3 secs Computing kpt #: 275 total cpu time spent up to now is 134.7 secs Computing kpt #: 276 total cpu time spent up to now is 135.2 secs Computing kpt #: 277 total cpu time spent up to now is 135.7 secs Computing kpt #: 278 total cpu time spent up to now is 136.1 secs Computing kpt #: 279 total cpu time spent up to now is 136.6 secs Computing kpt #: 280 total cpu time spent up to now is 137.1 secs Computing kpt #: 281 total cpu time spent up to now is 137.6 secs Computing kpt #: 282 total cpu time spent up to now is 138.2 secs Computing kpt #: 283 total cpu time spent up to now is 138.8 secs Computing kpt #: 284 total cpu time spent up to now is 139.3 secs Computing kpt #: 285 total cpu time spent up to now is 139.8 secs Computing kpt #: 286 total cpu time spent up to now is 140.3 secs Computing kpt #: 287 total cpu time spent up to now is 140.8 secs Computing kpt #: 288 total cpu time spent up to now is 141.2 secs Computing kpt #: 289 total cpu time spent up to now is 141.7 secs Computing kpt #: 290 total cpu time spent up to now is 142.2 secs Computing kpt #: 291 total cpu time spent up to now is 142.6 secs Computing kpt #: 292 total cpu time spent up to now is 143.1 secs Computing kpt #: 293 total cpu time spent up to now is 143.5 secs Computing kpt #: 294 total cpu time spent up to now is 144.0 secs Computing kpt #: 295 total cpu time spent up to now is 144.5 secs Computing kpt #: 296 total cpu time spent up to now is 144.9 secs Computing kpt #: 297 total cpu time spent up to now is 145.4 secs Computing kpt #: 298 total cpu time spent up to now is 145.8 secs Computing kpt #: 299 total cpu time spent up to now is 146.3 secs Computing kpt #: 300 total cpu time spent up to now is 146.7 secs Computing kpt #: 301 total cpu time spent up to now is 147.2 secs Computing kpt #: 302 total cpu time spent up to now is 147.7 secs Computing kpt #: 303 total cpu time spent up to now is 148.1 secs Computing kpt #: 304 total cpu time spent up to now is 148.6 secs Computing kpt #: 305 total cpu time spent up to now is 149.0 secs Computing kpt #: 306 total cpu time spent up to now is 149.5 secs Computing kpt #: 307 total cpu time spent up to now is 150.0 secs Computing kpt #: 308 total cpu time spent up to now is 150.4 secs Computing kpt #: 309 total cpu time spent up to now is 150.8 secs Computing kpt #: 310 total cpu time spent up to now is 151.3 secs Computing kpt #: 311 total cpu time spent up to now is 151.7 secs Computing kpt #: 312 total cpu time spent up to now is 152.1 secs Computing kpt #: 313 total cpu time spent up to now is 152.6 secs Computing kpt #: 314 total cpu time spent up to now is 153.0 secs Computing kpt #: 315 total cpu time spent up to now is 153.5 secs Computing kpt #: 316 total cpu time spent up to now is 153.9 secs Computing kpt #: 317 total cpu time spent up to now is 154.4 secs Computing kpt #: 318 total cpu time spent up to now is 154.8 secs Computing kpt #: 319 total cpu time spent up to now is 155.3 secs Computing kpt #: 320 total cpu time spent up to now is 155.7 secs Computing kpt #: 321 total cpu time spent up to now is 156.2 secs Computing kpt #: 322 total cpu time spent up to now is 156.7 secs Computing kpt #: 323 total cpu time spent up to now is 157.1 secs Computing kpt #: 324 total cpu time spent up to now is 157.6 secs Computing kpt #: 325 total cpu time spent up to now is 158.0 secs ethr = 2.78E-08, avg # of iterations = 18.3 total cpu time spent up to now is 158.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -5.8766 -5.8766 -5.8729 -5.8729 -5.2927 -5.2927 -5.0415 -5.0415 -4.9725 -4.9725 -4.8001 -4.8001 -3.4353 -3.4353 3.1523 3.1523 5.3292 5.3292 5.4400 5.4400 5.8327 5.8327 6.0588 6.0588 6.1353 6.1353 7.3982 7.3982 7.5373 7.5373 7.5953 7.5953 8.3976 8.3976 8.4023 8.4023 9.6094 9.6094 11.9726 11.9726 13.9128 13.9128 14.2106 14.2106 k = 0.0102-0.0163-0.0099 ( 2816 PWs) bands (ev): -5.8767 -5.8767 -5.8728 -5.8728 -5.2923 -5.2923 -5.0416 -5.0416 -4.9728 -4.9728 -4.7999 -4.7999 -3.4337 -3.4337 3.1533 3.1533 5.3288 5.3288 5.4394 5.4394 5.8326 5.8326 6.0579 6.0579 6.1350 6.1350 7.3937 7.3937 7.5319 7.5319 7.5931 7.5931 8.3944 8.3944 8.4001 8.4001 9.6203 9.6203 11.9794 11.9794 13.8950 13.8950 14.1679 14.1679 k = 0.0204-0.0326-0.0199 ( 2818 PWs) bands (ev): -5.8771 -5.8771 -5.8727 -5.8727 -5.2909 -5.2909 -5.0416 -5.0416 -4.9738 -4.9738 -4.7993 -4.7993 -3.4290 -3.4290 3.1564 3.1564 5.3278 5.3278 5.4378 5.4378 5.8323 5.8323 6.0553 6.0553 6.1343 6.1343 7.3789 7.3789 7.5172 7.5172 7.5868 7.5868 8.3820 8.3820 8.3967 8.3967 9.6525 9.6525 11.9995 11.9995 13.8392 13.8392 14.1281 14.1281 k = 0.0306-0.0489-0.0298 ( 2820 PWs) bands (ev): -5.8780 -5.8780 -5.8723 -5.8723 -5.2886 -5.2886 -5.0416 -5.0416 -4.9754 -4.9754 -4.7982 -4.7982 -3.4212 -3.4212 3.1614 3.1614 5.3260 5.3260 5.4351 5.4351 5.8318 5.8318 6.0509 6.0509 6.1331 6.1331 7.3503 7.3503 7.4976 7.4976 7.5770 7.5770 8.3611 8.3611 8.3921 8.3921 9.7042 9.7042 12.0324 12.0324 13.7530 13.7530 14.1189 14.1189 k = 0.0408-0.0652-0.0397 ( 2820 PWs) bands (ev): -5.8793 -5.8793 -5.8716 -5.8716 -5.2855 -5.2855 -5.0415 -5.0415 -4.9775 -4.9775 -4.7967 -4.7967 -3.4104 -3.4104 3.1684 3.1684 5.3233 5.3233 5.4314 5.4314 5.8312 5.8312 6.0447 6.0447 6.1314 6.1314 7.3047 7.3047 7.4786 7.4786 7.5633 7.5633 8.3336 8.3336 8.3861 8.3861 9.7730 9.7730 12.0768 12.0768 13.6526 13.6526 14.1304 14.1304 k = 0.0510-0.0815-0.0496 ( 2824 PWs) bands (ev): -5.8812 -5.8812 -5.8707 -5.8707 -5.2816 -5.2816 -5.0415 -5.0415 -4.9800 -4.9800 -4.7946 -4.7946 -3.3966 -3.3966 3.1772 3.1772 5.3195 5.3195 5.4268 5.4268 5.8305 5.8305 6.0366 6.0366 6.1292 6.1292 7.2430 7.2430 7.4620 7.4620 7.5449 7.5449 8.3014 8.3014 8.3785 8.3785 9.8564 9.8564 12.1312 12.1312 13.5480 13.5480 14.1550 14.1550 k = 0.0612-0.0978-0.0596 ( 2822 PWs) bands (ev): -5.8835 -5.8835 -5.8695 -5.8695 -5.2769 -5.2769 -5.0414 -5.0414 -4.9828 -4.9828 -4.7919 -4.7919 -3.3801 -3.3801 3.1879 3.1879 5.3146 5.3146 5.4213 5.4213 5.8298 5.8298 6.0264 6.0264 6.1267 6.1267 7.1689 7.1689 7.4464 7.4464 7.5212 7.5212 8.2669 8.2669 8.3694 8.3694 9.9516 9.9516 12.1934 12.1934 13.4447 13.4447 14.1890 14.1890 k = 0.0714-0.1141-0.0695 ( 2822 PWs) bands (ev): -5.8864 -5.8864 -5.8682 -5.8682 -5.2715 -5.2715 -5.0412 -5.0412 -4.9858 -4.9858 -4.7885 -4.7885 -3.3610 -3.3610 3.2003 3.2003 5.3082 5.3082 5.4151 5.4151 5.8291 5.8291 6.0142 6.0142 6.1236 6.1236 7.0863 7.0863 7.4292 7.4292 7.4925 7.4925 8.2325 8.2325 8.3589 8.3589 10.0563 10.0563 12.2608 12.2608 13.3463 13.3463 14.2308 14.2308 k = 0.0816-0.1304-0.0794 ( 2817 PWs) bands (ev): -5.8898 -5.8898 -5.8667 -5.8667 -5.2656 -5.2656 -5.0409 -5.0409 -4.9888 -4.9888 -4.7844 -4.7844 -3.3393 -3.3393 3.2143 3.2143 5.3002 5.3002 5.4084 5.4084 5.8284 5.8284 5.9996 5.9996 6.1200 6.1200 6.9983 6.9983 7.4051 7.4051 7.4621 7.4621 8.2005 8.2005 8.3471 8.3471 10.1684 10.1684 12.3294 12.3294 13.2568 13.2568 14.2796 14.2796 k = 0.0918-0.1467-0.0893 ( 2809 PWs) bands (ev): -5.8937 -5.8937 -5.8650 -5.8650 -5.2592 -5.2592 -5.0404 -5.0404 -4.9917 -4.9917 -4.7794 -4.7794 -3.3154 -3.3154 3.2297 3.2297 5.2901 5.2901 5.4012 5.4012 5.8277 5.8277 5.9826 5.9826 6.1160 6.1160 6.9073 6.9073 7.3665 7.3665 7.4368 7.4368 8.1726 8.1726 8.3341 8.3341 10.2861 10.2861 12.3932 12.3932 13.1814 13.1814 14.3347 14.3347 k = 0.1020-0.1630-0.0993 ( 2815 PWs) bands (ev): -5.8982 -5.8982 -5.8634 -5.8634 -5.2527 -5.2527 -5.0398 -5.0398 -4.9943 -4.9943 -4.7734 -4.7734 -3.2893 -3.2893 3.2465 3.2465 5.2778 5.2778 5.3937 5.3937 5.8268 5.8268 5.9628 5.9628 6.1113 6.1113 6.8156 6.8156 7.3126 7.3126 7.4176 7.4176 8.1498 8.1498 8.3201 8.3201 10.4081 10.4081 12.4432 12.4432 13.1287 13.1287 14.3956 14.3956 k = 0.1122-0.1793-0.1092 ( 2813 PWs) bands (ev): -5.9034 -5.9034 -5.8616 -5.8616 -5.2461 -5.2461 -5.0390 -5.0390 -4.9963 -4.9963 -4.7663 -4.7663 -3.2613 -3.2613 3.2642 3.2642 5.2630 5.2630 5.3860 5.3860 5.8256 5.8256 5.9401 5.9401 6.1060 6.1060 6.7247 6.7247 7.2478 7.2478 7.4011 7.4011 8.1325 8.1325 8.3051 8.3051 10.5328 10.5328 12.4681 12.4681 13.1091 13.1091 14.4619 14.4619 k = 0.1224-0.1956-0.1191 ( 2816 PWs) bands (ev): -5.9091 -5.9091 -5.8599 -5.8599 -5.2397 -5.2397 -5.0379 -5.0379 -4.9977 -4.9977 -4.7579 -4.7579 -3.2316 -3.2316 3.2828 3.2828 5.2456 5.2456 5.3781 5.3781 5.8232 5.8232 5.9146 5.9146 6.1000 6.1000 6.6361 6.6361 7.1756 7.1756 7.3852 7.3852 8.1202 8.1202 8.2892 8.2892 10.6593 10.6593 12.4607 12.4607 13.1293 13.1293 14.5332 14.5332 k = 0.1327-0.2119-0.1291 ( 2812 PWs) bands (ev): -5.9154 -5.9154 -5.8580 -5.8580 -5.2337 -5.2337 -5.0367 -5.0367 -4.9982 -4.9982 -4.7481 -4.7481 -3.2003 -3.2003 3.3019 3.3019 5.2255 5.2255 5.3700 5.3700 5.8180 5.8180 5.8877 5.8877 6.0933 6.0933 6.5510 6.5510 7.0990 7.0990 7.3693 7.3693 8.1125 8.1125 8.2727 8.2727 10.7865 10.7865 12.4243 12.4243 13.1852 13.1852 14.6090 14.6090 k = 0.1429-0.2282-0.1390 ( 2812 PWs) bands (ev): -5.9224 -5.9224 -5.8562 -5.8562 -5.2282 -5.2282 -5.0354 -5.0354 -4.9977 -4.9977 -4.7367 -4.7367 -3.1675 -3.1675 3.3212 3.3212 5.2027 5.2027 5.3614 5.3614 5.8048 5.8048 5.8637 5.8637 6.0859 6.0859 6.4702 6.4702 7.0206 7.0206 7.3532 7.3532 8.1085 8.1085 8.2555 8.2555 10.9132 10.9132 12.3688 12.3688 13.2663 13.2663 14.6889 14.6889 k = 0.1531-0.2445-0.1489 ( 2810 PWs) bands (ev): -5.9299 -5.9299 -5.8544 -5.8544 -5.2235 -5.2235 -5.0342 -5.0342 -4.9959 -4.9959 -4.7235 -4.7235 -3.1336 -3.1336 3.3401 3.3401 5.1772 5.1772 5.3523 5.3523 5.7769 5.7769 5.8491 5.8491 6.0777 6.0777 6.3941 6.3941 6.9431 6.9431 7.3367 7.3367 8.1073 8.1073 8.2379 8.2379 11.0385 11.0385 12.3032 12.3032 13.3631 13.3631 14.7724 14.7724 k = 0.1633-0.2608-0.1588 ( 2813 PWs) bands (ev): -5.9380 -5.9380 -5.8527 -5.8527 -5.2196 -5.2196 -5.0330 -5.0330 -4.9928 -4.9928 -4.7082 -4.7082 -3.0987 -3.0987 3.3584 3.3584 5.1489 5.1489 5.3425 5.3425 5.7366 5.7366 5.8415 5.8415 6.0686 6.0686 6.3230 6.3230 6.8691 6.8691 7.3199 7.3199 8.1082 8.1082 8.2198 8.2198 11.1611 11.1611 12.2335 12.2335 13.4693 13.4693 14.8591 14.8591 k = 0.1735-0.2771-0.1688 ( 2812 PWs) bands (ev): -5.9467 -5.9467 -5.8509 -5.8509 -5.2165 -5.2165 -5.0321 -5.0321 -4.9886 -4.9886 -4.6908 -4.6908 -3.0629 -3.0629 3.3753 3.3753 5.1178 5.1178 5.3320 5.3320 5.6892 5.6892 5.8356 5.8356 6.0582 6.0582 6.2569 6.2569 6.8009 6.8009 7.3029 7.3029 8.1105 8.1105 8.2015 8.2015 11.2793 11.2793 12.1638 12.1638 13.5806 13.5806 14.9485 14.9485 k = 0.1837-0.2934-0.1787 ( 2810 PWs) bands (ev): -5.9559 -5.9559 -5.8492 -5.8492 -5.2143 -5.2143 -5.0313 -5.0313 -4.9833 -4.9833 -4.6711 -4.6711 -3.0265 -3.0265 3.3904 3.3904 5.0839 5.0839 5.3205 5.3205 5.6378 5.6378 5.8283 5.8283 6.0455 6.0455 6.1973 6.1973 6.7403 6.7403 7.2856 7.2856 8.1135 8.1135 8.1832 8.1832 11.3908 11.3908 12.0976 12.0976 13.6944 13.6944 15.0399 15.0399 k = 0.1939-0.3097-0.1886 ( 2814 PWs) bands (ev): -5.9655 -5.9655 -5.8476 -5.8476 -5.2128 -5.2128 -5.0308 -5.0308 -4.9773 -4.9773 -4.6489 -4.6489 -2.9895 -2.9895 3.4029 3.4029 5.0473 5.0473 5.3079 5.3079 5.5844 5.5844 5.8173 5.8173 6.0280 6.0280 6.1478 6.1478 6.6886 6.6886 7.2683 7.2683 8.1161 8.1161 8.1654 8.1654 11.4913 11.4913 12.0392 12.0392 13.8086 13.8086 15.1327 15.1327 k = 0.2041-0.3260-0.1986 ( 2809 PWs) bands (ev): -5.9755 -5.9755 -5.8460 -5.8460 -5.2119 -5.2119 -5.0302 -5.0302 -4.9708 -4.9708 -4.6242 -4.6242 -2.9522 -2.9522 3.4121 3.4121 5.0080 5.0080 5.2940 5.2940 5.5304 5.5304 5.8000 5.8000 6.0033 6.0033 6.1134 6.1134 6.6459 6.6459 7.2509 7.2509 8.1163 8.1163 8.1499 8.1499 11.5724 11.5724 11.9969 11.9969 13.9213 13.9213 15.2261 15.2261 k = 0.2143-0.3423-0.2085 ( 2809 PWs) bands (ev): -5.9859 -5.9859 -5.8445 -5.8445 -5.2116 -5.2116 -5.0297 -5.0297 -4.9641 -4.9641 -4.5970 -4.5970 -2.9147 -2.9147 3.4172 3.4172 4.9661 4.9661 5.2785 5.2785 5.4770 5.4770 5.7743 5.7743 5.9747 5.9747 6.0945 6.0945 6.6120 6.6120 7.2335 7.2335 8.1095 8.1095 8.1409 8.1409 11.6200 11.6200 11.9842 11.9842 14.0310 14.0310 15.3186 15.3186 k = 0.2245-0.3586-0.2184 ( 2809 PWs) bands (ev): -5.9966 -5.9966 -5.8431 -5.8431 -5.2117 -5.2117 -5.0292 -5.0292 -4.9573 -4.9573 -4.5673 -4.5673 -2.8773 -2.8773 3.4175 3.4175 4.9217 4.9217 5.2609 5.2609 5.4250 5.4250 5.7402 5.7402 5.9491 5.9491 6.0860 6.0860 6.5858 6.5858 7.2163 7.2163 8.0947 8.0947 8.1391 8.1391 11.6239 11.6239 12.0107 12.0107 14.1360 14.1360 15.4053 15.4053 k = 0.2347-0.3749-0.2283 ( 2813 PWs) bands (ev): -6.0075 -6.0075 -5.8417 -5.8417 -5.2121 -5.2121 -5.0288 -5.0288 -4.9508 -4.9508 -4.5352 -4.5352 -2.8400 -2.8400 3.4124 3.4124 4.8749 4.8749 5.2400 5.2400 5.3755 5.3755 5.7016 5.7016 5.9294 5.9294 6.0836 6.0836 6.5662 6.5662 7.1993 7.1993 8.0766 8.0766 8.1397 8.1397 11.5942 11.5942 12.0651 12.0651 14.2347 14.2347 15.4228 15.4228 k = 0.2449-0.3912-0.2383 ( 2809 PWs) bands (ev): -6.0186 -6.0186 -5.8404 -5.8404 -5.2127 -5.2127 -5.0282 -5.0282 -4.9444 -4.9444 -4.5009 -4.5009 -2.8030 -2.8030 3.4013 3.4013 4.8254 4.8254 5.2142 5.2142 5.3304 5.3304 5.6642 5.6642 5.9146 5.9146 6.0853 6.0853 6.5521 6.5521 7.1826 7.1826 8.0573 8.0573 8.1401 8.1401 11.5479 11.5479 12.1296 12.1296 14.3254 14.3254 15.3046 15.3046 k = 0.2551-0.4075-0.2482 ( 2805 PWs) bands (ev): -6.0298 -6.0298 -5.8392 -5.8392 -5.2134 -5.2134 -5.0276 -5.0276 -4.9384 -4.9384 -4.4644 -4.4644 -2.7665 -2.7665 3.3840 3.3840 4.7729 4.7729 5.1818 5.1818 5.2916 5.2916 5.6325 5.6325 5.9031 5.9031 6.0901 6.0901 6.5425 6.5425 7.1663 7.1663 8.0375 8.0375 8.1395 8.1395 11.4945 11.4945 12.1933 12.1933 14.4066 14.4066 15.1718 15.1718 k = 0.2653-0.4238-0.2581 ( 2803 PWs) bands (ev): -6.0410 -6.0410 -5.8380 -5.8380 -5.2142 -5.2142 -5.0269 -5.0269 -4.9326 -4.9326 -4.4261 -4.4261 -2.7306 -2.7306 3.3603 3.3603 4.7169 4.7169 5.1429 5.1429 5.2600 5.2600 5.6096 5.6096 5.8935 5.8935 6.0972 6.0972 6.5366 6.5366 7.1505 7.1505 8.0176 8.0176 8.1374 8.1374 11.4385 11.4385 12.2506 12.2506 14.4772 14.4772 15.0434 15.0434 k = 0.2755-0.4401-0.2680 ( 2803 PWs) bands (ev): -6.0523 -6.0523 -5.8369 -5.8369 -5.2151 -5.2151 -5.0262 -5.0262 -4.9272 -4.9272 -4.3860 -4.3860 -2.6956 -2.6956 3.3304 3.3304 4.6569 4.6569 5.1006 5.1006 5.2337 5.2337 5.5970 5.5970 5.8853 5.8853 6.1063 6.1063 6.5336 6.5336 7.1351 7.1351 7.9975 7.9975 8.1335 8.1335 11.3817 11.3817 12.2983 12.2983 14.5359 14.5359 14.9243 14.9243 k = 0.2857-0.4564-0.2780 ( 2803 PWs) bands (ev): -6.0634 -6.0634 -5.8358 -5.8358 -5.2160 -5.2160 -5.0255 -5.0255 -4.9222 -4.9222 -4.3445 -4.3445 -2.6614 -2.6614 3.2949 3.2949 4.5926 4.5926 5.0583 5.0583 5.2106 5.2106 5.5949 5.5949 5.8779 5.8779 6.1171 6.1171 6.5329 6.5329 7.1203 7.1203 7.9775 7.9775 8.1275 8.1275 11.3253 11.3253 12.3344 12.3344 14.5817 14.5817 14.8179 14.8179 k = 0.2959-0.4727-0.2879 ( 2801 PWs) bands (ev): -6.0744 -6.0744 -5.8348 -5.8348 -5.2168 -5.2168 -5.0247 -5.0247 -4.9174 -4.9174 -4.3018 -4.3018 -2.6284 -2.6284 3.2543 3.2543 4.5243 4.5243 5.0183 5.0183 5.1890 5.1890 5.6029 5.6029 5.8715 5.8715 6.1293 6.1293 6.5341 6.5341 7.1061 7.1061 7.9576 7.9576 8.1192 8.1192 11.2696 11.2696 12.3577 12.3577 14.6101 14.6101 14.7309 14.7309 k = 0.3061-0.4889-0.2978 ( 2797 PWs) bands (ev): -6.0852 -6.0852 -5.8339 -5.8339 -5.2177 -5.2177 -5.0238 -5.0238 -4.9130 -4.9130 -4.2581 -4.2581 -2.5967 -2.5967 3.2095 3.2095 4.4527 4.4527 4.9817 4.9817 5.1683 5.1683 5.6202 5.6202 5.8659 5.8659 6.1427 6.1427 6.5367 6.5367 7.0925 7.0925 7.9378 7.9378 8.1084 8.1084 11.2149 11.2149 12.3676 12.3676 14.5978 14.5978 14.6887 14.6887 k = 0.3163-0.5052-0.3078 ( 2800 PWs) bands (ev): -6.0958 -6.0958 -5.8331 -5.8331 -5.2185 -5.2185 -5.0229 -5.0229 -4.9089 -4.9089 -4.2137 -4.2137 -2.5663 -2.5663 3.1614 3.1614 4.3787 4.3787 4.9486 4.9486 5.1482 5.1482 5.6455 5.6455 5.8616 5.8616 6.1573 6.1573 6.5405 6.5405 7.0796 7.0796 7.9183 7.9183 8.0949 8.0949 11.1613 11.1613 12.3641 12.3641 14.5455 14.5455 14.6921 14.6921 k = 0.3265-0.5215-0.3177 ( 2792 PWs) bands (ev): -6.1060 -6.1060 -5.8323 -5.8323 -5.2193 -5.2193 -5.0219 -5.0219 -4.9049 -4.9049 -4.1688 -4.1688 -2.5375 -2.5375 3.1109 3.1109 4.3034 4.3034 4.9188 4.9188 5.1287 5.1287 5.6774 5.6774 5.8591 5.8591 6.1730 6.1730 6.5453 6.5453 7.0675 7.0675 7.8991 7.8991 8.0784 8.0784 11.1090 11.1090 12.3481 12.3481 14.4941 14.4941 14.7012 14.7012 k = 0.3367-0.5378-0.3276 ( 2802 PWs) bands (ev): -6.1160 -6.1160 -5.8316 -5.8316 -5.2200 -5.2200 -5.0211 -5.0211 -4.9013 -4.9013 -4.1237 -4.1237 -2.5103 -2.5103 3.0589 3.0589 4.2279 4.2279 4.8919 4.8919 5.1097 5.1097 5.7129 5.7129 5.8599 5.8599 6.1897 6.1897 6.5507 6.5507 7.0560 7.0560 7.8802 7.8802 8.0587 8.0587 11.0579 11.0579 12.3209 12.3209 14.4526 14.4526 14.7076 14.7076 k = 0.3469-0.5541-0.3375 ( 2798 PWs) bands (ev): -6.1255 -6.1255 -5.8309 -5.8309 -5.2207 -5.2207 -5.0201 -5.0201 -4.8979 -4.8979 -4.0788 -4.0788 -2.4848 -2.4848 3.0064 3.0064 4.1533 4.1533 4.8675 4.8675 5.0913 5.0913 5.7477 5.7477 5.8676 5.8676 6.2078 6.2078 6.5566 6.5566 7.0453 7.0453 7.8618 7.8618 8.0358 8.0358 11.0081 11.0081 12.2846 12.2846 14.4214 14.4214 14.7104 14.7104 k = 0.3571-0.5704-0.3475 ( 2799 PWs) bands (ev): -6.1346 -6.1346 -5.8303 -5.8303 -5.2213 -5.2213 -5.0192 -5.0192 -4.8948 -4.8948 -4.0343 -4.0343 -2.4612 -2.4612 2.9541 2.9541 4.0802 4.0802 4.8453 4.8453 5.0736 5.0736 5.7742 5.7742 5.8882 5.8882 6.2274 6.2274 6.5628 6.5628 7.0354 7.0354 7.8438 7.8438 8.0095 8.0095 10.9597 10.9597 12.2412 12.2412 14.3994 14.3994 14.7102 14.7102 k = 0.3673-0.5867-0.3574 ( 2802 PWs) bands (ev): -6.1432 -6.1432 -5.8298 -5.8298 -5.2220 -5.2220 -5.0183 -5.0183 -4.8919 -4.8919 -3.9905 -3.9905 -2.4395 -2.4395 2.9027 2.9027 4.0095 4.0095 4.8250 4.8250 5.0566 5.0566 5.7881 5.7881 5.9244 5.9244 6.2492 6.2492 6.5692 6.5692 7.0262 7.0262 7.8265 7.8265 7.9797 7.9797 10.9128 10.9128 12.1932 12.1932 14.3853 14.3853 14.7073 14.7073 k = 0.3776-0.6030-0.3673 ( 2805 PWs) bands (ev): -6.1513 -6.1513 -5.8293 -5.8293 -5.2225 -5.2225 -5.0174 -5.0174 -4.8892 -4.8892 -3.9478 -3.9478 -2.4198 -2.4198 2.8530 2.8530 3.9418 3.9418 4.8064 4.8064 5.0406 5.0406 5.7932 5.7932 5.9706 5.9706 6.2741 6.2741 6.5756 6.5756 7.0178 7.0178 7.8098 7.8098 7.9462 7.9462 10.8675 10.8675 12.1425 12.1425 14.3776 14.3776 14.7023 14.7023 k = 0.3878-0.6193-0.3773 ( 2807 PWs) bands (ev): -6.1588 -6.1588 -5.8288 -5.8288 -5.2230 -5.2230 -5.0165 -5.0165 -4.8868 -4.8868 -3.9065 -3.9065 -2.4021 -2.4021 2.8054 2.8054 3.8777 3.8777 4.7895 4.7895 5.0255 5.0255 5.7942 5.7942 6.0199 6.0199 6.3035 6.3035 6.5821 6.5821 7.0102 7.0102 7.7938 7.7938 7.9092 7.9092 10.8241 10.8241 12.0912 12.0912 14.3750 14.3750 14.6953 14.6953 k = 0.3980-0.6356-0.3872 ( 2811 PWs) bands (ev): -6.1658 -6.1658 -5.8284 -5.8284 -5.2235 -5.2235 -5.0157 -5.0157 -4.8845 -4.8845 -3.8671 -3.8671 -2.3864 -2.3864 2.7606 2.7606 3.8176 3.8176 4.7742 4.7742 5.0114 5.0114 5.7934 5.7934 6.0672 6.0672 6.3390 6.3390 6.5885 6.5885 7.0034 7.0034 7.7784 7.7784 7.8689 7.8689 10.7827 10.7827 12.0407 12.0407 14.3764 14.3764 14.6868 14.6868 k = 0.4082-0.6519-0.3971 ( 2811 PWs) bands (ev): -6.1722 -6.1722 -5.8281 -5.8281 -5.2239 -5.2239 -5.0149 -5.0149 -4.8825 -4.8825 -3.8297 -3.8297 -2.3726 -2.3726 2.7190 2.7190 3.7619 3.7619 4.7603 4.7603 4.9984 4.9984 5.7919 5.7919 6.1091 6.1091 6.3820 6.3820 6.5949 6.5949 6.9972 6.9972 7.7633 7.7633 7.8258 7.8258 10.7437 10.7437 11.9926 11.9926 14.3810 14.3810 14.6769 14.6769 k = 0.4184-0.6682-0.4070 ( 2812 PWs) bands (ev): -6.1780 -6.1780 -5.8277 -5.8277 -5.2243 -5.2243 -5.0141 -5.0141 -4.8807 -4.8807 -3.7950 -3.7950 -2.3607 -2.3607 2.6809 2.6809 3.7111 3.7111 4.7480 4.7480 4.9867 4.9867 5.7901 5.7901 6.1439 6.1439 6.4325 6.4325 6.6017 6.6017 6.9918 6.9918 7.7462 7.7462 7.7827 7.7827 10.7075 10.7075 11.9478 11.9478 14.3880 14.3880 14.6658 14.6658 k = 0.4286-0.6845-0.4170 ( 2815 PWs) bands (ev): -6.1832 -6.1832 -5.8275 -5.8275 -5.2246 -5.2246 -5.0135 -5.0135 -4.8791 -4.8791 -3.7631 -3.7631 -2.3506 -2.3506 2.6466 2.6466 3.6654 3.6654 4.7370 4.7370 4.9761 4.9761 5.7882 5.7882 6.1714 6.1714 6.4881 6.4881 6.6098 6.6098 6.9871 6.9871 7.7153 7.7153 7.7518 7.7518 10.6744 10.6744 11.9072 11.9072 14.3967 14.3967 14.6539 14.6539 k = 0.4388-0.7008-0.4269 ( 2816 PWs) bands (ev): -6.1877 -6.1877 -5.8273 -5.8273 -5.2249 -5.2249 -5.0129 -5.0129 -4.8777 -4.8777 -3.7346 -3.7346 -2.3423 -2.3423 2.6164 2.6164 3.6252 3.6252 4.7275 4.7275 4.9669 4.9669 5.7864 5.7864 6.1928 6.1928 6.5426 6.5426 6.6230 6.6230 6.9830 6.9830 7.6679 7.6679 7.7368 7.7368 10.6447 10.6447 11.8712 11.8712 14.4067 14.4067 14.6414 14.6414 k = 0.4490-0.7171-0.4368 ( 2820 PWs) bands (ev): -6.1915 -6.1915 -5.8271 -5.8271 -5.2252 -5.2252 -5.0124 -5.0124 -4.8765 -4.8765 -3.7097 -3.7097 -2.3355 -2.3355 2.5906 2.5906 3.5906 3.5906 4.7195 4.7195 4.9590 4.9590 5.7848 5.7848 6.2091 6.2091 6.5809 6.5809 6.6535 6.6535 6.9795 6.9795 7.6163 7.6163 7.7266 7.7266 10.6189 10.6189 11.8403 11.8403 14.4174 14.4174 14.6287 14.6287 k = 0.4592-0.7334-0.4467 ( 2816 PWs) bands (ev): -6.1946 -6.1946 -5.8269 -5.8269 -5.2253 -5.2253 -5.0119 -5.0119 -4.8755 -4.8755 -3.6888 -3.6888 -2.3302 -2.3302 2.5693 2.5693 3.5621 3.5621 4.7129 4.7129 4.9525 4.9525 5.7835 5.7835 6.2216 6.2216 6.5968 6.5968 6.7043 6.7043 6.9765 6.9765 7.5648 7.5648 7.7187 7.7187 10.5972 10.5972 11.8148 11.8148 14.4283 14.4283 14.6163 14.6163 k = 0.4694-0.7497-0.4567 ( 2820 PWs) bands (ev): -6.1971 -6.1971 -5.8268 -5.8268 -5.2255 -5.2255 -5.0116 -5.0116 -4.8748 -4.8748 -3.6722 -3.6722 -2.3262 -2.3262 2.5525 2.5525 3.5397 3.5397 4.7078 4.7078 4.9473 4.9473 5.7824 5.7824 6.2307 6.2307 6.6036 6.6036 6.7586 6.7586 6.9740 6.9740 7.5165 7.5165 7.7126 7.7126 10.5800 10.5800 11.7949 11.7949 14.4385 14.4385 14.6049 14.6049 k = 0.4796-0.7660-0.4666 ( 2816 PWs) bands (ev): -6.1989 -6.1989 -5.8267 -5.8267 -5.2256 -5.2256 -5.0113 -5.0113 -4.8743 -4.8743 -3.6602 -3.6602 -2.3235 -2.3235 2.5406 2.5406 3.5236 3.5236 4.7041 4.7041 4.9437 4.9437 5.7817 5.7817 6.2370 6.2370 6.6071 6.6071 6.8058 6.8058 6.9717 6.9717 7.4756 7.4756 7.7083 7.7083 10.5676 10.5676 11.7806 11.7806 14.4472 14.4472 14.5953 14.5953 k = 0.4898-0.7823-0.4765 ( 2812 PWs) bands (ev): -6.1999 -6.1999 -5.8266 -5.8266 -5.2256 -5.2256 -5.0112 -5.0112 -4.8739 -4.8739 -3.6529 -3.6529 -2.3218 -2.3218 2.5333 2.5333 3.5138 3.5138 4.7020 4.7020 4.9415 4.9415 5.7812 5.7812 6.2407 6.2407 6.6090 6.6090 6.8387 6.8387 6.9700 6.9700 7.4474 7.4474 7.7057 7.7057 10.5601 10.5601 11.7720 11.7720 14.4532 14.4532 14.5888 14.5888 k = 0.5000-0.7986-0.4865 ( 2812 PWs) bands (ev): -6.2003 -6.2003 -5.8266 -5.8266 -5.2256 -5.2256 -5.0111 -5.0111 -4.8738 -4.8738 -3.6504 -3.6504 -2.3213 -2.3213 2.5309 2.5309 3.5106 3.5106 4.7012 4.7012 4.9407 4.9407 5.7811 5.7811 6.2419 6.2419 6.6096 6.6096 6.8507 6.8507 6.9693 6.9693 7.4372 7.4372 7.7048 7.7048 10.5575 10.5575 11.7691 11.7691 14.4554 14.4554 14.5865 14.5865 k = 0.5000-0.7986-0.4865 ( 2812 PWs) bands (ev): -6.2003 -6.2003 -5.8266 -5.8266 -5.2256 -5.2256 -5.0111 -5.0111 -4.8738 -4.8738 -3.6504 -3.6504 -2.3213 -2.3213 2.5309 2.5309 3.5106 3.5106 4.7012 4.7012 4.9407 4.9407 5.7811 5.7811 6.2419 6.2419 6.6096 6.6096 6.8507 6.8507 6.9693 6.9693 7.4372 7.4372 7.7048 7.7048 10.5575 10.5575 11.7691 11.7691 14.4554 14.4554 14.5865 14.5865 k = 0.5000-0.7877-0.5044 ( 2812 PWs) bands (ev): -6.2000 -6.2000 -5.8269 -5.8269 -5.2256 -5.2256 -5.0117 -5.0117 -4.8739 -4.8739 -3.6486 -3.6486 -2.3216 -2.3216 2.5305 2.5305 3.5116 3.5116 4.7021 4.7021 4.9407 4.9407 5.7804 5.7804 6.2405 6.2405 6.6072 6.6072 6.8302 6.8302 6.9895 6.9895 7.4305 7.4305 7.7061 7.7061 10.5652 10.5652 11.7754 11.7754 14.4529 14.4529 14.5879 14.5879 k = 0.5000-0.7768-0.5223 ( 2812 PWs) bands (ev): -6.1991 -6.1991 -5.8277 -5.8277 -5.2256 -5.2256 -5.0135 -5.0135 -4.8744 -4.8744 -3.6429 -3.6429 -2.3225 -2.3225 2.5293 2.5293 3.5147 3.5147 4.7049 4.7049 4.9407 4.9407 5.7785 5.7785 6.2362 6.2362 6.5994 6.5994 6.7897 6.7897 7.0304 7.0304 7.4108 7.4108 7.7098 7.7098 10.5882 10.5882 11.7939 11.7939 14.4456 14.4456 14.5921 14.5921 k = 0.5000-0.7658-0.5403 ( 2816 PWs) bands (ev): -6.1976 -6.1976 -5.8292 -5.8292 -5.2257 -5.2257 -5.0164 -5.0164 -4.8751 -4.8751 -3.6335 -3.6335 -2.3240 -2.3240 2.5272 2.5272 3.5198 3.5198 4.7094 4.7094 4.9406 4.9406 5.7751 5.7751 6.2290 6.2290 6.5838 6.5838 6.7482 6.7482 7.0759 7.0759 7.3795 7.3795 7.7149 7.7149 10.6260 10.6260 11.8242 11.8242 14.4335 14.4335 14.5991 14.5991 k = 0.5000-0.7549-0.5582 ( 2820 PWs) bands (ev): -6.1956 -6.1956 -5.8313 -5.8313 -5.2256 -5.2256 -5.0205 -5.0205 -4.8761 -4.8761 -3.6205 -3.6205 -2.3261 -2.3261 2.5244 2.5244 3.5269 3.5269 4.7157 4.7157 4.9403 4.9403 5.7702 5.7702 6.2184 6.2184 6.5575 6.5575 6.7140 6.7140 7.1215 7.1215 7.3381 7.3381 7.7207 7.7207 10.6777 10.6777 11.8653 11.8653 14.4165 14.4165 14.6088 14.6088 k = 0.5000-0.7440-0.5761 ( 2820 PWs) bands (ev): -6.1929 -6.1929 -5.8339 -5.8339 -5.2256 -5.2256 -5.0255 -5.0255 -4.8772 -4.8772 -3.6041 -3.6041 -2.3288 -2.3288 2.5207 2.5207 3.5361 3.5361 4.7238 4.7238 4.9397 4.9397 5.7635 5.7635 6.2042 6.2042 6.5202 6.5202 6.6903 6.6903 7.1661 7.1661 7.2883 7.2883 7.7267 7.7267 10.7425 10.7425 11.9162 11.9162 14.3948 14.3948 14.6214 14.6214 k = 0.5000-0.7331-0.5941 ( 2814 PWs) bands (ev): -6.1897 -6.1897 -5.8370 -5.8370 -5.2256 -5.2256 -5.0314 -5.0314 -4.8784 -4.8784 -3.5844 -3.5844 -2.3322 -2.3322 2.5162 2.5162 3.5472 3.5472 4.7335 4.7335 4.9386 4.9386 5.7548 5.7548 6.1856 6.1856 6.4761 6.4761 6.6751 6.6751 7.2090 7.2090 7.2319 7.2319 7.7325 7.7325 10.8190 10.8190 11.9753 11.9753 14.3684 14.3684 14.6370 14.6370 k = 0.5000-0.7221-0.6120 ( 2814 PWs) bands (ev): -6.1860 -6.1860 -5.8408 -5.8408 -5.2255 -5.2255 -5.0382 -5.0382 -4.8796 -4.8796 -3.5616 -3.5616 -2.3363 -2.3363 2.5109 2.5109 3.5602 3.5602 4.7447 4.7447 4.9367 4.9367 5.7435 5.7435 6.1621 6.1621 6.4306 6.4306 6.6649 6.6649 7.1691 7.1691 7.2514 7.2514 7.7382 7.7382 10.9059 10.9059 12.0411 12.0411 14.3377 14.3377 14.6556 14.6556 k = 0.5000-0.7112-0.6299 ( 2814 PWs) bands (ev): -6.1817 -6.1817 -5.8451 -5.8451 -5.2254 -5.2254 -5.0457 -5.0457 -4.8809 -4.8809 -3.5360 -3.5360 -2.3411 -2.3411 2.5048 2.5048 3.5752 3.5752 4.7573 4.7573 4.9338 4.9338 5.7296 5.7296 6.1333 6.1333 6.3876 6.3876 6.6575 6.6575 7.1029 7.1029 7.2918 7.2918 7.7435 7.7435 11.0017 11.0017 12.1118 12.1118 14.3030 14.3030 14.6773 14.6773 k = 0.5000-0.7003-0.6479 ( 2814 PWs) bands (ev): -6.1769 -6.1769 -5.8500 -5.8500 -5.2253 -5.2253 -5.0538 -5.0538 -4.8821 -4.8821 -3.5077 -3.5077 -2.3467 -2.3467 2.4980 2.4980 3.5920 3.5920 4.7712 4.7712 4.9295 4.9295 5.7126 5.7126 6.0996 6.0996 6.3492 6.3492 6.6518 6.6518 7.0341 7.0341 7.3309 7.3309 7.7488 7.7488 11.1049 11.1049 12.1856 12.1856 14.2648 14.2648 14.7023 14.7023 k = 0.5000-0.6894-0.6658 ( 2816 PWs) bands (ev): -6.1717 -6.1717 -5.8554 -5.8554 -5.2251 -5.2251 -5.0622 -5.0622 -4.8833 -4.8833 -3.4770 -3.4770 -2.3532 -2.3532 2.4904 2.4904 3.6107 3.6107 4.7861 4.7861 4.9233 4.9233 5.6925 5.6925 6.0620 6.0620 6.3158 6.3158 6.6471 6.6471 6.9644 6.9644 7.3689 7.3689 7.7539 7.7539 11.2137 11.2137 12.2607 12.2607 14.2240 14.2240 14.7305 14.7305 k = 0.5000-0.6784-0.6837 ( 2814 PWs) bands (ev): -6.1660 -6.1660 -5.8614 -5.8614 -5.2249 -5.2249 -5.0709 -5.0709 -4.8844 -4.8844 -3.4441 -3.4441 -2.3605 -2.3605 2.4821 2.4821 3.6311 3.6311 4.8016 4.8016 4.9150 4.9150 5.6695 5.6695 6.0223 6.0223 6.2870 6.2870 6.6431 6.6431 6.8953 6.8953 7.4058 7.4058 7.7591 7.7591 11.3266 11.3266 12.3349 12.3349 14.1816 14.1816 14.7617 14.7617 k = 0.5000-0.6675-0.7017 ( 2810 PWs) bands (ev): -6.1598 -6.1598 -5.8679 -5.8679 -5.2246 -5.2246 -5.0797 -5.0797 -4.8854 -4.8854 -3.4093 -3.4093 -2.3688 -2.3688 2.4731 2.4731 3.6532 3.6532 4.8172 4.8172 4.9042 4.9042 5.6442 5.6442 5.9816 5.9816 6.2617 6.2617 6.6395 6.6395 6.8284 6.8284 7.4416 7.4416 7.7643 7.7643 11.4415 11.4415 12.4064 12.4064 14.1390 14.1390 14.7956 14.7956 k = 0.5000-0.6566-0.7196 ( 2810 PWs) bands (ev): -6.1533 -6.1533 -5.8749 -5.8749 -5.2242 -5.2242 -5.0886 -5.0886 -4.8864 -4.8864 -3.3727 -3.3727 -2.3782 -2.3782 2.4635 2.4635 3.6769 3.6769 4.8312 4.8312 4.8916 4.8916 5.6176 5.6176 5.9410 5.9410 6.2391 6.2391 6.6360 6.6360 6.7653 6.7653 7.4765 7.4765 7.7696 7.7696 11.5566 11.5566 12.4731 12.4731 14.0976 14.0976 14.8312 14.8312 k = 0.5000-0.6457-0.7376 ( 2810 PWs) bands (ev): -6.1464 -6.1464 -5.8824 -5.8824 -5.2238 -5.2238 -5.0973 -5.0973 -4.8872 -4.8872 -3.3346 -3.3346 -2.3886 -2.3886 2.4533 2.4533 3.7021 3.7021 4.8386 4.8386 4.8815 4.8815 5.5908 5.5908 5.9008 5.9008 6.2185 6.2185 6.6319 6.6319 6.7082 6.7082 7.5103 7.5103 7.7750 7.7750 11.6695 11.6695 12.5331 12.5331 14.0594 14.0594 14.8670 14.8670 k = 0.5000-0.6347-0.7555 ( 2808 PWs) bands (ev): -6.1391 -6.1391 -5.8904 -5.8904 -5.2232 -5.2232 -5.1059 -5.1059 -4.8880 -4.8880 -3.2952 -3.2952 -2.4003 -2.4003 2.4426 2.4426 3.7287 3.7287 4.8289 4.8289 4.8834 4.8834 5.5649 5.5649 5.8616 5.8616 6.1996 6.1996 6.6229 6.6229 6.6623 6.6623 7.5431 7.5431 7.7807 7.7807 11.7778 11.7778 12.5846 12.5846 14.0265 14.0265 14.9006 14.9006 k = 0.5000-0.6238-0.7734 ( 2802 PWs) bands (ev): -6.1315 -6.1315 -5.8987 -5.8987 -5.2225 -5.2225 -5.1141 -5.1141 -4.8886 -4.8886 -3.2546 -3.2546 -2.4132 -2.4132 2.4315 2.4315 3.7566 3.7566 4.8054 4.8054 4.8935 4.8935 5.5405 5.5405 5.8239 5.8239 6.1821 6.1821 6.5948 6.5948 6.6423 6.6423 7.5747 7.5747 7.7866 7.7866 11.8789 11.8789 12.6259 12.6259 14.0012 14.0012 14.9285 14.9285 k = 0.5000-0.6129-0.7914 ( 2802 PWs) bands (ev): -6.1237 -6.1237 -5.9073 -5.9073 -5.2217 -5.2217 -5.1220 -5.1220 -4.8893 -4.8893 -3.2131 -3.2131 -2.4274 -2.4274 2.4202 2.4202 3.7857 3.7857 4.7752 4.7752 4.9037 4.9037 5.5180 5.5180 5.7891 5.7891 6.1658 6.1658 6.5587 6.5587 6.6376 6.6376 7.6052 7.6052 7.7927 7.7927 11.9700 11.9700 12.6557 12.6557 13.9861 13.9861 14.9466 14.9466 k = 0.5000-0.6020-0.8093 ( 2794 PWs) bands (ev): -6.1156 -6.1156 -5.9163 -5.9163 -5.2207 -5.2207 -5.1295 -5.1295 -4.8898 -4.8898 -3.1709 -3.1709 -2.4431 -2.4431 2.4087 2.4087 3.8157 3.8157 4.7408 4.7408 4.9108 4.9108 5.4972 5.4972 5.7589 5.7589 6.1508 6.1508 6.5264 6.5264 6.6362 6.6362 7.6344 7.6344 7.7991 7.7991 12.0484 12.0484 12.6728 12.6728 13.9836 13.9836 14.9519 14.9519 k = 0.5000-0.5910-0.8272 ( 2800 PWs) bands (ev): -6.1074 -6.1074 -5.9255 -5.9255 -5.2197 -5.2197 -5.1366 -5.1366 -4.8903 -4.8903 -3.1282 -3.1282 -2.4603 -2.4603 2.3971 2.3971 3.8465 3.8465 4.7035 4.7035 4.9128 4.9128 5.4784 5.4784 5.7352 5.7352 6.1369 6.1369 6.4996 6.4996 6.6361 6.6361 7.6621 7.6621 7.8057 7.8057 12.1118 12.1118 12.6767 12.6767 13.9955 13.9955 14.9437 14.9437 k = 0.5000-0.5801-0.8452 ( 2804 PWs) bands (ev): -6.0990 -6.0990 -5.9349 -5.9349 -5.2186 -5.2186 -5.1432 -5.1432 -4.8907 -4.8907 -3.0852 -3.0852 -2.4791 -2.4791 2.3858 2.3858 3.8779 3.8779 4.6644 4.6644 4.9078 4.9078 5.4624 5.4624 5.7192 5.7192 6.1241 6.1241 6.4782 6.4782 6.6368 6.6368 7.6883 7.6883 7.8126 7.8126 12.1587 12.1587 12.6670 12.6670 14.0230 14.0230 14.9246 14.9246 k = 0.5000-0.5692-0.8631 ( 2800 PWs) bands (ev): -6.0905 -6.0905 -5.9444 -5.9444 -5.2173 -5.2173 -5.1492 -5.1492 -4.8910 -4.8910 -3.0420 -3.0420 -2.4996 -2.4996 2.3747 2.3747 3.9094 3.9094 4.6245 4.6245 4.8944 4.8944 5.4507 5.4507 5.7112 5.7112 6.1125 6.1125 6.4618 6.4618 6.6384 6.6384 7.7127 7.7127 7.8199 7.8199 12.1887 12.1887 12.6441 12.6441 14.0659 14.0659 14.8990 14.8990 k = 0.5000-0.5583-0.8810 ( 2802 PWs) bands (ev): -6.0819 -6.0819 -5.9540 -5.9540 -5.2159 -5.2159 -5.1548 -5.1548 -4.8913 -4.8913 -2.9989 -2.9989 -2.5218 -2.5218 2.3642 2.3642 3.9407 3.9407 4.5846 4.5846 4.8723 4.8723 5.4447 5.4447 5.7108 5.7108 6.1020 6.1020 6.4496 6.4496 6.6408 6.6408 7.7352 7.7352 7.8273 7.8273 12.2024 12.2024 12.6085 12.6085 14.1228 14.1228 14.8708 14.8708 k = 0.5000-0.5473-0.8990 ( 2802 PWs) bands (ev): -6.0734 -6.0734 -5.9634 -5.9634 -5.2145 -5.2145 -5.1597 -5.1597 -4.8915 -4.8915 -2.9560 -2.9560 -2.5459 -2.5459 2.3545 2.3545 3.9713 3.9713 4.5454 4.5454 4.8422 4.8422 5.4450 5.4450 5.7168 5.7168 6.0926 6.0926 6.4410 6.4410 6.6440 6.6440 7.7556 7.7556 7.8350 7.8350 12.2018 12.2018 12.5614 12.5614 14.1912 14.1912 14.8430 14.8430 k = 0.5000-0.5364-0.9169 ( 2800 PWs) bands (ev): -6.0650 -6.0650 -5.9727 -5.9727 -5.2130 -5.2130 -5.1641 -5.1641 -4.8916 -4.8916 -2.9135 -2.9135 -2.5718 -2.5718 2.3457 2.3457 4.0005 4.0005 4.5075 4.5075 4.8062 4.8062 5.4516 5.4516 5.7280 5.7280 6.0846 6.0846 6.4357 6.4357 6.6482 6.6482 7.7739 7.7739 7.8429 7.8429 12.1890 12.1890 12.5040 12.5040 14.2676 14.2676 14.8174 14.8174 k = 0.5000-0.5255-0.9348 ( 2798 PWs) bands (ev): -6.0568 -6.0568 -5.9817 -5.9817 -5.2116 -5.2116 -5.1678 -5.1678 -4.8917 -4.8917 -2.8716 -2.8716 -2.5996 -2.5996 2.3381 2.3381 4.0273 4.0273 4.4715 4.4715 4.7671 4.7671 5.4634 5.4634 5.7434 5.7434 6.0782 6.0782 6.4331 6.4331 6.6535 6.6535 7.7897 7.7897 7.8508 7.8508 12.1667 12.1667 12.4378 12.4378 14.3485 14.3485 14.7948 14.7948 k = 0.5000-0.5146-0.9528 ( 2792 PWs) bands (ev): -6.0490 -6.0490 -5.9900 -5.9900 -5.2104 -5.2104 -5.1707 -5.1707 -4.8918 -4.8918 -2.8306 -2.8306 -2.6294 -2.6294 2.3320 2.3320 4.0505 4.0505 4.4378 4.4378 4.7278 4.7278 5.4792 5.4792 5.7620 5.7620 6.0737 6.0737 6.4328 6.4328 6.6599 6.6599 7.8032 7.8032 7.8586 7.8586 12.1371 12.1371 12.3646 12.3646 14.4300 14.4300 14.7755 14.7755 k = 0.5000-0.5036-0.9707 ( 2788 PWs) bands (ev): -6.0422 -6.0422 -5.9973 -5.9973 -5.2094 -5.2094 -5.1728 -5.1728 -4.8919 -4.8919 -2.7907 -2.7907 -2.6610 -2.6610 2.3275 2.3275 4.0686 4.0686 4.4069 4.4069 4.6915 4.6915 5.4978 5.4978 5.7825 5.7825 6.0715 6.0715 6.4345 6.4345 6.6675 6.6675 7.8142 7.8142 7.8659 7.8659 12.1024 12.1024 12.2858 12.2858 14.5083 14.5083 14.7595 14.7595 k = 0.5000-0.4927-0.9886 ( 2790 PWs) bands (ev): -6.0374 -6.0374 -6.0024 -6.0024 -5.2088 -5.2088 -5.1740 -5.1740 -4.8919 -4.8919 -2.7525 -2.7525 -2.6942 -2.6942 2.3249 2.3249 4.0798 4.0798 4.3791 4.3791 4.6614 4.6614 5.5182 5.5182 5.8039 5.8039 6.0723 6.0723 6.4378 6.4378 6.6766 6.6766 7.8228 7.8228 7.8727 7.8727 12.0645 12.0645 12.2030 12.2030 14.5798 14.5798 14.7466 14.7466 k = 0.5000-0.4818-1.0066 ( 2798 PWs) bands (ev): -6.0364 -6.0364 -6.0036 -6.0036 -5.2088 -5.2088 -5.1743 -5.1743 -4.8920 -4.8920 -2.7349 -2.7349 -2.7103 -2.7103 2.3244 2.3244 4.0824 4.0824 4.3546 4.3546 4.6399 4.6399 5.5395 5.5395 5.8252 5.8252 6.0767 6.0767 6.4426 6.4426 6.6873 6.6873 7.8287 7.8287 7.8787 7.8787 12.0247 12.0247 12.1177 12.1177 14.6406 14.6406 14.7377 14.7377 k = 0.5000-0.4709-1.0245 ( 2800 PWs) bands (ev): -6.0394 -6.0394 -6.0005 -6.0005 -5.2091 -5.2091 -5.1737 -5.1737 -4.8920 -4.8920 -2.7702 -2.7702 -2.6771 -2.6771 2.3262 2.3262 4.0758 4.0758 4.3336 4.3336 4.6289 4.6289 5.5610 5.5610 5.8450 5.8450 6.0857 6.0857 6.4486 6.4486 6.6998 6.6998 7.8320 7.8320 7.8837 7.8837 11.9843 11.9843 12.0314 12.0314 14.6831 14.6831 14.7379 14.7379 k = 0.5000-0.4599-1.0425 ( 2800 PWs) bands (ev): -6.0446 -6.0446 -5.9949 -5.9949 -5.2099 -5.2099 -5.1722 -5.1722 -4.8920 -4.8920 -2.8098 -2.8098 -2.6433 -2.6433 2.3305 2.3305 4.0606 4.0606 4.3156 4.3156 4.6287 4.6287 5.5820 5.5820 5.8625 5.8625 6.0998 6.0998 6.4557 6.4557 6.7143 6.7143 7.8322 7.8322 7.8877 7.8877 11.9415 11.9415 11.9478 11.9478 14.6957 14.6957 14.7580 14.7580 k = 0.5000-0.4490-1.0604 ( 2806 PWs) bands (ev): -6.0507 -6.0507 -5.9882 -5.9882 -5.2110 -5.2110 -5.1700 -5.1700 -4.8920 -4.8920 -2.8516 -2.8516 -2.6113 -2.6113 2.3374 2.3374 4.0388 4.0388 4.3004 4.3004 4.6384 4.6384 5.6023 5.6023 5.8767 5.8767 6.1196 6.1196 6.4637 6.4637 6.7309 6.7309 7.8292 7.8292 7.8907 7.8907 11.8593 11.8593 11.9060 11.9060 14.6924 14.6924 14.7839 14.7839 k = 0.8145-0.3587-0.8854 ( 2806 PWs) bands (ev): -6.0507 -6.0507 -5.9882 -5.9882 -5.2110 -5.2110 -5.1700 -5.1700 -4.8920 -4.8920 -2.8516 -2.8516 -2.6113 -2.6113 2.3374 2.3374 4.0388 4.0388 4.3004 4.3004 4.6384 4.6384 5.6023 5.6023 5.8767 5.8767 6.1196 6.1196 6.4637 6.4637 6.7309 6.7309 7.8292 7.8292 7.8907 7.8907 11.8593 11.8593 11.9060 11.9060 14.6924 14.6924 14.7839 14.7839 k = 0.8085-0.3492-0.8671 ( 2812 PWs) bands (ev): -6.0570 -6.0570 -5.9809 -5.9809 -5.2122 -5.2122 -5.1672 -5.1672 -4.8920 -4.8920 -2.8964 -2.8964 -2.5808 -2.5808 2.3473 2.3473 4.0119 4.0119 4.2876 4.2876 4.6566 4.6566 5.6218 5.6218 5.8879 5.8879 6.1451 6.1451 6.4730 6.4730 6.7503 6.7503 7.8224 7.8224 7.8927 7.8927 11.7745 11.7745 11.8681 11.8681 14.6855 14.6855 14.8048 14.8048 k = 0.8026-0.3397-0.8487 ( 2810 PWs) bands (ev): -6.0631 -6.0631 -5.9735 -5.9735 -5.2135 -5.2135 -5.1639 -5.1639 -4.8920 -4.8920 -2.9431 -2.9431 -2.5527 -2.5527 2.3603 2.3603 3.9830 3.9830 4.2775 4.2775 4.6813 4.6813 5.6399 5.6399 5.8961 5.8961 6.1753 6.1753 6.4835 6.4835 6.7722 6.7722 7.8120 7.8120 7.8935 7.8935 11.6930 11.6930 11.8326 11.8326 14.6774 14.6774 14.8192 14.8192 k = 0.7967-0.3303-0.8304 ( 2806 PWs) bands (ev): -6.0688 -6.0688 -5.9661 -5.9661 -5.2147 -5.2147 -5.1604 -5.1604 -4.8920 -4.8920 -2.9916 -2.9916 -2.5272 -2.5272 2.3764 2.3764 3.9540 3.9540 4.2702 4.2702 4.7106 4.7106 5.6564 5.6564 5.9018 5.9018 6.2085 6.2085 6.4954 6.4954 6.7967 6.7967 7.7977 7.7977 7.8927 7.8927 11.6158 11.6158 11.8000 11.8000 14.6688 14.6688 14.8287 14.8287 k = 0.7907-0.3208-0.8120 ( 2808 PWs) bands (ev): -6.0740 -6.0740 -5.9589 -5.9589 -5.2160 -5.2160 -5.1565 -5.1565 -4.8921 -4.8921 -3.0418 -3.0418 -2.5046 -2.5046 2.3957 2.3957 3.9267 3.9267 4.2659 4.2659 4.7430 4.7430 5.6712 5.6712 5.9057 5.9057 6.2433 6.2433 6.5093 6.5093 6.8238 6.8238 7.7796 7.7796 7.8902 7.8902 11.5437 11.5437 11.7704 11.7704 14.6597 14.6597 14.8349 14.8349 k = 0.7848-0.3113-0.7937 ( 2812 PWs) bands (ev): -6.0787 -6.0787 -5.9519 -5.9519 -5.2172 -5.2172 -5.1525 -5.1525 -4.8923 -4.8923 -3.0936 -3.0936 -2.4850 -2.4850 2.4182 2.4182 3.9020 3.9020 4.2646 4.2646 4.7775 4.7775 5.6845 5.6845 5.9081 5.9081 6.2778 6.2778 6.5262 6.5262 6.8536 6.8536 7.7577 7.7577 7.8856 7.8856 11.4775 11.4775 11.7440 11.7440 14.6502 14.6502 14.8397 14.8397 k = 0.7789-0.3018-0.7753 ( 2810 PWs) bands (ev): -6.0827 -6.0827 -5.9451 -5.9451 -5.2183 -5.2183 -5.1483 -5.1483 -4.8924 -4.8924 -3.1468 -3.1468 -2.4684 -2.4684 2.4438 2.4438 3.8810 3.8810 4.2663 4.2663 4.8131 4.8131 5.6963 5.6963 5.9094 5.9094 6.3099 6.3099 6.5474 6.5474 6.8858 6.8858 7.7323 7.7323 7.8787 7.8787 11.4180 11.4180 11.7211 11.7211 14.6403 14.6403 14.8442 14.8442 k = 0.7729-0.2924-0.7569 ( 2814 PWs) bands (ev): -6.0861 -6.0861 -5.9385 -5.9385 -5.2193 -5.2193 -5.1441 -5.1441 -4.8927 -4.8927 -3.2013 -3.2013 -2.4552 -2.4552 2.4726 2.4726 3.8644 3.8644 4.2710 4.2710 4.8492 4.8492 5.7068 5.7068 5.9099 5.9099 6.3379 6.3379 6.5742 6.5742 6.9204 6.9204 7.7033 7.7033 7.8693 7.8693 11.3656 11.3656 11.7016 11.7016 14.6302 14.6302 14.8498 14.8498 k = 0.7670-0.2829-0.7386 ( 2814 PWs) bands (ev): -6.0888 -6.0888 -5.9321 -5.9321 -5.2202 -5.2202 -5.1397 -5.1397 -4.8930 -4.8930 -3.2570 -3.2570 -2.4453 -2.4453 2.5045 2.5045 3.8525 3.8525 4.2789 4.2789 4.8854 4.8854 5.7161 5.7161 5.9097 5.9097 6.3603 6.3603 6.6075 6.6075 6.9571 6.9571 7.6710 7.6710 7.8571 7.8571 11.3210 11.3210 11.6856 11.6856 14.6201 14.6201 14.8572 14.8572 k = 0.7611-0.2734-0.7202 ( 2818 PWs) bands (ev): -6.0909 -6.0909 -5.9261 -5.9261 -5.2210 -5.2210 -5.1353 -5.1353 -4.8935 -4.8935 -3.3136 -3.3136 -2.4389 -2.4389 2.5393 2.5393 3.8460 3.8460 4.2900 4.2900 4.9212 4.9212 5.7244 5.7244 5.9089 5.9089 6.3768 6.3768 6.6472 6.6472 6.9958 6.9958 7.6356 7.6356 7.8422 7.8422 11.2845 11.2845 11.6730 11.6730 14.6101 14.6101 14.8673 14.8673 k = 0.7551-0.2639-0.7019 ( 2816 PWs) bands (ev): -6.0922 -6.0922 -5.9203 -5.9203 -5.2217 -5.2217 -5.1309 -5.1309 -4.8940 -4.8940 -3.3711 -3.3711 -2.4359 -2.4359 2.5769 2.5769 3.8449 3.8449 4.3042 4.3042 4.9562 4.9562 5.7319 5.7319 5.9075 5.9075 6.3879 6.3879 6.6926 6.6926 7.0361 7.0361 7.5971 7.5971 7.8244 7.8244 11.2564 11.2564 11.6638 11.6638 14.6005 14.6005 14.8805 14.8805 k = 0.7492-0.2544-0.6835 ( 2816 PWs) bands (ev): -6.0929 -6.0929 -5.9147 -5.9147 -5.2223 -5.2223 -5.1265 -5.1265 -4.8946 -4.8946 -3.4292 -3.4292 -2.4364 -2.4364 2.6173 2.6173 3.8496 3.8496 4.3216 4.3216 4.9903 4.9903 5.7386 5.7386 5.9056 5.9056 6.3945 6.3945 6.7424 6.7424 7.0778 7.0778 7.5560 7.5560 7.8039 7.8039 11.2369 11.2369 11.6580 11.6580 14.5914 14.5914 14.8974 14.8974 k = 0.7433-0.2450-0.6652 ( 2812 PWs) bands (ev): -6.0928 -6.0928 -5.9095 -5.9095 -5.2227 -5.2227 -5.1221 -5.1221 -4.8953 -4.8953 -3.4877 -3.4877 -2.4404 -2.4404 2.6601 2.6601 3.8601 3.8601 4.3424 4.3424 5.0231 5.0231 5.7447 5.7447 5.9034 5.9034 6.3975 6.3975 6.7956 6.7956 7.1206 7.1206 7.5123 7.5123 7.7808 7.7808 11.2261 11.2261 11.6556 11.6556 14.5833 14.5833 14.9183 14.9183 k = 0.7373-0.2355-0.6468 ( 2814 PWs) bands (ev): -6.0921 -6.0921 -5.9045 -5.9045 -5.2230 -5.2230 -5.1177 -5.1177 -4.8962 -4.8962 -3.5465 -3.5465 -2.4479 -2.4479 2.7052 2.7052 3.8765 3.8765 4.3664 4.3664 5.0545 5.0545 5.7502 5.7502 5.9009 5.9009 6.3975 6.3975 6.8512 6.8512 7.1641 7.1641 7.4663 7.4663 7.7554 7.7554 11.2240 11.2240 11.6564 11.6564 14.5764 14.5764 14.9434 14.9434 k = 0.7314-0.2260-0.6284 ( 2816 PWs) bands (ev): -6.0907 -6.0907 -5.8998 -5.8998 -5.2232 -5.2232 -5.1134 -5.1134 -4.8972 -4.8972 -3.6055 -3.6055 -2.4588 -2.4588 2.7524 2.7524 3.8987 3.8987 4.3939 4.3939 5.0843 5.0843 5.7551 5.7551 5.8983 5.8983 6.3949 6.3949 6.9085 6.9085 7.2079 7.2079 7.4183 7.4183 7.7283 7.7283 11.2302 11.2302 11.6604 11.6604 14.5709 14.5709 14.9728 14.9728 k = 0.7255-0.2165-0.6101 ( 2816 PWs) bands (ev): -6.0886 -6.0886 -5.8953 -5.8953 -5.2233 -5.2233 -5.1092 -5.1092 -4.8984 -4.8984 -3.6644 -3.6644 -2.4729 -2.4729 2.8015 2.8015 3.9269 3.9269 4.4248 4.4248 5.1123 5.1123 5.7593 5.7593 5.8957 5.8957 6.3902 6.3902 6.9669 6.9669 7.2513 7.2513 7.3685 7.3685 7.7002 7.7002 11.2446 11.2446 11.6676 11.6676 14.5671 14.5671 15.0066 15.0066 k = 0.7195-0.2071-0.5917 ( 2820 PWs) bands (ev): -6.0858 -6.0858 -5.8911 -5.8911 -5.2234 -5.2234 -5.1050 -5.1050 -4.8998 -4.8998 -3.7231 -3.7231 -2.4903 -2.4903 2.8521 2.8521 3.9607 3.9607 4.4593 4.4593 5.1385 5.1385 5.7628 5.7628 5.8934 5.8934 6.3838 6.3838 7.0259 7.0259 7.2926 7.2926 7.3184 7.3184 7.6719 7.6719 11.2667 11.2667 11.6780 11.6780 14.5654 14.5654 15.0445 15.0445 k = 0.7136-0.1976-0.5734 ( 2816 PWs) bands (ev): -6.0824 -6.0824 -5.8872 -5.8872 -5.2232 -5.2232 -5.1009 -5.1009 -4.9012 -4.9012 -3.7814 -3.7814 -2.5106 -2.5106 2.9040 2.9040 4.0002 4.0002 4.4974 4.4974 5.1627 5.1627 5.7652 5.7652 5.8916 5.8916 6.3757 6.3757 7.0848 7.0848 7.2633 7.2633 7.3352 7.3352 7.6454 7.6454 11.2962 11.2962 11.6916 11.6916 14.5659 14.5659 15.0862 15.0862 k = 0.7077-0.1881-0.5550 ( 2824 PWs) bands (ev): -6.0783 -6.0783 -5.8836 -5.8836 -5.2230 -5.2230 -5.0969 -5.0969 -4.9030 -4.9030 -3.8391 -3.8391 -2.5339 -2.5339 2.9570 2.9570 4.0452 4.0452 4.5391 4.5391 5.1849 5.1849 5.7664 5.7664 5.8906 5.8906 6.3662 6.3662 7.1425 7.1425 7.2106 7.2106 7.3705 7.3705 7.6231 7.6231 11.3326 11.3326 11.7083 11.7083 14.5689 14.5689 15.1307 15.1307 k = 0.7017-0.1786-0.5367 ( 2826 PWs) bands (ev): -6.0736 -6.0736 -5.8802 -5.8802 -5.2227 -5.2227 -5.0930 -5.0930 -4.9049 -4.9049 -3.8961 -3.8961 -2.5600 -2.5600 3.0107 3.0107 4.0953 4.0953 4.5845 4.5845 5.2051 5.2051 5.7661 5.7661 5.8906 5.8906 6.3556 6.3556 7.1514 7.1514 7.2041 7.2041 7.3977 7.3977 7.6099 7.6099 11.3751 11.3751 11.7282 11.7282 14.5744 14.5744 15.1747 15.1747 k = 0.6958-0.1691-0.5183 ( 2826 PWs) bands (ev): -6.0684 -6.0684 -5.8770 -5.8770 -5.2223 -5.2223 -5.0892 -5.0892 -4.9070 -4.9070 -3.9522 -3.9522 -2.5885 -2.5885 3.0649 3.0649 4.1505 4.1505 4.6336 4.6336 5.2233 5.2233 5.7642 5.7642 5.8918 5.8918 6.3441 6.3441 7.0972 7.0972 7.2573 7.2573 7.4124 7.4124 7.6112 7.6112 11.4233 11.4233 11.7513 11.7513 14.5825 14.5825 15.1995 15.1995 k = 0.6899-0.1597-0.4999 ( 2824 PWs) bands (ev): -6.0626 -6.0626 -5.8741 -5.8741 -5.2217 -5.2217 -5.0856 -5.0856 -4.9093 -4.9093 -4.0072 -4.0072 -2.6195 -2.6195 3.1194 3.1194 4.2105 4.2105 4.6862 4.6862 5.2395 5.2395 5.7605 5.7605 5.8943 5.8943 6.3319 6.3319 7.0411 7.0411 7.3045 7.3045 7.4173 7.4173 7.6288 7.6288 11.4766 11.4766 11.7777 11.7777 14.5931 14.5931 15.1503 15.1503 k = 0.6839-0.1502-0.4816 ( 2824 PWs) bands (ev): -6.0563 -6.0563 -5.8714 -5.8714 -5.2211 -5.2211 -5.0820 -5.0820 -4.9119 -4.9119 -4.0610 -4.0610 -2.6525 -2.6525 3.1739 3.1739 4.2749 4.2749 4.7423 4.7423 5.2538 5.2538 5.7550 5.7550 5.8980 5.8980 6.3194 6.3194 6.9846 6.9846 7.3314 7.3314 7.4300 7.4300 7.6583 7.6583 11.5342 11.5342 11.8072 11.8072 14.6055 14.6055 15.0700 15.0700 k = 0.6780-0.1407-0.4632 ( 2818 PWs) bands (ev): -6.0495 -6.0495 -5.8689 -5.8689 -5.2203 -5.2203 -5.0785 -5.0785 -4.9147 -4.9147 -4.1134 -4.1134 -2.6876 -2.6876 3.2283 3.2283 4.3434 4.3434 4.8017 4.8017 5.2664 5.2664 5.7478 5.7478 5.9028 5.9028 6.3069 6.3069 6.9279 6.9279 7.3282 7.3282 7.4656 7.4656 7.6945 7.6945 11.5955 11.5955 11.8400 11.8400 14.6182 14.6182 14.9883 14.9883 k = 0.6721-0.1312-0.4449 ( 2816 PWs) bands (ev): -6.0423 -6.0423 -5.8667 -5.8667 -5.2194 -5.2194 -5.0752 -5.0752 -4.9178 -4.9178 -4.1643 -4.1643 -2.7243 -2.7243 3.2822 3.2822 4.4158 4.4158 4.8640 4.8640 5.2773 5.2773 5.7390 5.7390 5.9084 5.9084 6.2948 6.2948 6.8714 6.8714 7.3096 7.3096 7.5126 7.5126 7.7336 7.7336 11.6599 11.6599 11.8759 11.8759 14.6275 14.6275 14.9126 14.9126 k = 0.6661-0.1218-0.4265 ( 2814 PWs) bands (ev): -6.0347 -6.0347 -5.8647 -5.8647 -5.2185 -5.2185 -5.0719 -5.0719 -4.9212 -4.9212 -4.2134 -4.2134 -2.7626 -2.7626 3.3356 3.3356 4.4915 4.4915 4.9285 4.9285 5.2871 5.2871 5.7290 5.7290 5.9146 5.9146 6.2835 6.2835 6.8153 6.8153 7.2863 7.2863 7.5622 7.5622 7.7740 7.7740 11.7266 11.7266 11.9149 11.9149 14.6243 14.6243 14.8528 14.8528 k = 0.6602-0.1123-0.4082 ( 2822 PWs) bands (ev): -6.0269 -6.0269 -5.8629 -5.8629 -5.2176 -5.2176 -5.0688 -5.0688 -4.9250 -4.9250 -4.2608 -4.2608 -2.8023 -2.8023 3.3882 3.3882 4.5701 4.5701 4.9944 4.9944 5.2960 5.2960 5.7179 5.7179 5.9212 5.9212 6.2734 6.2734 6.7599 6.7599 7.2621 7.2621 7.6115 7.6115 7.8146 7.8146 11.7950 11.7950 11.9567 11.9567 14.5942 14.5942 14.8228 14.8228 k = 0.6543-0.1028-0.3898 ( 2826 PWs) bands (ev): -6.0187 -6.0187 -5.8614 -5.8614 -5.2165 -5.2165 -5.0658 -5.0658 -4.9290 -4.9290 -4.3062 -4.3062 -2.8430 -2.8430 3.4401 3.4401 4.6512 4.6512 5.0601 5.0601 5.3053 5.3053 5.7062 5.7062 5.9281 5.9281 6.2651 6.2651 6.7056 6.7056 7.2384 7.2384 7.6595 7.6595 7.8547 7.8547 11.8644 11.8644 12.0013 12.0013 14.5354 14.5354 14.8216 14.8216 k = 0.6483-0.0933-0.3714 ( 2820 PWs) bands (ev): -6.0103 -6.0103 -5.8601 -5.8601 -5.2154 -5.2154 -5.0628 -5.0628 -4.9334 -4.9334 -4.3494 -4.3494 -2.8846 -2.8846 3.4912 3.4912 4.7341 4.7341 5.1229 5.1229 5.3167 5.3167 5.6946 5.6946 5.9352 5.9352 6.2590 6.2590 6.6529 6.6529 7.2162 7.2162 7.7057 7.7057 7.8938 7.8938 11.9340 11.9340 12.0480 12.0480 14.4605 14.4605 14.8127 14.8127 k = 0.6424-0.0838-0.3531 ( 2818 PWs) bands (ev): -6.0018 -6.0018 -5.8590 -5.8590 -5.2143 -5.2143 -5.0600 -5.0600 -4.9381 -4.9381 -4.3904 -4.3904 -2.9270 -2.9270 3.5413 3.5413 4.8179 4.8179 5.1777 5.1777 5.3339 5.3339 5.6837 5.6837 5.9422 5.9422 6.2554 6.2554 6.6024 6.6024 7.1960 7.1960 7.7498 7.7498 7.9317 7.9317 12.0030 12.0030 12.0966 12.0966 14.3786 14.3786 14.7318 14.7318 k = 0.6365-0.0744-0.3347 ( 2816 PWs) bands (ev): -5.9931 -5.9931 -5.8581 -5.8581 -5.2132 -5.2132 -5.0572 -5.0572 -4.9431 -4.9431 -4.4289 -4.4289 -2.9698 -2.9698 3.5905 3.5905 4.9017 4.9017 5.2182 5.2182 5.3619 5.3619 5.6751 5.6751 5.9491 5.9491 6.2545 6.2545 6.5551 6.5551 7.1781 7.1781 7.7916 7.7916 7.9681 7.9681 12.0708 12.0708 12.1462 12.1462 14.2936 14.2936 14.6275 14.6275 k = 0.6305-0.0649-0.3164 ( 2814 PWs) bands (ev): -5.9844 -5.9844 -5.8574 -5.8574 -5.2122 -5.2122 -5.0545 -5.0545 -4.9484 -4.9484 -4.4650 -4.4650 -3.0130 -3.0130 3.6387 3.6387 4.9835 4.9835 5.2429 5.2429 5.3998 5.3998 5.6710 5.6710 5.9561 5.9561 6.2560 6.2560 6.5129 6.5129 7.1629 7.1629 7.8310 7.8310 8.0026 8.0026 12.1363 12.1363 12.1959 12.1959 14.2073 14.2073 14.5220 14.5220 k = 0.6246-0.0554-0.2980 ( 2816 PWs) bands (ev): -5.9758 -5.9758 -5.8570 -5.8570 -5.2114 -5.2114 -5.0519 -5.0519 -4.9540 -4.9540 -4.4985 -4.4985 -3.0563 -3.0563 3.6860 3.6860 5.0599 5.0599 5.2594 5.2594 5.4380 5.4380 5.6745 5.6745 5.9633 5.9633 6.2584 6.2584 6.4788 6.4788 7.1507 7.1507 7.8678 7.8678 8.0352 8.0352 12.1985 12.1985 12.2448 12.2448 14.1207 14.1207 14.4199 14.4199 k = 0.6187-0.0459-0.2797 ( 2814 PWs) bands (ev): -5.9672 -5.9672 -5.8567 -5.8567 -5.2107 -5.2107 -5.0493 -5.0493 -4.9598 -4.9598 -4.5294 -4.5294 -3.0995 -3.0995 3.7323 3.7323 5.1233 5.1233 5.2793 5.2793 5.4672 5.4672 5.6884 5.6884 5.9711 5.9711 6.2580 6.2580 6.4584 6.4584 7.1417 7.1417 7.9021 7.9021 8.0656 8.0656 12.2554 12.2554 12.2921 12.2921 14.0346 14.0346 14.3236 14.3236 k = 0.6127-0.0365-0.2613 ( 2814 PWs) bands (ev): -5.9588 -5.9588 -5.8567 -5.8567 -5.2102 -5.2102 -5.0467 -5.0467 -4.9657 -4.9657 -4.5576 -4.5576 -3.1424 -3.1424 3.7777 3.7777 5.1624 5.1624 5.3145 5.3145 5.4851 5.4851 5.7113 5.7113 5.9799 5.9799 6.2500 6.2500 6.4584 6.4584 7.1364 7.1364 7.9337 7.9337 8.0937 8.0937 12.3036 12.3036 12.3381 12.3381 13.9499 13.9499 14.2356 14.2356 k = 0.6068-0.0270-0.2429 ( 2814 PWs) bands (ev): -5.9506 -5.9506 -5.8568 -5.8568 -5.2101 -5.2101 -5.0442 -5.0442 -4.9715 -4.9715 -4.5832 -4.5832 -3.1849 -3.1849 3.8221 3.8221 5.1764 5.1764 5.3624 5.3624 5.4977 5.4977 5.7375 5.7375 5.9905 5.9905 6.2332 6.2332 6.4815 6.4815 7.1351 7.1351 7.9626 7.9626 8.1192 8.1192 12.3391 12.3391 12.3831 12.3831 13.8678 13.8678 14.1586 14.1586 k = 0.6009-0.0175-0.2246 ( 2816 PWs) bands (ev): -5.9427 -5.9427 -5.8571 -5.8571 -5.2104 -5.2104 -5.0417 -5.0417 -4.9772 -4.9772 -4.6062 -4.6062 -3.2268 -3.2268 3.8656 3.8656 5.1762 5.1762 5.4030 5.4030 5.5176 5.5176 5.7614 5.7614 6.0032 6.0032 6.2114 6.2114 6.5253 6.5253 7.1382 7.1382 7.9888 7.9888 8.1420 8.1420 12.3599 12.3599 12.4250 12.4250 13.7896 13.7896 14.0953 14.0953 k = 0.5949-0.0080-0.2062 ( 2816 PWs) bands (ev): -5.9351 -5.9351 -5.8576 -5.8576 -5.2112 -5.2112 -5.0393 -5.0393 -4.9825 -4.9825 -4.6267 -4.6267 -3.2678 -3.2678 3.9081 3.9081 5.1691 5.1691 5.4209 5.4209 5.5540 5.5540 5.7802 5.7802 6.0182 6.0182 6.1893 6.1893 6.5853 6.5853 7.1463 7.1463 8.0124 8.0124 8.1619 8.1619 12.3649 12.3649 12.4609 12.4609 13.7167 13.7167 14.0486 14.0486 k = 0.5890 0.0014-0.1879 ( 2820 PWs) bands (ev): -5.9278 -5.9278 -5.8583 -5.8583 -5.2125 -5.2125 -5.0370 -5.0370 -4.9872 -4.9872 -4.6448 -4.6448 -3.3078 -3.3078 3.9496 3.9496 5.1582 5.1582 5.4223 5.4223 5.5965 5.5965 5.7951 5.7951 6.0345 6.0345 6.1705 6.1705 6.6579 6.6579 7.1596 7.1596 8.0332 8.0332 8.1787 8.1787 12.3528 12.3528 12.4887 12.4887 13.6503 13.6503 14.0208 14.0208 k = 0.5831 0.0109-0.1695 ( 2820 PWs) bands (ev): -5.9210 -5.9210 -5.8592 -5.8592 -5.2143 -5.2143 -5.0349 -5.0349 -4.9910 -4.9910 -4.6607 -4.6607 -3.3466 -3.3466 3.9901 3.9901 5.1451 5.1451 5.4168 5.4168 5.6310 5.6310 5.8098 5.8098 6.0505 6.0505 6.1579 6.1579 6.7401 6.7401 7.1789 7.1789 8.0513 8.0513 8.1922 8.1922 12.3235 12.3235 12.5065 12.5065 13.5917 13.5917 14.0130 14.0130 k = 0.5771 0.0204-0.1512 ( 2824 PWs) bands (ev): -5.9146 -5.9146 -5.8602 -5.8602 -5.2166 -5.2166 -5.0332 -5.0332 -4.9938 -4.9938 -4.6746 -4.6746 -3.3840 -3.3840 4.0294 4.0294 5.1307 5.1307 5.4085 5.4085 5.6500 5.6500 5.8281 5.8281 6.0629 6.0629 6.1548 6.1548 6.8293 6.8293 7.2044 7.2044 8.0667 8.0667 8.2023 8.2023 12.2778 12.2778 12.5132 12.5132 13.5420 13.5420 14.0248 14.0248 k = 0.5712 0.0299-0.1328 ( 2818 PWs) bands (ev): -5.9086 -5.9086 -5.8612 -5.8612 -5.2194 -5.2194 -5.0319 -5.0319 -4.9953 -4.9953 -4.6866 -4.6866 -3.4198 -3.4198 4.0675 4.0675 5.1155 5.1155 5.3991 5.3991 5.6532 5.6532 5.8501 5.8501 6.0689 6.0689 6.1635 6.1635 6.9234 6.9234 7.2363 7.2363 8.0793 8.0793 8.2087 8.2087 12.2181 12.2181 12.5082 12.5082 13.5018 13.5018 14.0542 14.0542 k = 0.5653 0.0394-0.1144 ( 2816 PWs) bands (ev): -5.9031 -5.9031 -5.8623 -5.8623 -5.2226 -5.2226 -5.0311 -5.0311 -4.9955 -4.9955 -4.6969 -4.6969 -3.4538 -3.4538 4.1042 4.1042 5.1001 5.1001 5.3892 5.3892 5.6450 5.6450 5.8725 5.8725 6.0695 6.0695 6.1816 6.1816 7.0203 7.0203 7.2748 7.2748 8.0890 8.0890 8.2113 8.2113 12.1478 12.1478 12.4917 12.4917 13.4714 13.4714 14.0982 14.0982 k = 0.5593 0.0488-0.0961 ( 2816 PWs) bands (ev): -5.8981 -5.8981 -5.8635 -5.8635 -5.2260 -5.2260 -5.0308 -5.0308 -4.9945 -4.9945 -4.7057 -4.7057 -3.4857 -3.4857 4.1393 4.1393 5.0848 5.0848 5.3790 5.3790 5.6303 5.6303 5.8926 5.8926 6.0678 6.0678 6.2043 6.2043 7.1184 7.1184 7.3196 7.3196 8.0958 8.0958 8.2099 8.2099 12.0702 12.0702 12.4651 12.4651 13.4502 13.4502 14.1531 14.1531 k = 0.5534 0.0583-0.0777 ( 2820 PWs) bands (ev): -5.8937 -5.8937 -5.8648 -5.8648 -5.2297 -5.2297 -5.0309 -5.0309 -4.9925 -4.9925 -4.7132 -4.7132 -3.5155 -3.5155 4.1727 4.1727 5.0701 5.0701 5.3687 5.3687 5.6123 5.6123 5.9094 5.9094 6.0657 6.0657 6.2280 6.2280 7.2163 7.2163 7.3700 7.3700 8.0994 8.0994 8.2042 8.2042 11.9887 11.9887 12.4305 12.4305 13.4368 13.4368 14.2151 14.2151 k = 0.5475 0.0678-0.0594 ( 2820 PWs) bands (ev): -5.8897 -5.8897 -5.8660 -5.8660 -5.2333 -5.2333 -5.0312 -5.0312 -4.9898 -4.9898 -4.7195 -4.7195 -3.5429 -3.5429 4.2040 4.2040 5.0561 5.0561 5.3582 5.3582 5.5933 5.5933 5.9228 5.9228 6.0640 6.0640 6.2505 6.2505 7.3127 7.3127 7.4253 7.4253 8.0997 8.0997 8.1941 8.1941 11.9066 11.9066 12.3906 12.3906 13.4296 13.4296 14.2805 14.2805 k = 0.5415 0.0773-0.0410 ( 2822 PWs) bands (ev): -5.8863 -5.8863 -5.8671 -5.8671 -5.2368 -5.2368 -5.0316 -5.0316 -4.9868 -4.9868 -4.7247 -4.7247 -3.5676 -3.5676 4.2331 4.2331 5.0432 5.0432 5.3479 5.3479 5.5747 5.5747 5.9334 5.9334 6.0628 6.0628 6.2707 6.2707 7.4062 7.4062 7.4844 7.4844 8.0964 8.0964 8.1795 8.1795 11.8265 11.8265 12.3482 12.3482 13.4269 13.4269 14.3453 14.3453 k = 0.5356 0.0867-0.0227 ( 2826 PWs) bands (ev): -5.8834 -5.8834 -5.8682 -5.8682 -5.2401 -5.2401 -5.0321 -5.0321 -4.9836 -4.9836 -4.7289 -4.7289 -3.5896 -3.5896 4.2594 4.2594 5.0316 5.0316 5.3376 5.3376 5.5577 5.5577 5.9416 5.9416 6.0621 6.0621 6.2881 6.2881 7.4956 7.4956 7.5460 7.5460 8.0890 8.0890 8.1604 8.1604 11.7512 11.7512 12.3060 12.3060 13.4272 13.4272 14.4057 14.4057 k = 0.5297 0.0962-0.0043 ( 2830 PWs) bands (ev): -5.8811 -5.8811 -5.8691 -5.8691 -5.2431 -5.2431 -5.0324 -5.0324 -4.9806 -4.9806 -4.7324 -4.7324 -3.6085 -3.6085 4.2827 4.2827 5.0214 5.0214 5.3279 5.3279 5.5427 5.5427 5.9479 5.9479 6.0617 6.0617 6.3025 6.3025 7.5798 7.5798 7.6087 7.6087 8.0771 8.0771 8.1370 8.1370 11.6830 11.6830 12.2663 12.2663 13.4292 13.4292 14.4578 14.4578 k = 0.5237 0.1057 0.0140 ( 2832 PWs) bands (ev): -5.8792 -5.8792 -5.8698 -5.8698 -5.2456 -5.2456 -5.0327 -5.0327 -4.9779 -4.9779 -4.7350 -4.7350 -3.6242 -3.6242 4.3026 4.3026 5.0128 5.0128 5.3190 5.3190 5.5303 5.5303 5.9525 5.9525 6.0616 6.0616 6.3139 6.3139 7.6575 7.6575 7.6709 7.6709 8.0600 8.0600 8.1100 8.1100 11.6239 11.6239 12.2311 12.2311 13.4318 13.4318 14.4986 14.4986 k = 0.5178 0.1152 0.0324 ( 2836 PWs) bands (ev): -5.8780 -5.8780 -5.8703 -5.8703 -5.2476 -5.2476 -5.0330 -5.0330 -4.9757 -4.9757 -4.7371 -4.7371 -3.6367 -3.6367 4.3186 4.3186 5.0060 5.0060 5.3114 5.3114 5.5206 5.5206 5.9559 5.9559 6.0617 6.0617 6.3226 6.3226 7.7270 7.7270 7.7314 7.7314 8.0367 8.0367 8.0808 8.0808 11.5757 11.5757 12.2021 12.2021 13.4345 13.4345 14.5273 14.5273 k = 0.5119 0.1247 0.0508 ( 2848 PWs) bands (ev): -5.8772 -5.8772 -5.8705 -5.8705 -5.2491 -5.2491 -5.0332 -5.0332 -4.9740 -4.9740 -4.7385 -4.7385 -3.6456 -3.6456 4.3303 4.3303 5.0010 5.0010 5.3055 5.3055 5.5136 5.5136 5.9581 5.9581 6.0617 6.0617 6.3286 6.3286 7.7824 7.7824 7.7920 7.7920 8.0065 8.0065 8.0521 8.0521 11.5402 11.5402 12.1805 12.1805 13.4368 13.4368 14.5449 14.5449 k = 0.5059 0.1341 0.0691 ( 2848 PWs) bands (ev): -5.8768 -5.8768 -5.8706 -5.8706 -5.2500 -5.2500 -5.0333 -5.0333 -4.9730 -4.9730 -4.7393 -4.7393 -3.6511 -3.6511 4.3375 4.3375 4.9980 4.9980 5.3018 5.3018 5.5095 5.5095 5.9594 5.9594 6.0618 6.0618 6.3322 6.3322 7.8225 7.8225 7.8450 7.8450 7.9717 7.9717 8.0287 8.0287 11.5183 11.5183 12.1671 12.1671 13.4382 13.4382 14.5542 14.5542 k = 0.5000 0.1436 0.0875 ( 2840 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2503 -5.2503 -5.0332 -5.0332 -4.9726 -4.9726 -4.7395 -4.7395 -3.6529 -3.6529 4.3399 4.3399 4.9970 4.9970 5.3006 5.3006 5.5082 5.5082 5.9598 5.9598 6.0618 6.0618 6.3334 6.3334 7.8383 7.8383 7.8731 7.8731 7.9494 7.9494 8.0188 8.0188 11.5110 11.5110 12.1626 12.1626 13.4387 13.4387 14.5570 14.5570 k = 0.5000 0.1436 0.0875 ( 2840 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2503 -5.2503 -5.0332 -5.0332 -4.9726 -4.9726 -4.7395 -4.7395 -3.6529 -3.6529 4.3399 4.3399 4.9970 4.9970 5.3006 5.3006 5.5082 5.5082 5.9598 5.9598 6.0618 6.0618 6.3334 6.3334 7.8383 7.8383 7.8731 7.8731 7.9494 7.9494 8.0188 8.0188 11.5110 11.5110 12.1626 12.1626 13.4387 13.4387 14.5570 14.5570 k = 0.4800 0.1379 0.0840 ( 2846 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2505 -5.2505 -5.0333 -5.0333 -4.9726 -4.9726 -4.7399 -4.7399 -3.6520 -3.6520 4.3265 4.3265 5.0095 5.0095 5.3006 5.3006 5.5092 5.5092 5.9607 5.9607 6.0618 6.0618 6.3348 6.3348 7.8310 7.8310 7.8687 7.8687 7.9568 7.9568 8.0234 8.0234 11.5011 11.5011 12.1642 12.1642 13.4434 13.4434 14.5538 14.5538 k = 0.4600 0.1321 0.0805 ( 2834 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2509 -5.2509 -5.0334 -5.0334 -4.9725 -4.9725 -4.7408 -4.7408 -3.6493 -3.6493 4.2894 4.2894 5.0439 5.0439 5.3010 5.3010 5.5126 5.5126 5.9632 5.9632 6.0618 6.0618 6.3393 6.3393 7.8131 7.8131 7.8568 7.8568 7.9751 7.9751 8.0359 8.0359 11.4725 11.4725 12.1682 12.1682 13.4574 13.4574 14.5442 14.5442 k = 0.4400 0.1264 0.0770 ( 2834 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2517 -5.2517 -5.0336 -5.0336 -4.9725 -4.9725 -4.7423 -4.7423 -3.6448 -3.6448 4.2351 4.2351 5.0927 5.0927 5.3015 5.3015 5.5186 5.5186 5.9675 5.9675 6.0618 6.0618 6.3471 6.3471 7.7901 7.7901 7.8401 7.8401 7.9986 7.9986 8.0535 8.0535 11.4270 11.4270 12.1732 12.1732 13.4800 13.4800 14.5286 14.5286 k = 0.4200 0.1206 0.0735 ( 2840 PWs) bands (ev): -5.8767 -5.8767 -5.8707 -5.8707 -5.2528 -5.2528 -5.0338 -5.0338 -4.9725 -4.9725 -4.7444 -4.7444 -3.6387 -3.6387 4.1701 4.1701 5.1484 5.1484 5.3022 5.3022 5.5278 5.5278 5.9736 5.9736 6.0617 6.0617 6.3585 6.3585 7.7650 7.7650 7.8208 7.8208 8.0245 8.0245 8.0739 8.0739 11.3674 11.3674 12.1775 12.1775 13.5107 13.5107 14.5074 14.5074 k = 0.4000 0.1149 0.0700 ( 2846 PWs) bands (ev): -5.8767 -5.8767 -5.8709 -5.8709 -5.2542 -5.2542 -5.0341 -5.0341 -4.9725 -4.9725 -4.7470 -4.7470 -3.6310 -3.6310 4.0989 4.0989 5.2047 5.2047 5.3032 5.3032 5.5412 5.5412 5.9816 5.9816 6.0615 6.0615 6.3744 6.3744 7.7392 7.7392 7.8003 7.8003 8.0513 8.0513 8.0960 8.0960 11.2963 11.2963 12.1799 12.1799 13.5482 13.5482 14.4814 14.4814 k = 0.3800 0.1091 0.0665 ( 2846 PWs) bands (ev): -5.8767 -5.8767 -5.8710 -5.8710 -5.2558 -5.2558 -5.0345 -5.0345 -4.9725 -4.9725 -4.7499 -4.7499 -3.6220 -3.6220 4.0248 4.0248 5.2566 5.2566 5.3043 5.3043 5.5596 5.5596 5.9914 5.9914 6.0614 6.0614 6.3957 6.3957 7.7133 7.7133 7.7792 7.7792 8.0784 8.0784 8.1190 8.1190 11.2158 11.2158 12.1795 12.1795 13.5916 13.5916 14.4511 14.4511 k = 0.3600 0.1034 0.0630 ( 2834 PWs) bands (ev): -5.8766 -5.8766 -5.8710 -5.8710 -5.2576 -5.2576 -5.0348 -5.0348 -4.9724 -4.9724 -4.7532 -4.7532 -3.6116 -3.6116 3.9496 3.9496 5.3006 5.3006 5.3056 5.3056 5.5834 5.5834 6.0031 6.0031 6.0613 6.0613 6.4236 6.4236 7.6876 7.6876 7.7581 7.7581 8.1055 8.1055 8.1422 8.1422 11.1278 11.1278 12.1759 12.1759 13.6394 13.6394 14.4175 14.4175 k = 0.3400 0.0977 0.0595 ( 2831 PWs) bands (ev): -5.8766 -5.8766 -5.8712 -5.8712 -5.2597 -5.2597 -5.0352 -5.0352 -4.9724 -4.9724 -4.7568 -4.7568 -3.6003 -3.6003 3.8748 3.8748 5.3071 5.3071 5.3350 5.3350 5.6118 5.6118 6.0161 6.0161 6.0611 6.0611 6.4590 6.4590 7.6625 7.6625 7.7372 7.7372 8.1323 8.1323 8.1655 8.1655 11.0339 11.0339 12.1692 12.1692 13.6906 13.6906 14.3812 14.3812 k = 0.3200 0.0919 0.0560 ( 2834 PWs) bands (ev): -5.8766 -5.8766 -5.8713 -5.8713 -5.2620 -5.2620 -5.0357 -5.0357 -4.9725 -4.9725 -4.7606 -4.7606 -3.5880 -3.5880 3.8014 3.8014 5.3087 5.3087 5.3607 5.3607 5.6425 5.6425 6.0301 6.0301 6.0609 6.0609 6.5032 6.5032 7.6380 7.6380 7.7168 7.7168 8.1585 8.1585 8.1884 8.1884 10.9354 10.9354 12.1597 12.1597 13.7440 13.7440 14.3432 14.3432 k = 0.3000 0.0862 0.0525 ( 2831 PWs) bands (ev): -5.8766 -5.8766 -5.8714 -5.8714 -5.2645 -5.2645 -5.0362 -5.0362 -4.9725 -4.9725 -4.7644 -4.7644 -3.5751 -3.5751 3.7301 3.7301 5.3103 5.3103 5.3793 5.3793 5.6728 5.6728 6.0444 6.0444 6.0607 6.0607 6.5567 6.5567 7.6143 7.6143 7.6971 7.6971 8.1840 8.1840 8.2109 8.2109 10.8334 10.8334 12.1477 12.1477 13.7983 13.7983 14.3042 14.3042 k = 0.2800 0.0804 0.0490 ( 2831 PWs) bands (ev): -5.8766 -5.8766 -5.8715 -5.8715 -5.2670 -5.2670 -5.0368 -5.0368 -4.9725 -4.9725 -4.7682 -4.7682 -3.5618 -3.5618 3.6615 3.6615 5.3120 5.3120 5.3929 5.3929 5.7006 5.7006 6.0582 6.0582 6.0605 6.0605 6.6195 6.6195 7.5917 7.5917 7.6781 7.6781 8.2086 8.2086 8.2327 8.2327 10.7287 10.7287 12.1339 12.1339 13.8527 13.8527 14.2649 14.2649 k = 0.2600 0.0747 0.0455 ( 2831 PWs) bands (ev): -5.8766 -5.8766 -5.8717 -5.8717 -5.2697 -5.2697 -5.0373 -5.0373 -4.9725 -4.9725 -4.7721 -4.7721 -3.5482 -3.5482 3.5959 3.5959 5.3138 5.3138 5.4031 5.4031 5.7249 5.7249 6.0603 6.0603 6.0710 6.0710 6.6906 6.6906 7.5701 7.5701 7.6600 7.6600 8.2323 8.2323 8.2538 8.2538 10.6223 10.6223 12.1187 12.1187 13.9059 13.9059 14.2263 14.2263 k = 0.2400 0.0689 0.0420 ( 2819 PWs) bands (ev): -5.8766 -5.8766 -5.8717 -5.8717 -5.2723 -5.2723 -5.0378 -5.0378 -4.9725 -4.9725 -4.7757 -4.7757 -3.5346 -3.5346 3.5339 3.5339 5.3156 5.3156 5.4109 5.4109 5.7457 5.7457 6.0601 6.0601 6.0826 6.0826 6.7689 6.7689 7.5498 7.5498 7.6429 7.6429 8.2548 8.2548 8.2739 8.2739 10.5151 10.5151 12.1025 12.1025 13.9568 13.9568 14.1895 14.1895 k = 0.2200 0.0632 0.0385 ( 2822 PWs) bands (ev): -5.8766 -5.8766 -5.8719 -5.8719 -5.2750 -5.2750 -5.0383 -5.0383 -4.9725 -4.9725 -4.7794 -4.7794 -3.5212 -3.5212 3.4758 3.4758 5.3174 5.3174 5.4170 5.4170 5.7631 5.7631 6.0599 6.0599 6.0927 6.0927 6.8524 6.8524 7.5309 7.5309 7.6268 7.6268 8.2761 8.2761 8.2929 8.2929 10.4078 10.4078 12.0860 12.0860 14.0033 14.0033 14.1563 14.1563 k = 0.2000 0.0574 0.0350 ( 2828 PWs) bands (ev): -5.8766 -5.8766 -5.8721 -5.8721 -5.2776 -5.2776 -5.0388 -5.0388 -4.9726 -4.9726 -4.7828 -4.7828 -3.5082 -3.5082 3.4217 3.4217 5.3191 5.3191 5.4218 5.4218 5.7776 5.7776 6.0597 6.0597 6.1014 6.1014 6.9394 6.9394 7.5136 7.5136 7.6119 7.6119 8.2960 8.2960 8.3108 8.3108 10.3015 10.3015 12.0695 12.0695 14.0388 14.0388 14.1332 14.1332 k = 0.1800 0.0517 0.0315 ( 2828 PWs) bands (ev): -5.8766 -5.8766 -5.8722 -5.8722 -5.2802 -5.2802 -5.0393 -5.0393 -4.9726 -4.9726 -4.7859 -4.7859 -3.4957 -3.4957 3.3721 3.3721 5.3208 5.3208 5.4258 5.4258 5.7897 5.7897 6.0595 6.0595 6.1088 6.1088 7.0278 7.0278 7.4981 7.4981 7.5982 7.5982 8.3145 8.3145 8.3273 8.3273 10.1972 10.1972 12.0533 12.0533 14.0464 14.0464 14.1371 14.1371 k = 0.1600 0.0460 0.0280 ( 2832 PWs) bands (ev): -5.8766 -5.8766 -5.8724 -5.8724 -5.2826 -5.2826 -5.0398 -5.0398 -4.9726 -4.9726 -4.7888 -4.7888 -3.4840 -3.4840 3.3270 3.3270 5.3224 5.3224 5.4291 5.4291 5.7997 5.7997 6.0593 6.0593 6.1149 6.1149 7.1154 7.1154 7.4848 7.4848 7.5857 7.5857 8.3313 8.3313 8.3425 8.3425 10.0959 10.0959 12.0380 12.0380 14.0286 14.0286 14.1653 14.1653 k = 0.1400 0.0402 0.0245 ( 2823 PWs) bands (ev): -5.8766 -5.8766 -5.8725 -5.8725 -5.2848 -5.2848 -5.0402 -5.0402 -4.9725 -4.9725 -4.7914 -4.7914 -3.4733 -3.4733 3.2868 3.2868 5.3239 5.3239 5.4319 5.4319 5.8081 5.8081 6.0592 6.0592 6.1201 6.1201 7.1997 7.1997 7.4744 7.4744 7.5746 7.5746 8.3464 8.3464 8.3561 8.3561 9.9991 9.9991 12.0237 12.0237 14.0050 14.0050 14.1982 14.1982 k = 0.1200 0.0345 0.0210 ( 2823 PWs) bands (ev): -5.8766 -5.8766 -5.8726 -5.8726 -5.2868 -5.2868 -5.0405 -5.0405 -4.9725 -4.9725 -4.7937 -4.7937 -3.4637 -3.4637 3.2516 3.2516 5.3252 5.3252 5.4342 5.4342 5.8150 5.8150 6.0591 6.0591 6.1244 6.1244 7.2769 7.2769 7.4686 7.4686 7.5649 7.5649 8.3597 8.3597 8.3681 8.3681 9.9084 9.9084 12.0108 12.0108 13.9821 13.9821 14.2293 14.2293 k = 0.1000 0.0287 0.0175 ( 2820 PWs) bands (ev): -5.8766 -5.8766 -5.8727 -5.8727 -5.2885 -5.2885 -5.0408 -5.0408 -4.9725 -4.9725 -4.7956 -4.7956 -3.4553 -3.4553 3.2216 3.2216 5.3264 5.3264 5.4360 5.4360 5.8206 5.8206 6.0590 6.0590 6.1279 6.1279 7.3405 7.3405 7.4720 7.4720 7.5565 7.5565 8.3711 8.3711 8.3784 8.3784 9.8255 9.8255 11.9995 11.9995 13.9617 13.9617 14.2568 14.2568 k = 0.0800 0.0230 0.0140 ( 2820 PWs) bands (ev): -5.8766 -5.8766 -5.8727 -5.8727 -5.2900 -5.2900 -5.0411 -5.0411 -4.9725 -4.9725 -4.7972 -4.7972 -3.4482 -3.4482 3.1968 3.1968 5.3274 5.3274 5.4375 5.4375 5.8250 5.8250 6.0589 6.0589 6.1306 6.1306 7.3795 7.3795 7.4929 7.4929 7.5497 7.5497 8.3805 8.3805 8.3869 8.3869 9.7528 9.7528 11.9900 11.9900 13.9445 13.9445 14.2435 14.2435 k = 0.0600 0.0172 0.0105 ( 2820 PWs) bands (ev): -5.8766 -5.8766 -5.8728 -5.8728 -5.2912 -5.2912 -5.0413 -5.0413 -4.9725 -4.9725 -4.7985 -4.7985 -3.4426 -3.4426 3.1774 3.1774 5.3281 5.3281 5.4386 5.4386 5.8284 5.8284 6.0589 6.0589 6.1327 6.1327 7.3940 7.3940 7.5288 7.5288 7.5443 7.5443 8.3880 8.3880 8.3936 8.3936 9.6926 9.6926 11.9825 11.9825 13.9308 13.9308 14.2292 14.2292 k = 0.0400 0.0115 0.0070 ( 2814 PWs) bands (ev): -5.8766 -5.8766 -5.8728 -5.8728 -5.2920 -5.2920 -5.0414 -5.0414 -4.9725 -4.9725 -4.7994 -4.7994 -3.4386 -3.4386 3.1635 3.1635 5.3287 5.3287 5.4394 5.4394 5.8308 5.8308 6.0588 6.0588 6.1341 6.1341 7.3976 7.3976 7.5404 7.5404 7.5636 7.5636 8.3933 8.3933 8.3984 8.3984 9.6472 9.6472 11.9770 11.9770 13.9208 13.9208 14.2189 14.2189 k = 0.0200 0.0057 0.0035 ( 2814 PWs) bands (ev): -5.8766 -5.8766 -5.8729 -5.8729 -5.2925 -5.2925 -5.0415 -5.0415 -4.9725 -4.9725 -4.7999 -4.7999 -3.4361 -3.4361 3.1551 3.1551 5.3291 5.3291 5.4398 5.4398 5.8322 5.8322 6.0588 6.0588 6.1350 6.1350 7.3982 7.3982 7.5381 7.5381 7.5871 7.5871 8.3965 8.3965 8.4014 8.4014 9.6190 9.6190 11.9737 11.9737 13.9148 13.9148 14.2127 14.2127 k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -5.8766 -5.8766 -5.8729 -5.8729 -5.2927 -5.2927 -5.0415 -5.0415 -4.9725 -4.9725 -4.8001 -4.8001 -3.4353 -3.4353 3.1523 3.1523 5.3292 5.3292 5.4400 5.4400 5.8327 5.8327 6.0588 6.0588 6.1353 6.1353 7.3982 7.3982 7.5373 7.5373 7.5953 7.5953 8.3976 8.3976 8.4023 8.4023 9.6094 9.6094 11.9726 11.9726 13.9128 13.9128 14.2106 14.2106 k = 0.0000 0.0000 0.0000 ( 2817 PWs) bands (ev): -5.8766 -5.8766 -5.8729 -5.8729 -5.2927 -5.2927 -5.0415 -5.0415 -4.9725 -4.9725 -4.8001 -4.8001 -3.4353 -3.4353 3.1523 3.1523 5.3292 5.3292 5.4400 5.4400 5.8327 5.8327 6.0588 6.0588 6.1353 6.1353 7.3982 7.3982 7.5373 7.5373 7.5953 7.5953 8.3976 8.3976 8.4023 8.4023 9.6094 9.6094 11.9726 11.9726 13.9128 13.9128 14.2106 14.2106 k = 0.0059-0.0094-0.0183 ( 2817 PWs) bands (ev): -5.8767 -5.8767 -5.8728 -5.8728 -5.2923 -5.2923 -5.0416 -5.0416 -4.9729 -4.9729 -4.7999 -4.7999 -3.4337 -3.4337 3.1533 3.1533 5.3288 5.3288 5.4394 5.4394 5.8326 5.8326 6.0579 6.0579 6.1350 6.1350 7.3936 7.3936 7.5319 7.5319 7.5934 7.5934 8.3947 8.3947 8.3998 8.3998 9.6201 9.6201 11.9794 11.9794 13.8947 13.8947 14.1678 14.1678 k = 0.0118-0.0189-0.0366 ( 2819 PWs) bands (ev): -5.8771 -5.8771 -5.8727 -5.8727 -5.2909 -5.2909 -5.0416 -5.0416 -4.9738 -4.9738 -4.7993 -4.7993 -3.4289 -3.4289 3.1561 3.1561 5.3278 5.3278 5.4378 5.4378 5.8323 5.8323 6.0553 6.0553 6.1343 6.1343 7.3781 7.3781 7.5167 7.5167 7.5889 7.5889 8.3845 8.3845 8.3942 8.3942 9.6516 9.6516 11.9996 11.9996 13.8379 13.8379 14.1288 14.1288 k = 0.0177-0.0283-0.0548 ( 2825 PWs) bands (ev): -5.8780 -5.8780 -5.8723 -5.8723 -5.2887 -5.2887 -5.0416 -5.0416 -4.9754 -4.9754 -4.7983 -4.7983 -3.4209 -3.4209 3.1607 3.1607 5.3260 5.3260 5.4351 5.4351 5.8319 5.8319 6.0509 6.0509 6.1331 6.1331 7.3474 7.3474 7.4950 7.4950 7.5846 7.5846 8.3669 8.3669 8.3858 8.3858 9.7022 9.7022 12.0325 12.0325 13.7497 13.7497 14.1216 14.1216 k = 0.0236-0.0378-0.0731 ( 2821 PWs) bands (ev): -5.8793 -5.8793 -5.8716 -5.8716 -5.2855 -5.2855 -5.0416 -5.0416 -4.9775 -4.9775 -4.7967 -4.7967 -3.4098 -3.4098 3.1672 3.1672 5.3234 5.3234 5.4313 5.4313 5.8314 5.8314 6.0446 6.0446 6.1314 6.1314 7.2986 7.2986 7.4691 7.4691 7.5834 7.5834 8.3438 8.3438 8.3740 8.3740 9.7695 9.7695 12.0772 12.0772 13.6461 13.6461 14.1363 14.1363 k = 0.0295-0.0472-0.0914 ( 2821 PWs) bands (ev): -5.8811 -5.8811 -5.8708 -5.8708 -5.2816 -5.2816 -5.0415 -5.0415 -4.9800 -4.9800 -4.7947 -4.7947 -3.3958 -3.3958 3.1755 3.1755 5.3199 5.3199 5.4266 5.4266 5.8307 5.8307 6.0366 6.0366 6.1293 6.1293 7.2339 7.2339 7.4376 7.4376 7.5873 7.5873 8.3170 8.3170 8.3582 8.3582 9.8507 9.8507 12.1322 12.1322 13.5371 13.5371 14.1653 14.1653 k = 0.0355-0.0566-0.1097 ( 2821 PWs) bands (ev): -5.8834 -5.8834 -5.8697 -5.8697 -5.2769 -5.2769 -5.0414 -5.0414 -4.9828 -4.9828 -4.7921 -4.7921 -3.3789 -3.3789 3.1855 3.1855 5.3153 5.3153 5.4208 5.4208 5.8300 5.8300 6.0265 6.0265 6.1265 6.1265 7.1574 7.1574 7.3985 7.3985 7.5964 7.5964 8.2881 8.2881 8.3382 8.3382 9.9432 9.9432 12.1962 12.1962 13.4274 13.4274 14.2052 14.2052 k = 0.0414-0.0661-0.1280 ( 2823 PWs) bands (ev): -5.8862 -5.8862 -5.8684 -5.8684 -5.2716 -5.2716 -5.0413 -5.0413 -4.9858 -4.9858 -4.7887 -4.7887 -3.3594 -3.3594 3.1972 3.1972 5.3095 5.3095 5.4140 5.4140 5.8292 5.8292 6.0143 6.0143 6.1232 6.1232 7.0735 7.0735 7.3509 7.3509 7.6095 7.6095 8.2592 8.2592 8.3141 8.3141 10.0446 10.0446 12.2674 12.2674 13.3191 13.3191 14.2549 14.2549 k = 0.0473-0.0755-0.1463 ( 2821 PWs) bands (ev): -5.8894 -5.8894 -5.8671 -5.8671 -5.2657 -5.2657 -5.0412 -5.0412 -4.9888 -4.9888 -4.7847 -4.7847 -3.3372 -3.3372 3.2105 3.2105 5.3025 5.3025 5.4061 5.4061 5.8283 5.8283 5.9999 5.9999 6.1192 6.1192 6.9856 6.9856 7.2949 7.2949 7.6251 7.6251 8.2320 8.2320 8.2857 8.2857 10.1529 10.1529 12.3442 12.3442 13.2137 13.2137 14.3137 14.3137 k = 0.0532-0.0850-0.1645 ( 2815 PWs) bands (ev): -5.8931 -5.8931 -5.8657 -5.8657 -5.2593 -5.2593 -5.0410 -5.0410 -4.9915 -4.9915 -4.7797 -4.7797 -3.3128 -3.3128 3.2254 3.2254 5.2941 5.2941 5.3971 5.3971 5.8272 5.8272 5.9829 5.9829 6.1143 6.1143 6.8968 6.8968 7.2307 7.2307 7.6417 7.6417 8.2080 8.2080 8.2532 8.2532 10.2663 10.2663 12.4249 12.4249 13.1123 13.1123 14.3813 14.3813 k = 0.0591-0.0944-0.1828 ( 2817 PWs) bands (ev): -5.8973 -5.8973 -5.8644 -5.8644 -5.2528 -5.2528 -5.0409 -5.0409 -4.9937 -4.9937 -4.7737 -4.7737 -3.2862 -3.2862 3.2416 3.2416 5.2841 5.2841 5.3865 5.3865 5.8257 5.8257 5.9632 5.9632 6.1085 6.1085 6.8098 6.8098 7.1592 7.1592 7.6575 7.6575 8.1884 8.1884 8.2172 8.2172 10.3835 10.3835 12.5075 12.5075 13.0161 13.0161 14.4574 14.4574 k = 0.0650-0.1038-0.2011 ( 2817 PWs) bands (ev): -5.9020 -5.9020 -5.8630 -5.8630 -5.2462 -5.2462 -5.0409 -5.0409 -4.9953 -4.9953 -4.7665 -4.7665 -3.2575 -3.2575 3.2591 3.2591 5.2725 5.2725 5.3742 5.3742 5.8234 5.8234 5.9407 5.9407 6.1015 6.1015 6.7270 6.7270 7.0813 7.0813 7.6711 7.6711 8.1686 8.1686 8.1835 8.1835 10.5033 10.5033 12.5890 12.5890 12.9276 12.9276 14.5416 14.5416 k = 0.0709-0.1133-0.2194 ( 2813 PWs) bands (ev): -5.9072 -5.9072 -5.8617 -5.8617 -5.2397 -5.2397 -5.0410 -5.0410 -4.9958 -4.9958 -4.7579 -4.7579 -3.2271 -3.2271 3.2777 3.2777 5.2594 5.2594 5.3594 5.3594 5.8191 5.8191 5.9163 5.9163 6.0934 6.0934 6.6506 6.6506 6.9980 6.9980 7.6806 7.6806 8.1284 8.1284 8.1739 8.1739 10.6248 10.6248 12.6599 12.6599 12.8554 12.8554 14.6334 14.6334 k = 0.0768-0.1227-0.2377 ( 2813 PWs) bands (ev): -5.9128 -5.9128 -5.8606 -5.8606 -5.2337 -5.2337 -5.0415 -5.0415 -4.9952 -4.9952 -4.7477 -4.7477 -3.1952 -3.1952 3.2971 3.2971 5.2448 5.2448 5.3414 5.3414 5.8105 5.8105 5.8922 5.8922 6.0841 6.0841 6.5825 6.5825 6.9106 6.9106 7.6849 7.6849 8.0804 8.0804 8.1765 8.1765 10.7470 10.7470 12.6804 12.6804 12.8392 12.8392 14.7322 14.7322 k = 0.0827-0.1321-0.2560 ( 2813 PWs) bands (ev): -5.9189 -5.9189 -5.8595 -5.8595 -5.2283 -5.2283 -5.0423 -5.0423 -4.9933 -4.9933 -4.7357 -4.7357 -3.1618 -3.1618 3.3173 3.3173 5.2286 5.2286 5.3191 5.3191 5.7935 5.7935 5.8730 5.8730 6.0735 6.0735 6.5238 6.5238 6.8203 6.8203 7.6832 7.6832 8.0285 8.0285 8.1879 8.1879 10.8694 10.8694 12.6319 12.6319 12.8968 12.8968 14.8372 14.8372 k = 0.0886-0.1416-0.2742 ( 2817 PWs) bands (ev): -5.9255 -5.9255 -5.8586 -5.8586 -5.2235 -5.2235 -5.0435 -5.0435 -4.9901 -4.9901 -4.7216 -4.7216 -3.1272 -3.1272 3.3378 3.3378 5.2108 5.2108 5.2916 5.2916 5.7663 5.7663 5.8615 5.8615 6.0619 6.0619 6.4746 6.4746 6.7284 6.7284 7.6754 7.6754 7.9731 7.9731 8.2074 8.2074 10.9912 10.9912 12.5672 12.5672 12.9757 12.9757 14.9471 14.9471 k = 0.0946-0.1510-0.2925 ( 2811 PWs) bands (ev): -5.9324 -5.9324 -5.8579 -5.8579 -5.2196 -5.2196 -5.0449 -5.0449 -4.9858 -4.9858 -4.7052 -4.7052 -3.0916 -3.0916 3.3584 3.3584 5.1912 5.1912 5.2581 5.2581 5.7331 5.7331 5.8558 5.8558 6.0494 6.0494 6.4341 6.4341 6.6364 6.6364 7.6619 7.6619 7.9146 7.9146 8.2341 8.2341 11.1119 11.1119 12.5033 12.5033 13.0588 13.0588 15.0604 15.0604 k = 0.1005-0.1605-0.3108 ( 2809 PWs) bands (ev): -5.9398 -5.9398 -5.8573 -5.8573 -5.2165 -5.2165 -5.0467 -5.0467 -4.9805 -4.9805 -4.6863 -4.6863 -3.0552 -3.0552 3.3785 3.3785 5.1690 5.1690 5.2187 5.2187 5.6987 5.6987 5.8527 5.8527 6.0362 6.0362 6.4000 6.4000 6.5465 6.5465 7.6433 7.6433 7.8535 7.8535 8.2665 8.2665 11.2310 11.2310 12.4437 12.4437 13.1425 13.1425 15.1753 15.1753 k = 0.1064-0.1699-0.3291 ( 2811 PWs) bands (ev): -5.9474 -5.9474 -5.8569 -5.8569 -5.2143 -5.2143 -5.0486 -5.0486 -4.9746 -4.9746 -4.6645 -4.6645 -3.0181 -3.0181 3.3978 3.3978 5.1407 5.1407 5.1770 5.1770 5.6661 5.6661 5.8504 5.8504 6.0226 6.0226 6.3669 6.3669 6.4641 6.4641 7.6203 7.6203 7.7901 7.7901 8.3034 8.3034 11.3476 11.3476 12.3898 12.3898 13.2258 13.2258 15.2892 15.2892 k = 0.1123-0.1793-0.3474 ( 2809 PWs) bands (ev): -5.9554 -5.9554 -5.8567 -5.8567 -5.2128 -5.2128 -5.0506 -5.0506 -4.9683 -4.9683 -4.6399 -4.6399 -2.9807 -2.9807 3.4156 3.4156 5.0982 5.0982 5.1425 5.1425 5.6370 5.6370 5.8478 5.8478 6.0085 6.0085 6.3197 6.3197 6.4039 6.4039 7.5935 7.5935 7.7249 7.7249 8.3438 8.3438 11.4610 11.4610 12.3428 12.3428 13.3084 13.3084 15.3989 15.3989 k = 0.1182-0.1888-0.3657 ( 2807 PWs) bands (ev): -5.9636 -5.9636 -5.8567 -5.8567 -5.2119 -5.2119 -5.0528 -5.0528 -4.9619 -4.9619 -4.6122 -4.6122 -2.9429 -2.9429 3.4312 3.4312 5.0433 5.0433 5.1148 5.1148 5.6116 5.6116 5.8436 5.8436 5.9942 5.9942 6.2512 6.2512 6.3738 6.3738 7.5631 7.5631 7.6589 7.6589 8.3866 8.3866 11.5698 11.5698 12.3036 12.3036 13.3900 13.3900 15.4999 15.4999 k = 0.1241-0.1982-0.3839 ( 2807 PWs) bands (ev): -5.9719 -5.9719 -5.8570 -5.8570 -5.2116 -5.2116 -5.0551 -5.0551 -4.9557 -4.9557 -4.5815 -4.5815 -2.9051 -2.9051 3.4439 3.4439 4.9840 4.9840 5.0884 5.0884 5.5893 5.5893 5.8361 5.8361 5.9796 5.9796 6.1785 6.1785 6.3577 6.3577 7.5285 7.5285 7.5935 7.5935 8.4310 8.4310 11.6718 11.6718 12.2744 12.2744 13.4707 13.4707 15.5859 15.5859 k = 0.1300-0.2077-0.4022 ( 2809 PWs) bands (ev): -5.9804 -5.9804 -5.8574 -5.8574 -5.2118 -5.2118 -5.0574 -5.0574 -4.9497 -4.9497 -4.5478 -4.5478 -2.8675 -2.8675 3.4525 3.4525 4.9245 4.9245 5.0613 5.0613 5.5694 5.5694 5.8230 5.8230 5.9647 5.9647 6.1123 6.1123 6.3473 6.3473 7.4867 7.4867 7.5326 7.5326 8.4763 8.4763 11.7634 11.7634 12.2587 12.2587 13.5502 13.5502 15.6488 15.6488 k = 0.1359-0.2171-0.4205 ( 2809 PWs) bands (ev): -5.9890 -5.9890 -5.8581 -5.8581 -5.2122 -5.2122 -5.0599 -5.0599 -4.9440 -4.9440 -4.5111 -4.5111 -2.8301 -2.8301 3.4563 3.4563 4.8676 4.8676 5.0330 5.0330 5.5509 5.5509 5.8012 5.8012 5.9496 5.9496 6.0584 6.0584 6.3397 6.3397 7.4325 7.4325 7.4823 7.4823 8.5219 8.5219 11.8388 11.8388 12.2618 12.2618 13.6287 13.6287 15.6797 15.6797 k = 0.1418-0.2265-0.4388 ( 2811 PWs) bands (ev): -5.9976 -5.9976 -5.8589 -5.8589 -5.2129 -5.2129 -5.0624 -5.0624 -4.9387 -4.9387 -4.4717 -4.4717 -2.7933 -2.7933 3.4541 3.4541 4.8154 4.8154 5.0029 5.0029 5.5331 5.5331 5.7688 5.7688 5.9344 5.9344 6.0197 6.0197 6.3338 6.3338 7.3696 7.3696 7.4398 7.4398 8.5671 8.5671 11.8919 11.8919 12.2899 12.2899 13.7059 13.7059 15.6755 15.6755 k = 0.1477-0.2360-0.4571 ( 2809 PWs) bands (ev): -6.0060 -6.0060 -5.8600 -5.8600 -5.2137 -5.2137 -5.0650 -5.0650 -4.9338 -4.9338 -4.4296 -4.4296 -2.7571 -2.7571 3.4451 3.4451 4.7698 4.7698 4.9707 4.9707 5.5150 5.5150 5.7280 5.7280 5.9190 5.9190 5.9955 5.9955 6.3290 6.3290 7.3047 7.3047 7.3994 7.3994 8.6115 8.6115 11.9213 11.9213 12.3441 12.3441 13.7818 13.7818 15.6425 15.6425 k = 0.1537-0.2454-0.4753 ( 2811 PWs) bands (ev): -6.0144 -6.0144 -5.8613 -5.8613 -5.2146 -5.2146 -5.0678 -5.0678 -4.9293 -4.9293 -4.3850 -4.3850 -2.7217 -2.7217 3.4287 3.4287 4.7320 4.7320 4.9364 4.9364 5.4959 5.4959 5.6838 5.6838 5.9030 5.9030 5.9818 5.9818 6.3248 6.3248 7.2407 7.2407 7.3591 7.3591 8.6546 8.6546 11.9331 11.9331 12.4179 12.4179 13.8561 13.8561 15.5865 15.5865 k = 0.1596-0.2549-0.4936 ( 2809 PWs) bands (ev): -6.0226 -6.0226 -5.8628 -5.8628 -5.2155 -5.2155 -5.0706 -5.0706 -4.9251 -4.9251 -4.3380 -4.3380 -2.6875 -2.6875 3.4044 3.4044 4.7026 4.7026 4.8997 4.8997 5.4750 5.4750 5.6411 5.6411 5.8860 5.8860 5.9748 5.9748 6.3208 6.3208 7.1788 7.1788 7.3186 7.3186 8.6959 8.6959 11.9352 11.9352 12.5035 12.5035 13.9285 13.9285 15.5060 15.5060 k = 0.1655-0.2643-0.5119 ( 2806 PWs) bands (ev): -6.0305 -6.0305 -5.8645 -5.8645 -5.2165 -5.2165 -5.0735 -5.0735 -4.9214 -4.9214 -4.2889 -4.2889 -2.6544 -2.6544 3.3724 3.3724 4.6817 4.6817 4.8607 4.8607 5.4522 5.4522 5.6027 5.6027 5.8680 5.8680 5.9719 5.9719 6.3170 6.3170 7.1200 7.1200 7.2777 7.2777 8.7349 8.7349 11.9329 11.9329 12.5952 12.5952 13.9986 13.9986 15.3981 15.3981 k = 0.1714-0.2737-0.5302 ( 2804 PWs) bands (ev): -6.0381 -6.0381 -5.8664 -5.8664 -5.2174 -5.2174 -5.0765 -5.0765 -4.9179 -4.9179 -4.2378 -4.2378 -2.6228 -2.6228 3.3333 3.3333 4.6688 4.6688 4.8196 4.8196 5.4276 5.4276 5.5699 5.5699 5.8490 5.8490 5.9713 5.9713 6.3132 6.3132 7.0651 7.0651 7.2366 7.2366 8.7712 8.7712 11.9293 11.9293 12.6899 12.6899 14.0661 14.0661 15.2706 15.2706 k = 0.1773-0.2832-0.5485 ( 2804 PWs) bands (ev): -6.0454 -6.0454 -5.8686 -5.8686 -5.2183 -5.2183 -5.0797 -5.0797 -4.9148 -4.9148 -4.1848 -4.1848 -2.5927 -2.5927 3.2879 3.2879 4.6625 4.6625 4.7769 4.7769 5.4022 5.4022 5.5423 5.5423 5.8289 5.8289 5.9719 5.9719 6.3096 6.3096 7.0147 7.0147 7.1957 7.1957 8.8043 8.8043 11.9258 11.9258 12.7858 12.7858 14.1305 14.1305 15.1339 15.1339 k = 0.1832-0.2926-0.5668 ( 2804 PWs) bands (ev): -6.0523 -6.0523 -5.8710 -5.8710 -5.2191 -5.2191 -5.0830 -5.0830 -4.9120 -4.9120 -4.1303 -4.1303 -2.5644 -2.5644 3.2374 3.2374 4.6613 4.6613 4.7336 4.7336 5.3774 5.3774 5.5188 5.5188 5.8078 5.8078 5.9730 5.9730 6.3062 6.3062 6.9691 6.9691 7.1552 7.1552 8.8339 8.8339 11.9234 11.9234 12.8821 12.8821 14.1910 14.1910 14.9937 14.9937 k = 0.1891-0.3020-0.5850 ( 2802 PWs) bands (ev): -6.0587 -6.0587 -5.8736 -5.8736 -5.2198 -5.2198 -5.0864 -5.0864 -4.9094 -4.9094 -4.0742 -4.0742 -2.5381 -2.5381 3.1830 3.1830 4.6604 4.6604 4.6934 4.6934 5.3542 5.3542 5.4982 5.4982 5.7859 5.7859 5.9744 5.9744 6.3034 6.3034 6.9285 6.9285 7.1155 7.1155 8.8596 8.8596 11.9224 11.9224 12.9780 12.9780 14.2472 14.2472 14.8530 14.8530 k = 0.1950-0.3115-0.6033 ( 2794 PWs) bands (ev): -6.0646 -6.0646 -5.8765 -5.8765 -5.2204 -5.2204 -5.0899 -5.0899 -4.9070 -4.9070 -4.0168 -4.0168 -2.5138 -2.5138 3.1258 3.1258 4.6362 4.6362 4.6789 4.6789 5.3329 5.3329 5.4797 5.4797 5.7635 5.7635 5.9755 5.9755 6.3016 6.3016 6.8929 6.8929 7.0770 7.0770 8.8810 8.8810 11.9230 11.9230 13.0734 13.0734 14.2980 14.2980 14.7139 14.7139 k = 0.2009-0.3209-0.6216 ( 2788 PWs) bands (ev): -6.0700 -6.0700 -5.8795 -5.8795 -5.2210 -5.2210 -5.0935 -5.0935 -4.9049 -4.9049 -3.9583 -3.9583 -2.4918 -2.4918 3.0668 3.0668 4.5950 4.5950 4.6827 4.6827 5.3136 5.3136 5.4629 5.4629 5.7410 5.7410 5.9765 5.9765 6.3011 6.3011 6.8619 6.8619 7.0404 7.0404 8.8978 8.8978 11.9252 11.9252 13.1678 13.1678 14.3406 14.3406 14.5798 14.5798 k = 0.2068-0.3304-0.6399 ( 2794 PWs) bands (ev): -6.0749 -6.0749 -5.8829 -5.8829 -5.2214 -5.2214 -5.0972 -5.0972 -4.9030 -4.9030 -3.8988 -3.8988 -2.4722 -2.4722 3.0072 3.0072 4.5532 4.5532 4.6874 4.6874 5.2959 5.2959 5.4477 5.4477 5.7190 5.7190 5.9771 5.9771 6.3024 6.3024 6.8348 6.8348 7.0064 7.0064 8.9096 8.9096 11.9291 11.9291 13.2612 13.2612 14.3547 14.3547 14.4719 14.4719 k = 0.2127-0.3398-0.6582 ( 2800 PWs) bands (ev): -6.0792 -6.0792 -5.8866 -5.8866 -5.2218 -5.2218 -5.1011 -5.1011 -4.9014 -4.9014 -3.8386 -3.8386 -2.4552 -2.4552 2.9475 2.9475 4.5129 4.5129 4.6898 4.6898 5.2793 5.2793 5.4344 5.4344 5.6981 5.6981 5.9776 5.9776 6.3056 6.3056 6.8106 6.8106 6.9759 6.9759 8.9162 8.9162 11.9347 11.9347 13.3532 13.3532 14.2705 14.2705 14.4610 14.4610 k = 0.2187-0.3492-0.6765 ( 2800 PWs) bands (ev): -6.0829 -6.0829 -5.8904 -5.8904 -5.2220 -5.2220 -5.1051 -5.1051 -4.8999 -4.8999 -3.7777 -3.7777 -2.4408 -2.4408 2.8887 2.8887 4.4749 4.4749 4.6883 4.6883 5.2629 5.2629 5.4235 5.4235 5.6791 5.6791 5.9782 5.9782 6.3111 6.3111 6.7884 6.7884 6.9501 6.9501 8.9175 8.9175 11.9418 11.9418 13.4431 13.4431 14.1460 14.1460 14.4910 14.4910 k = 0.2246-0.3587-0.6947 ( 2794 PWs) bands (ev): -6.0859 -6.0859 -5.8945 -5.8945 -5.2221 -5.2221 -5.1091 -5.1091 -4.8985 -4.8985 -3.7164 -3.7164 -2.4291 -2.4291 2.8313 2.8313 4.4398 4.4398 4.6817 4.6817 5.2460 5.2460 5.4156 5.4156 5.6625 5.6625 5.9790 5.9790 6.3187 6.3187 6.7668 6.7668 6.9302 6.9302 8.9133 8.9133 11.9505 11.9505 13.5297 13.5297 14.0199 14.0199 14.5259 14.5259 k = 0.2305-0.3681-0.7130 ( 2796 PWs) bands (ev): -6.0883 -6.0883 -5.8989 -5.8989 -5.2221 -5.2221 -5.1132 -5.1132 -4.8973 -4.8973 -3.6548 -3.6548 -2.4203 -2.4203 2.7757 2.7757 4.4077 4.4077 4.6694 4.6694 5.2276 5.2276 5.4112 5.4112 5.6486 5.6486 5.9804 5.9804 6.3283 6.3283 6.7450 6.7450 6.9171 6.9171 8.9035 8.9035 11.9605 11.9605 13.6074 13.6074 13.9021 13.9021 14.5623 14.5623 k = 0.2364-0.3776-0.7313 ( 2798 PWs) bands (ev): -6.0900 -6.0900 -5.9035 -5.9035 -5.2220 -5.2220 -5.1174 -5.1174 -4.8963 -4.8963 -3.5931 -3.5931 -2.4145 -2.4145 2.7225 2.7225 4.3790 4.3790 4.6510 4.6510 5.2071 5.2071 5.4107 5.4107 5.6376 5.6376 5.9825 5.9825 6.3396 6.3396 6.7228 6.7228 6.9112 6.9112 8.8882 8.8882 11.9720 11.9720 13.6459 13.6459 13.8239 13.8239 14.6005 14.6005 k = 0.2423-0.3870-0.7496 ( 2800 PWs) bands (ev): -6.0910 -6.0910 -5.9084 -5.9084 -5.2218 -5.2218 -5.1217 -5.1217 -4.8954 -4.8954 -3.5315 -3.5315 -2.4117 -2.4117 2.6719 2.6719 4.3539 4.3539 4.6267 4.6267 5.1842 5.1842 5.4140 5.4140 5.6292 5.6292 5.9856 5.9856 6.3523 6.3523 6.7005 6.7005 6.9126 6.9126 8.8673 8.8673 11.9848 11.9848 13.5820 13.5820 13.8489 13.8489 14.6411 14.6411 k = 0.2482-0.3964-0.7679 ( 2798 PWs) bands (ev): -6.0914 -6.0914 -5.9136 -5.9136 -5.2215 -5.2215 -5.1260 -5.1260 -4.8947 -4.8947 -3.4702 -3.4702 -2.4118 -2.4118 2.6243 2.6243 4.3324 4.3324 4.5972 4.5972 5.1587 5.1587 5.4211 5.4211 5.6232 5.6232 5.9897 5.9897 6.3658 6.3658 6.6787 6.6787 6.9212 6.9212 8.8410 8.8410 11.9988 11.9988 13.4720 13.4720 13.9208 13.9208 14.6846 14.6846 k = 0.2541-0.4059-0.7862 ( 2804 PWs) bands (ev): -6.0910 -6.0910 -5.9191 -5.9191 -5.2211 -5.2211 -5.1303 -5.1303 -4.8940 -4.8940 -3.4094 -3.4094 -2.4151 -2.4151 2.5799 2.5799 4.3146 4.3146 4.5631 4.5631 5.1308 5.1308 5.4316 5.4316 5.6189 5.6189 5.9949 5.9949 6.3794 6.3794 6.6581 6.6581 6.9367 6.9367 8.8095 8.8095 12.0140 12.0140 13.3547 13.3547 14.0009 14.0009 14.7311 14.7311 k = 0.2600-0.4153-0.8044 ( 2800 PWs) bands (ev): -6.0899 -6.0899 -5.9248 -5.9248 -5.2205 -5.2205 -5.1346 -5.1346 -4.8935 -4.8935 -3.3493 -3.3493 -2.4214 -2.4214 2.5390 2.5390 4.3005 4.3005 4.5254 4.5254 5.1005 5.1005 5.4449 5.4449 5.6162 5.6162 6.0011 6.0011 6.3927 6.3927 6.6394 6.6394 6.9590 6.9590 8.7729 8.7729 12.0304 12.0304 13.2366 13.2366 14.0824 14.0824 14.7803 14.7803 k = 0.2659-0.4248-0.8227 ( 2796 PWs) bands (ev): -6.0881 -6.0881 -5.9307 -5.9307 -5.2197 -5.2197 -5.1389 -5.1389 -4.8930 -4.8930 -3.2899 -3.2899 -2.4306 -2.4306 2.5017 2.5017 4.2900 4.2900 4.4851 4.4851 5.0681 5.0681 5.4606 5.4606 5.6147 5.6147 6.0082 6.0082 6.4048 6.4048 6.6231 6.6231 6.9880 6.9880 8.7316 8.7316 12.0477 12.0477 13.1197 13.1197 14.1634 14.1634 14.8310 14.8310 k = 0.2718-0.4342-0.8410 ( 2804 PWs) bands (ev): -6.0857 -6.0857 -5.9370 -5.9370 -5.2190 -5.2190 -5.1433 -5.1433 -4.8927 -4.8927 -3.2316 -3.2316 -2.4429 -2.4429 2.4680 2.4680 4.2830 4.2830 4.4431 4.4431 5.0339 5.0339 5.4778 5.4778 5.6145 5.6145 6.0160 6.0160 6.4153 6.4153 6.6096 6.6096 7.0236 7.0236 8.6857 8.6857 12.0659 12.0659 13.0046 13.0046 14.2431 14.2431 14.8806 14.8806 k = 0.2778-0.4436-0.8593 ( 2808 PWs) bands (ev): -6.0826 -6.0826 -5.9435 -5.9435 -5.2181 -5.2181 -5.1475 -5.1475 -4.8925 -4.8925 -3.1745 -3.1745 -2.4581 -2.4581 2.4381 2.4381 4.2792 4.2792 4.4005 4.4005 4.9980 4.9980 5.4955 5.4955 5.6162 5.6162 6.0243 6.0243 6.4237 6.4237 6.5994 6.5994 7.0656 7.0656 8.6356 8.6356 12.0847 12.0847 12.8918 12.8918 14.3210 14.3210 14.9241 14.9241 k = 0.2837-0.4531-0.8776 ( 2806 PWs) bands (ev): -6.0789 -6.0789 -5.9503 -5.9503 -5.2171 -5.2171 -5.1517 -5.1517 -4.8923 -4.8923 -3.1188 -3.1188 -2.4761 -2.4761 2.4120 2.4120 4.2782 4.2782 4.3584 4.3584 4.9609 4.9609 5.5120 5.5120 5.6210 5.6210 6.0331 6.0331 6.4301 6.4301 6.5925 6.5925 7.1138 7.1138 8.5817 8.5817 12.1036 12.1036 12.7818 12.7818 14.3967 14.3967 14.9518 14.9518 k = 0.2896-0.4625-0.8958 ( 2810 PWs) bands (ev): -6.0745 -6.0745 -5.9573 -5.9573 -5.2160 -5.2160 -5.1557 -5.1557 -4.8921 -4.8921 -3.0646 -3.0646 -2.4968 -2.4968 2.3896 2.3896 4.2780 4.2780 4.3191 4.3191 4.9227 4.9227 5.5252 5.5252 5.6303 5.6303 6.0422 6.0422 6.4344 6.4344 6.5891 6.5891 7.1676 7.1676 8.5242 8.5242 12.1216 12.1216 12.6757 12.6757 14.4695 14.4695 14.9508 14.9508 k = 0.2955-0.4720-0.9141 ( 2808 PWs) bands (ev): -6.0695 -6.0695 -5.9644 -5.9644 -5.2148 -5.2148 -5.1596 -5.1596 -4.8920 -4.8920 -3.0121 -3.0121 -2.5202 -2.5202 2.3710 2.3710 4.2646 4.2646 4.2971 4.2971 4.8839 4.8839 5.5336 5.5336 5.6454 5.6454 6.0517 6.0517 6.4374 6.4374 6.5888 6.5888 7.2264 7.2264 8.4636 8.4636 12.1366 12.1366 12.5754 12.5754 14.5390 14.5390 14.9148 14.9148 k = 0.3014-0.4814-0.9324 ( 2806 PWs) bands (ev): -6.0640 -6.0640 -5.9717 -5.9717 -5.2135 -5.2135 -5.1632 -5.1632 -4.8920 -4.8920 -2.9614 -2.9614 -2.5460 -2.5460 2.3558 2.3558 4.2309 4.2309 4.2999 4.2999 4.8448 4.8448 5.5372 5.5372 5.6656 5.6656 6.0617 6.0617 6.4397 6.4397 6.5914 6.5914 7.2897 7.2897 8.4001 8.4001 12.1439 12.1439 12.4860 12.4860 14.6043 14.6043 14.8518 14.8518 k = 0.3073-0.4908-0.9507 ( 2802 PWs) bands (ev): -6.0581 -6.0581 -5.9791 -5.9791 -5.2122 -5.2122 -5.1665 -5.1665 -4.8919 -4.8919 -2.9126 -2.9126 -2.5741 -2.5741 2.3440 2.3440 4.1960 4.1960 4.3083 4.3083 4.8060 4.8060 5.5371 5.5371 5.6892 5.6892 6.0722 6.0722 6.4420 6.4420 6.5968 6.5968 7.3567 7.3567 8.3340 8.3340 12.1329 12.1329 12.4176 12.4176 14.6625 14.6625 14.7754 14.7754 k = 0.3132-0.5003-0.9690 ( 2794 PWs) bands (ev): -6.0519 -6.0519 -5.9864 -5.9864 -5.2110 -5.2110 -5.1693 -5.1693 -4.8919 -4.8919 -2.8660 -2.8660 -2.6044 -2.6044 2.3353 2.3353 4.1637 4.1637 4.3186 4.3186 4.7681 4.7681 5.5346 5.5346 5.7142 5.7142 6.0834 6.0834 6.4451 6.4451 6.6049 6.6049 7.4269 7.4269 8.2657 8.2657 12.0906 12.0906 12.3834 12.3834 14.6675 14.6675 14.7385 14.7385 k = 0.3191-0.5097-0.9873 ( 2796 PWs) bands (ev): -6.0457 -6.0457 -5.9934 -5.9934 -5.2100 -5.2100 -5.1717 -5.1717 -4.8919 -4.8919 -2.8215 -2.8215 -2.6366 -2.6366 2.3293 2.3293 4.1349 4.1349 4.3296 4.3296 4.7319 4.7319 5.5305 5.5305 5.7389 5.7389 6.0953 6.0953 6.4494 6.4494 6.6160 6.6160 7.4996 7.4996 8.1955 8.1955 12.0184 12.0184 12.3821 12.3821 14.5824 14.5824 14.7816 14.7816 k = 0.3250-0.5191-1.0055 ( 2794 PWs) bands (ev): -6.0401 -6.0401 -5.9995 -5.9995 -5.2092 -5.2092 -5.1734 -5.1734 -4.8919 -4.8919 -2.7794 -2.7794 -2.6706 -2.6706 2.3258 2.3258 4.1106 4.1106 4.3399 4.3399 4.6986 4.6986 5.5253 5.5253 5.7621 5.7621 6.1080 6.1080 6.4552 6.4552 6.6306 6.6306 7.5741 7.5741 8.1237 8.1237 11.9290 11.9290 12.4006 12.4006 14.4880 14.4880 14.8253 14.8253 k = 0.3309-0.5286-1.0238 ( 2794 PWs) bands (ev): -6.0366 -6.0366 -6.0033 -6.0033 -5.2088 -5.2088 -5.1743 -5.1743 -4.8919 -4.8919 -2.7408 -2.7408 -2.7051 -2.7051 2.3244 2.3244 4.0911 4.0911 4.3478 4.3478 4.6699 4.6699 5.5194 5.5194 5.7829 5.7829 6.1213 6.1213 6.4625 6.4625 6.6498 6.6498 7.6499 7.6499 8.0507 8.0507 11.8316 11.8316 12.4301 12.4301 14.3915 14.3915 14.8630 14.8630 k = 0.3368-0.5380-1.0421 ( 2798 PWs) bands (ev): -6.0371 -6.0371 -6.0029 -6.0029 -5.2088 -5.2088 -5.1742 -5.1742 -4.8919 -4.8919 -2.7463 -2.7463 -2.6992 -2.6992 2.3245 2.3245 4.0770 4.0770 4.3511 4.3511 4.6479 4.6479 5.5130 5.5130 5.8004 5.8004 6.1347 6.1347 6.4710 6.4710 6.6745 6.6745 7.7262 7.7262 7.9768 7.9768 11.7300 11.7300 12.4664 12.4664 14.2943 14.2943 14.8933 14.8933 k = 0.3428-0.5475-1.0604 ( 2796 PWs) bands (ev): -6.0416 -6.0416 -5.9982 -5.9982 -5.2094 -5.2094 -5.1731 -5.1731 -4.8919 -4.8919 -2.7841 -2.7841 -2.6647 -2.6647 2.3258 2.3258 4.0689 4.0689 4.3478 4.3478 4.6347 4.6347 5.5063 5.5063 5.8145 5.8145 6.1479 6.1479 6.4802 6.4802 6.7061 6.7061 7.8010 7.8010 7.9038 7.9038 11.6261 11.6261 12.5078 12.5078 14.1970 14.1970 14.9156 14.9156 k = 0.6572-0.4039-0.9729 ( 2796 PWs) bands (ev): -6.0416 -6.0416 -5.9982 -5.9982 -5.2094 -5.2094 -5.1731 -5.1731 -4.8919 -4.8919 -2.7841 -2.7841 -2.6647 -2.6647 2.3258 2.3258 4.0689 4.0689 4.3478 4.3478 4.6347 4.6347 5.5063 5.5063 5.8145 5.8145 6.1479 6.1479 6.4802 6.4802 6.7061 6.7061 7.8010 7.8010 7.9038 7.9038 11.6261 11.6261 12.5078 12.5078 14.1970 14.1970 14.9156 14.9156 k = 0.6514-0.3836-0.9729 ( 2800 PWs) bands (ev): -6.0483 -6.0483 -5.9911 -5.9911 -5.2103 -5.2103 -5.1711 -5.1711 -4.8919 -4.8919 -2.8232 -2.8232 -2.6323 -2.6323 2.3277 2.3277 4.0672 4.0672 4.3367 4.3367 4.6317 4.6317 5.4995 5.4995 5.8250 5.8250 6.1601 6.1601 6.4891 6.4891 6.7448 6.7448 7.8190 7.8190 7.8868 7.8868 11.5222 11.5222 12.5529 12.5529 14.1013 14.1013 14.9291 14.9291 k = 0.6456-0.3633-0.9729 ( 2804 PWs) bands (ev): -6.0561 -6.0561 -5.9828 -5.9828 -5.2116 -5.2116 -5.1682 -5.1682 -4.8918 -4.8918 -2.8634 -2.8634 -2.6019 -2.6019 2.3298 2.3298 4.0720 4.0720 4.3182 4.3182 4.6382 4.6382 5.4926 5.4926 5.8324 5.8324 6.1712 6.1712 6.4975 6.4975 6.7916 6.7916 7.7481 7.7481 7.9576 7.9576 11.4171 11.4171 12.6018 12.6018 14.0061 14.0061 14.9342 14.9342 k = 0.6398-0.3430-0.9729 ( 2810 PWs) bands (ev): -6.0643 -6.0643 -5.9739 -5.9739 -5.2130 -5.2130 -5.1647 -5.1647 -4.8917 -4.8917 -2.9045 -2.9045 -2.5736 -2.5736 2.3316 2.3316 4.0834 4.0834 4.2941 4.2941 4.6526 4.6526 5.4856 5.4856 5.8369 5.8369 6.1812 6.1812 6.5049 6.5049 6.8463 6.8463 7.6735 7.6735 8.0310 8.0310 11.3111 11.3111 12.6544 12.6544 13.9114 13.9114 14.9307 14.9307 k = 0.6339-0.3227-0.9729 ( 2814 PWs) bands (ev): -6.0729 -6.0729 -5.9646 -5.9646 -5.2145 -5.2145 -5.1604 -5.1604 -4.8916 -4.8916 -2.9461 -2.9461 -2.5474 -2.5474 2.3329 2.3329 4.1015 4.1015 4.2665 4.2665 4.6731 4.6731 5.4786 5.4786 5.8391 5.8391 6.1899 6.1899 6.5111 6.5111 6.9085 6.9085 7.5985 7.5985 8.1034 8.1034 11.2042 11.2042 12.7106 12.7106 13.8173 13.8173 14.9191 14.9191 k = 0.6281-0.3025-0.9729 ( 2812 PWs) bands (ev): -6.0815 -6.0815 -5.9551 -5.9551 -5.2160 -5.2160 -5.1554 -5.1554 -4.8914 -4.8914 -2.9881 -2.9881 -2.5233 -2.5233 2.3334 2.3334 4.1255 4.1255 4.2378 4.2378 4.6980 4.6980 5.4718 5.4718 5.8394 5.8394 6.1976 6.1976 6.5162 6.5162 6.9773 6.9773 7.5238 7.5238 8.1741 8.1741 11.0966 11.0966 12.7702 12.7702 13.7238 13.7238 14.9000 14.9000 k = 0.6223-0.2822-0.9729 ( 2812 PWs) bands (ev): -6.0902 -6.0902 -5.9456 -5.9456 -5.2174 -5.2174 -5.1499 -5.1499 -4.8911 -4.8911 -3.0304 -3.0304 -2.5011 -2.5011 2.3328 2.3328 4.1507 4.1507 4.2140 4.2140 4.7262 4.7262 5.4652 5.4652 5.8379 5.8379 6.2044 6.2044 6.5200 6.5200 7.0517 7.0517 7.4501 7.4501 8.2427 8.2427 10.9884 10.9884 12.8331 12.8331 13.6310 13.6310 14.8742 14.8742 k = 0.6165-0.2619-0.9729 ( 2816 PWs) bands (ev): -6.0988 -6.0988 -5.9360 -5.9360 -5.2188 -5.2188 -5.1439 -5.1439 -4.8908 -4.8908 -3.0728 -3.0728 -2.4808 -2.4808 2.3310 2.3310 4.1522 4.1522 4.2204 4.2204 4.7569 4.7569 5.4588 5.4588 5.8352 5.8352 6.2103 6.2103 6.5227 6.5227 7.1293 7.1293 7.3789 7.3789 8.3088 8.3088 10.8797 10.8797 12.8990 12.8990 13.5389 13.5389 14.8428 14.8428 k = 0.6107-0.2416-0.9729 ( 2820 PWs) bands (ev): -6.1074 -6.1074 -5.9266 -5.9266 -5.2200 -5.2200 -5.1373 -5.1373 -4.8905 -4.8905 -3.1150 -3.1150 -2.4623 -2.4623 2.3281 2.3281 4.1273 4.1273 4.2602 4.2602 4.7894 4.7894 5.4528 5.4528 5.8315 5.8315 6.2156 6.2156 6.5241 6.5241 7.2000 7.2000 7.3199 7.3199 8.3721 8.3721 10.7708 10.7708 12.9674 12.9674 13.4479 13.4479 14.8069 14.8069 k = 0.6048-0.2214-0.9729 ( 2816 PWs) bands (ev): -6.1157 -6.1157 -5.9173 -5.9173 -5.2211 -5.2211 -5.1302 -5.1302 -4.8900 -4.8900 -3.1569 -3.1569 -2.4454 -2.4454 2.3239 2.3239 4.0975 4.0975 4.3118 4.3118 4.8233 4.8233 5.4471 5.4471 5.8271 5.8271 6.2204 6.2204 6.5243 6.5243 7.1997 7.1997 7.3365 7.3365 8.4322 8.4322 10.6621 10.6621 13.0368 13.0368 13.3590 13.3590 14.7679 14.7679 k = 0.5990-0.2011-0.9729 ( 2820 PWs) bands (ev): -6.1240 -6.1240 -5.9083 -5.9083 -5.2221 -5.2221 -5.1227 -5.1227 -4.8895 -4.8895 -3.1984 -3.1984 -2.4302 -2.4302 2.3187 2.3187 4.0674 4.0674 4.3706 4.3706 4.8584 4.8584 5.4421 5.4421 5.8221 5.8221 6.2247 6.2247 6.5233 6.5233 7.1385 7.1385 7.4180 7.4180 8.4889 8.4889 10.5537 10.5537 13.1010 13.1010 13.2781 13.2781 14.7271 14.7271 k = 0.5932-0.1808-0.9729 ( 2820 PWs) bands (ev): -6.1319 -6.1319 -5.8995 -5.8995 -5.2230 -5.2230 -5.1148 -5.1148 -4.8889 -4.8889 -3.2391 -3.2391 -2.4165 -2.4165 2.3126 2.3126 4.0378 4.0378 4.4352 4.4352 4.8942 4.8942 5.4377 5.4377 5.8168 5.8168 6.2286 6.2286 6.5208 6.5208 7.0699 7.0699 7.5105 7.5105 8.5418 8.5418 10.4464 10.4464 13.1190 13.1190 13.2458 13.2458 14.6858 14.6858 k = 0.5874-0.1605-0.9729 ( 2816 PWs) bands (ev): -6.1396 -6.1396 -5.8911 -5.8911 -5.2237 -5.2237 -5.1065 -5.1065 -4.8882 -4.8882 -3.2790 -3.2790 -2.4042 -2.4042 2.3057 2.3057 4.0092 4.0092 4.5048 4.5048 4.9305 4.9305 5.4342 5.4342 5.8114 5.8114 6.2322 6.2322 6.5168 6.5168 7.0008 7.0008 7.6069 7.6069 8.5906 8.5906 10.3405 10.3405 13.0536 13.0536 13.2985 13.2985 14.6451 14.6451 k = 0.5815-0.1403-0.9729 ( 2810 PWs) bands (ev): -6.1470 -6.1470 -5.8831 -5.8831 -5.2243 -5.2243 -5.0979 -5.0979 -4.8874 -4.8874 -3.3178 -3.3178 -2.3931 -2.3931 2.2982 2.2982 3.9819 3.9819 4.5784 4.5784 4.9671 4.9671 5.4318 5.4318 5.8061 5.8061 6.2352 6.2352 6.5112 6.5112 6.9324 6.9324 7.7051 7.7051 8.6351 8.6351 10.2368 10.2368 12.9676 12.9676 13.3727 13.3727 14.6064 14.6064 k = 0.5757-0.1200-0.9729 ( 2804 PWs) bands (ev): -6.1540 -6.1540 -5.8755 -5.8755 -5.2248 -5.2248 -5.0891 -5.0891 -4.8865 -4.8865 -3.3554 -3.3554 -2.3833 -2.3833 2.2903 2.2903 3.9561 3.9561 4.6552 4.6552 5.0036 5.0036 5.4308 5.4308 5.8010 5.8010 6.2378 6.2378 6.5036 6.5036 6.8655 6.8655 7.8041 7.8041 8.6750 8.6750 10.1360 10.1360 12.8779 12.8779 13.4505 13.4505 14.5704 14.5704 k = 0.5699-0.0997-0.9729 ( 2810 PWs) bands (ev): -6.1607 -6.1607 -5.8685 -5.8685 -5.2252 -5.2252 -5.0802 -5.0802 -4.8856 -4.8856 -3.3915 -3.3915 -2.3745 -2.3745 2.2823 2.2823 3.9317 3.9317 4.7341 4.7341 5.0397 5.0397 5.4315 5.4315 5.7962 5.7962 6.2399 6.2399 6.4939 6.4939 6.8005 6.8005 7.9029 7.9029 8.7099 8.7099 10.0392 10.0392 12.7875 12.7875 13.5279 13.5279 14.5376 14.5376 k = 0.5641-0.0794-0.9729 ( 2804 PWs) bands (ev): -6.1669 -6.1669 -5.8619 -5.8619 -5.2255 -5.2255 -5.0713 -5.0713 -4.8846 -4.8846 -3.4258 -3.4258 -2.3668 -2.3668 2.2742 2.2742 3.9091 3.9091 4.8140 4.8140 5.0751 5.0751 5.4344 5.4344 5.7919 5.7919 6.2413 6.2413 6.4817 6.4817 6.7382 6.7382 8.0007 8.0007 8.7395 8.7395 9.9472 9.9472 12.6975 12.6975 13.6023 13.6023 14.5071 14.5071 k = 0.5582-0.0592-0.9729 ( 2808 PWs) bands (ev): -6.1728 -6.1728 -5.8558 -5.8558 -5.2258 -5.2258 -5.0626 -5.0626 -4.8835 -4.8835 -3.4583 -3.4583 -2.3601 -2.3601 2.2662 2.2662 3.8882 3.8882 4.8933 4.8933 5.1096 5.1096 5.4400 5.4400 5.7882 5.7882 6.2419 6.2419 6.4664 6.4664 6.6792 6.6792 8.0965 8.0965 8.7635 8.7635 9.8613 9.8613 12.6087 12.6087 13.6714 13.6714 14.4746 14.4746 k = 0.5524-0.0389-0.9729 ( 2804 PWs) bands (ev): -6.1782 -6.1782 -5.8503 -5.8503 -5.2260 -5.2260 -5.0541 -5.0541 -4.8823 -4.8823 -3.4886 -3.4886 -2.3542 -2.3542 2.2586 2.2586 3.8691 3.8691 4.9699 4.9699 5.1432 5.1432 5.4493 5.4493 5.7853 5.7853 6.2415 6.2415 6.4473 6.4473 6.6247 6.6247 8.1893 8.1893 8.7818 8.7818 9.7825 9.7825 12.5222 12.5222 13.7328 13.7328 14.4332 14.4332 k = 0.5466-0.0186-0.9729 ( 2802 PWs) bands (ev): -6.1830 -6.1830 -5.8454 -5.8454 -5.2261 -5.2261 -5.0460 -5.0460 -4.8811 -4.8811 -3.5165 -3.5165 -2.3491 -2.3491 2.2514 2.2514 3.8519 3.8519 5.0408 5.0408 5.1768 5.1768 5.4631 5.4631 5.7830 5.7830 6.2401 6.2401 6.4234 6.4234 6.5763 6.5763 8.2779 8.2779 8.7942 8.7942 9.7119 9.7119 12.4389 12.4389 13.7842 13.7842 14.3823 14.3823 k = 0.5408 0.0017-0.9729 ( 2802 PWs) bands (ev): -6.1874 -6.1874 -5.8410 -5.8410 -5.2263 -5.2263 -5.0385 -5.0385 -4.8798 -4.8798 -3.5418 -3.5418 -2.3447 -2.3447 2.2448 2.2448 3.8366 3.8366 5.1010 5.1010 5.2128 5.2128 5.4824 5.4824 5.7815 5.7815 6.2371 6.2371 6.3940 6.3940 6.5354 6.5354 8.3610 8.3610 8.8008 8.8008 9.6505 9.6505 12.3602 12.3602 13.8246 13.8246 14.3289 14.3289 k = 0.5349 0.0220-0.9729 ( 2814 PWs) bands (ev): -6.1913 -6.1913 -5.8373 -5.8373 -5.2264 -5.2264 -5.0317 -5.0317 -4.8786 -4.8786 -3.5644 -3.5644 -2.3411 -2.3411 2.2388 2.2388 3.8232 3.8232 5.1455 5.1455 5.2532 5.2532 5.5079 5.5079 5.7806 5.7806 6.2326 6.2326 6.3599 6.3599 6.5022 6.5022 8.4373 8.4373 8.8021 8.8021 9.5987 9.5987 12.2874 12.2874 13.8543 13.8543 14.2789 14.2789 k = 0.5291 0.0422-0.9729 ( 2814 PWs) bands (ev): -6.1945 -6.1945 -5.8341 -5.8341 -5.2265 -5.2265 -5.0257 -5.0257 -4.8774 -4.8774 -3.5839 -3.5839 -2.3381 -2.3381 2.2337 2.2337 3.8119 3.8119 5.1747 5.1747 5.2958 5.2958 5.5399 5.5399 5.7799 5.7799 6.2264 6.2264 6.3234 6.3234 6.4762 6.4762 8.5053 8.5053 8.7993 8.7993 9.5567 9.5567 12.2220 12.2220 13.8745 13.8745 14.2349 14.2349 k = 0.5233 0.0625-0.9729 ( 2814 PWs) bands (ev): -6.1972 -6.1972 -5.8315 -5.8315 -5.2265 -5.2265 -5.0207 -5.0207 -4.8763 -4.8763 -3.6001 -3.6001 -2.3357 -2.3357 2.2293 2.2293 3.8026 3.8026 5.1932 5.1932 5.3343 5.3343 5.5776 5.5776 5.7786 5.7786 6.2187 6.2187 6.2876 6.2876 6.4560 6.4560 8.5635 8.5635 8.7937 8.7937 9.5240 9.5240 12.1656 12.1656 13.8875 13.8875 14.1982 14.1982 k = 0.5175 0.0828-0.9729 ( 2814 PWs) bands (ev): -6.1993 -6.1993 -5.8294 -5.8294 -5.2265 -5.2265 -5.0166 -5.0166 -4.8754 -4.8754 -3.6129 -3.6129 -2.3338 -2.3338 2.2259 2.2259 3.7953 3.7953 5.2051 5.2051 5.3648 5.3648 5.6183 5.6183 5.7756 5.7756 6.2104 6.2104 6.2553 6.2553 6.4407 6.4407 8.6106 8.6106 8.7869 8.7869 9.5000 9.5000 12.1197 12.1197 13.8954 13.8954 14.1693 14.1693 k = 0.5116 0.1031-0.9729 ( 2814 PWs) bands (ev): -6.2008 -6.2008 -5.8280 -5.8280 -5.2265 -5.2265 -5.0137 -5.0137 -4.8747 -4.8747 -3.6222 -3.6222 -2.3325 -2.3325 2.2234 2.2234 3.7901 3.7901 5.2125 5.2125 5.3864 5.3864 5.6579 5.6579 5.7694 5.7694 6.2029 6.2029 6.2290 6.2290 6.4300 6.4300 8.6452 8.6452 8.7807 8.7807 9.4837 9.4837 12.0859 12.0859 13.8998 13.8998 14.1485 14.1485 k = 0.5058 0.1233-0.9729 ( 2816 PWs) bands (ev): -6.2017 -6.2017 -5.8271 -5.8271 -5.2266 -5.2266 -5.0120 -5.0120 -4.8742 -4.8742 -3.6278 -3.6278 -2.3318 -2.3318 2.2219 2.2219 3.7870 3.7870 5.2165 5.2165 5.3991 5.3991 5.6912 5.6912 5.7592 5.7592 6.1987 6.1987 6.2106 6.2106 6.4237 6.4237 8.6663 8.6663 8.7764 8.7764 9.4742 9.4742 12.0650 12.0650 13.9020 13.9020 14.1360 14.1360 k = 0.5000 0.1436-0.9729 ( 2818 PWs) bands (ev): -6.2020 -6.2020 -5.8268 -5.8268 -5.2266 -5.2266 -5.0114 -5.0114 -4.8741 -4.8741 -3.6297 -3.6297 -2.3315 -2.3315 2.2214 2.2214 3.7859 3.7859 5.2178 5.2178 5.4033 5.4033 5.7072 5.7072 5.7515 5.7515 6.1992 6.1992 6.2021 6.2021 6.4216 6.4216 8.6734 8.6734 8.7749 8.7749 9.4712 9.4712 12.0580 12.0580 13.9027 13.9027 14.1318 14.1318 k = 0.5000 0.1436-0.9729 ( 2818 PWs) bands (ev): -6.2020 -6.2020 -5.8268 -5.8268 -5.2266 -5.2266 -5.0114 -5.0114 -4.8741 -4.8741 -3.6297 -3.6297 -2.3315 -2.3315 2.2214 2.2214 3.7859 3.7859 5.2178 5.2178 5.4033 5.4033 5.7072 5.7072 5.7515 5.7515 6.1992 6.1992 6.2021 6.2021 6.4216 6.4216 8.6734 8.6734 8.7749 8.7749 9.4712 9.4712 12.0580 12.0580 13.9027 13.9027 14.1318 14.1318 k = 0.5175 0.1486-0.9632 ( 2817 PWs) bands (ev): -6.2020 -6.2020 -5.8268 -5.8268 -5.2266 -5.2266 -5.0114 -5.0114 -4.8741 -4.8741 -3.6300 -3.6300 -2.3316 -2.3316 2.2222 2.2222 3.7843 3.7843 5.2186 5.2186 5.4017 5.4017 5.6982 5.6982 5.7640 5.7640 6.1714 6.1714 6.2275 6.2275 6.4256 6.4256 8.6713 8.6713 8.7708 8.7708 9.4717 9.4717 12.0646 12.0646 13.8671 13.8671 14.1636 14.1636 k = 0.5349 0.1536-0.9535 ( 2814 PWs) bands (ev): -6.2019 -6.2019 -5.8268 -5.8268 -5.2265 -5.2265 -5.0114 -5.0114 -4.8741 -4.8741 -3.6307 -3.6307 -2.3318 -2.3318 2.2248 2.2248 3.7796 3.7796 5.2207 5.2207 5.3974 5.3974 5.6831 5.6831 5.7897 5.7897 6.1414 6.1414 6.2502 6.2502 6.4376 6.4376 8.6651 8.6651 8.7583 8.7583 9.4735 9.4735 12.0841 12.0841 13.7899 13.7899 14.2295 14.2295 k = 0.5524 0.1587-0.9438 ( 2808 PWs) bands (ev): -6.2016 -6.2016 -5.8268 -5.8268 -5.2265 -5.2265 -5.0114 -5.0114 -4.8741 -4.8741 -3.6318 -3.6318 -2.3321 -2.3321 2.2291 2.2291 3.7721 3.7721 5.2229 5.2229 5.3910 5.3910 5.6694 5.6694 5.8207 5.8207 6.1122 6.1122 6.2681 6.2681 6.4573 6.4573 8.6546 8.6546 8.7372 8.7372 9.4776 9.4776 12.1159 12.1159 13.6981 13.6981 14.3029 14.3029 k = 0.5699 0.1637-0.9340 ( 2808 PWs) bands (ev): -6.2014 -6.2014 -5.8268 -5.8268 -5.2265 -5.2265 -5.0114 -5.0114 -4.8742 -4.8742 -3.6335 -3.6335 -2.3326 -2.3326 2.2350 2.2350 3.7619 3.7619 5.2238 5.2238 5.3837 5.3837 5.6587 5.6587 5.8552 5.8552 6.0851 6.0851 6.2812 6.2812 6.4832 6.4832 8.6399 8.6399 8.7070 8.7070 9.4853 9.4853 12.1592 12.1592 13.6002 13.6002 14.3756 14.3756 k = 0.5874 0.1687-0.9243 ( 2806 PWs) bands (ev): -6.2011 -6.2011 -5.8268 -5.8268 -5.2264 -5.2264 -5.0114 -5.0114 -4.8743 -4.8743 -3.6356 -3.6356 -2.3333 -2.3333 2.2426 2.2426 3.7496 3.7496 5.2218 5.2218 5.3760 5.3760 5.6519 5.6519 5.8921 5.8921 6.0615 6.0615 6.2909 6.2909 6.5139 6.5139 8.6207 8.6207 8.6678 8.6678 9.4977 9.4977 12.2127 12.2127 13.4997 13.4997 14.4450 14.4450 k = 0.6048 0.1737-0.9146 ( 2804 PWs) bands (ev): -6.2007 -6.2007 -5.8268 -5.8268 -5.2264 -5.2264 -5.0115 -5.0115 -4.8744 -4.8744 -3.6382 -3.6382 -2.3340 -2.3340 2.2519 2.2519 3.7356 3.7356 5.2157 5.2157 5.3677 5.3677 5.6498 5.6498 5.9307 5.9307 6.0425 6.0425 6.2982 6.2982 6.5477 6.5477 8.5944 8.5944 8.6223 8.6223 9.5160 9.5160 12.2749 12.2749 13.3986 13.3986 14.5103 14.5103 k = 0.6223 0.1787-0.9049 ( 2797 PWs) bands (ev): -6.2002 -6.2002 -5.8268 -5.8268 -5.2263 -5.2263 -5.0115 -5.0115 -4.8744 -4.8744 -3.6413 -3.6413 -2.3349 -2.3349 2.2628 2.2628 3.7205 3.7205 5.2055 5.2055 5.3575 5.3575 5.6530 5.6530 5.9690 5.9690 6.0306 6.0306 6.3044 6.3044 6.5834 6.5834 8.5487 8.5487 8.5832 8.5832 9.5408 9.5408 12.3441 12.3441 13.2985 13.2985 14.5708 14.5708 k = 0.6398 0.1838-0.8952 ( 2799 PWs) bands (ev): -6.1997 -6.1997 -5.8268 -5.8268 -5.2263 -5.2263 -5.0115 -5.0115 -4.8746 -4.8746 -3.6449 -3.6449 -2.3360 -2.3360 2.2752 2.2752 3.7046 3.7046 5.1918 5.1918 5.3437 5.3437 5.6615 5.6615 5.9975 5.9975 6.0354 6.0354 6.3101 6.3101 6.6200 6.6200 8.4837 8.4837 8.5515 8.5515 9.5726 9.5726 12.4176 12.4176 13.2017 13.2017 14.6266 14.6266 k = 0.6572 0.1888-0.8854 ( 2798 PWs) bands (ev): -6.1991 -6.1991 -5.8268 -5.8268 -5.2262 -5.2262 -5.0116 -5.0116 -4.8747 -4.8747 -3.6490 -3.6490 -2.3371 -2.3371 2.2891 2.2891 3.6885 3.6885 5.1757 5.1757 5.3255 5.3255 5.6744 5.6744 6.0055 6.0055 6.0680 6.0680 6.3163 6.3163 6.6573 6.6573 8.4089 8.4089 8.5189 8.5189 9.6111 9.6111 12.4914 12.4914 13.1120 13.1120 14.6776 14.6776 k = 0.6572 0.1888-0.8854 ( 2798 PWs) bands (ev): -6.1991 -6.1991 -5.8268 -5.8268 -5.2262 -5.2262 -5.0116 -5.0116 -4.8747 -4.8747 -3.6490 -3.6490 -2.3371 -2.3371 2.2891 2.2891 3.6885 3.6885 5.1757 5.1757 5.3255 5.3255 5.6744 5.6744 6.0055 6.0055 6.0680 6.0680 6.3163 6.3163 6.6573 6.6573 8.4089 8.4089 8.5189 8.5189 9.6111 9.6111 12.4914 12.4914 13.1120 13.1120 14.6776 14.6776 k = 0.6538 0.1878-0.8643 ( 2796 PWs) bands (ev): -6.1968 -6.1968 -5.8269 -5.8269 -5.2261 -5.2261 -5.0120 -5.0120 -4.8754 -4.8754 -3.6629 -3.6629 -2.3427 -2.3427 2.3015 2.3015 3.6873 3.6873 5.1878 5.1878 5.3493 5.3493 5.6826 5.6826 6.0166 6.0166 6.0566 6.0566 6.3214 6.3214 6.6651 6.6651 8.3610 8.3610 8.5276 8.5276 9.6213 9.6213 12.5179 12.5179 13.0672 13.0672 14.7172 14.7172 k = 0.6504 0.1868-0.8431 ( 2796 PWs) bands (ev): -6.1938 -6.1938 -5.8271 -5.8271 -5.2259 -5.2259 -5.0124 -5.0124 -4.8764 -4.8764 -3.6811 -3.6811 -2.3500 -2.3500 2.3198 2.3198 3.6900 3.6900 5.2004 5.2004 5.3753 5.3753 5.6901 5.6901 6.0241 6.0241 6.0480 6.0480 6.3266 6.3266 6.6722 6.6722 8.3101 8.3101 8.5364 8.5364 9.6383 9.6383 12.5461 12.5461 13.0284 13.0284 14.7596 14.7596 k = 0.6470 0.1858-0.8220 ( 2799 PWs) bands (ev): -6.1902 -6.1902 -5.8273 -5.8273 -5.2258 -5.2258 -5.0130 -5.0130 -4.8775 -4.8775 -3.7034 -3.7034 -2.3591 -2.3591 2.3441 2.3441 3.6965 3.6965 5.2133 5.2133 5.4033 5.4033 5.6974 5.6974 6.0221 6.0221 6.0479 6.0479 6.3319 6.3319 6.6783 6.6783 8.2567 8.2567 8.5452 8.5452 9.6624 9.6624 12.5756 12.5756 12.9958 12.9958 14.8047 14.8047 k = 0.6436 0.1848-0.8008 ( 2799 PWs) bands (ev): -6.1859 -6.1859 -5.8276 -5.8276 -5.2255 -5.2255 -5.0136 -5.0136 -4.8789 -4.8789 -3.7293 -3.7293 -2.3701 -2.3701 2.3741 2.3741 3.7068 3.7068 5.2266 5.2266 5.4331 5.4331 5.7048 5.7048 6.0128 6.0128 6.0543 6.0543 6.3371 6.3371 6.6833 6.6833 8.2014 8.2014 8.5537 8.5537 9.6936 9.6936 12.6058 12.6058 12.9699 12.9699 14.8518 14.8518 k = 0.6402 0.1839-0.7797 ( 2802 PWs) bands (ev): -6.1810 -6.1810 -5.8279 -5.8279 -5.2253 -5.2253 -5.0143 -5.0143 -4.8805 -4.8805 -3.7586 -3.7586 -2.3833 -2.3833 2.4099 2.4099 3.7209 3.7209 5.2399 5.2399 5.4643 5.4643 5.7124 5.7124 6.0018 6.0018 6.0615 6.0615 6.3423 6.3423 6.6871 6.6871 8.1445 8.1445 8.5620 8.5620 9.7319 9.7319 12.6357 12.6357 12.9514 12.9514 14.9004 14.9004 k = 0.6367 0.1829-0.7585 ( 2803 PWs) bands (ev): -6.1753 -6.1753 -5.8282 -5.8282 -5.2249 -5.2249 -5.0151 -5.0151 -4.8823 -4.8823 -3.7909 -3.7909 -2.3987 -2.3987 2.4511 2.4511 3.7388 3.7388 5.2533 5.2533 5.4967 5.4967 5.7207 5.7207 5.9907 5.9907 6.0683 6.0683 6.3475 6.3475 6.6894 6.6894 8.0863 8.0863 8.5699 8.5699 9.7774 9.7774 12.6640 12.6640 12.9414 12.9414 14.9494 14.9494 k = 0.6333 0.1819-0.7374 ( 2811 PWs) bands (ev): -6.1691 -6.1691 -5.8286 -5.8286 -5.2246 -5.2246 -5.0159 -5.0159 -4.8844 -4.8844 -3.8257 -3.8257 -2.4164 -2.4164 2.4975 2.4975 3.7603 3.7603 5.2665 5.2665 5.5295 5.5295 5.7298 5.7298 5.9800 5.9800 6.0744 6.0744 6.3529 6.3529 6.6902 6.6902 8.0274 8.0274 8.5774 8.5774 9.8299 9.8299 12.6889 12.6889 12.9415 12.9415 14.9970 14.9970 k = 0.6299 0.1809-0.7162 ( 2819 PWs) bands (ev): -6.1623 -6.1623 -5.8290 -5.8290 -5.2242 -5.2242 -5.0168 -5.0168 -4.8867 -4.8867 -3.8626 -3.8626 -2.4365 -2.4365 2.5488 2.5488 3.7855 3.7855 5.2793 5.2793 5.5622 5.5622 5.7397 5.7397 5.9703 5.9703 6.0799 6.0799 6.3585 6.3585 6.6894 6.6894 7.9682 7.9682 8.5845 8.5845 9.8892 9.8892 12.7086 12.7086 12.9530 12.9530 15.0408 15.0408 k = 0.6265 0.1799-0.6951 ( 2806 PWs) bands (ev): -6.1548 -6.1548 -5.8294 -5.8294 -5.2236 -5.2236 -5.0177 -5.0177 -4.8890 -4.8890 -3.9014 -3.9014 -2.4589 -2.4589 2.6047 2.6047 3.8145 3.8145 5.2917 5.2917 5.5940 5.5940 5.7503 5.7503 5.9624 5.9624 6.0851 6.0851 6.3646 6.3646 6.6871 6.6871 7.9090 7.9090 8.5911 8.5911 9.9551 9.9551 12.7226 12.7226 12.9760 12.9760 15.0782 15.0782 k = 0.6231 0.1790-0.6739 ( 2809 PWs) bands (ev): -6.1468 -6.1468 -5.8300 -5.8300 -5.2231 -5.2231 -5.0187 -5.0187 -4.8917 -4.8917 -3.9416 -3.9416 -2.4838 -2.4838 2.6646 2.6646 3.8473 3.8473 5.3034 5.3034 5.6239 5.6239 5.7607 5.7607 5.9576 5.9576 6.0902 6.0902 6.3714 6.3714 6.6832 6.6832 7.8505 7.8505 8.5972 8.5972 10.0274 10.0274 12.7319 12.7319 13.0091 13.0091 15.1085 15.1085 k = 0.6196 0.1780-0.6528 ( 2813 PWs) bands (ev): -6.1384 -6.1384 -5.8305 -5.8305 -5.2226 -5.2226 -5.0197 -5.0197 -4.8946 -4.8946 -3.9828 -3.9828 -2.5109 -2.5109 2.7282 2.7282 3.8839 3.8839 5.3142 5.3142 5.6511 5.6511 5.7693 5.7693 5.9575 5.9575 6.0958 6.0958 6.3793 6.3793 6.6778 6.6778 7.7930 7.7930 8.6026 8.6026 10.1058 10.1058 12.7383 12.7383 13.0500 13.0500 15.1335 15.1335 k = 0.6162 0.1770-0.6316 ( 2812 PWs) bands (ev): -6.1294 -6.1294 -5.8311 -5.8311 -5.2220 -5.2220 -5.0206 -5.0206 -4.8977 -4.8977 -4.0249 -4.0249 -2.5403 -2.5403 2.7948 2.7948 3.9246 3.9246 5.3240 5.3240 5.6753 5.6753 5.7741 5.7741 5.9634 5.9634 6.1029 6.1029 6.3883 6.3883 6.6709 6.6709 7.7370 7.7370 8.6074 8.6074 10.1898 10.1898 12.7433 12.7433 13.0965 13.0965 15.1552 15.1552 k = 0.6128 0.1760-0.6105 ( 2809 PWs) bands (ev): -6.1199 -6.1199 -5.8318 -5.8318 -5.2212 -5.2212 -5.0216 -5.0216 -4.9010 -4.9010 -4.0673 -4.0673 -2.5719 -2.5719 2.8639 2.8639 3.9695 3.9695 5.3326 5.3326 5.6963 5.6963 5.7738 5.7738 5.9751 5.9751 6.1128 6.1128 6.3989 6.3989 6.6628 6.6628 7.6832 7.6832 8.6115 8.6115 10.2792 10.2792 12.7479 12.7479 13.1469 13.1469 15.1748 15.1748 k = 0.6094 0.1750-0.5893 ( 2809 PWs) bands (ev): -6.1100 -6.1100 -5.8325 -5.8325 -5.2205 -5.2205 -5.0226 -5.0226 -4.9046 -4.9046 -4.1099 -4.1099 -2.6054 -2.6054 2.9347 2.9347 4.0188 4.0188 5.3399 5.3399 5.7136 5.7136 5.7691 5.7691 5.9898 5.9898 6.1277 6.1277 6.4109 6.4109 6.6535 6.6535 7.6322 7.6322 8.6149 8.6149 10.3735 10.3735 12.7528 12.7528 13.1997 13.1997 15.1928 15.1928 k = 0.6060 0.1740-0.5682 ( 2811 PWs) bands (ev): -6.0998 -6.0998 -5.8333 -5.8333 -5.2197 -5.2197 -5.0236 -5.0236 -4.9084 -4.9084 -4.1524 -4.1524 -2.6407 -2.6407 3.0065 3.0065 4.0727 4.0727 5.3458 5.3458 5.7242 5.7242 5.7647 5.7647 6.0036 6.0036 6.1497 6.1497 6.4243 6.4243 6.6435 6.6435 7.5844 7.5844 8.6173 8.6173 10.4723 10.4723 12.7583 12.7583 13.2539 13.2539 15.2091 15.2091 k = 0.6025 0.1731-0.5470 ( 2811 PWs) bands (ev): -6.0893 -6.0893 -5.8342 -5.8342 -5.2189 -5.2189 -5.0245 -5.0245 -4.9125 -4.9125 -4.1944 -4.1944 -2.6777 -2.6777 3.0788 3.0788 4.1316 4.1316 5.3504 5.3504 5.7213 5.7213 5.7686 5.7686 6.0137 6.0137 6.1791 6.1791 6.4391 6.4391 6.6334 6.6334 7.5408 7.5408 8.6189 8.6189 10.5752 10.5752 12.7642 12.7642 13.3082 13.3082 15.2236 15.2236 k = 0.5991 0.1721-0.5259 ( 2817 PWs) bands (ev): -6.0785 -6.0785 -5.8351 -5.8351 -5.2180 -5.2180 -5.0254 -5.0254 -4.9169 -4.9169 -4.2358 -4.2358 -2.7162 -2.7162 3.1507 3.1507 4.1955 4.1955 5.3534 5.3534 5.7074 5.7074 5.7800 5.7800 6.0198 6.0198 6.2145 6.2145 6.4544 6.4544 6.6241 6.6241 7.5018 7.5018 8.6195 8.6195 10.6818 10.6818 12.7705 12.7705 13.3616 13.3616 15.2360 15.2360 k = 0.5957 0.1711-0.5047 ( 2817 PWs) bands (ev): -6.0675 -6.0675 -5.8361 -5.8361 -5.2171 -5.2171 -5.0263 -5.0263 -4.9215 -4.9215 -4.2764 -4.2764 -2.7561 -2.7561 3.2217 3.2217 4.2647 4.2647 5.3551 5.3551 5.6887 5.6887 5.7934 5.7934 6.0229 6.0229 6.2530 6.2530 6.4693 6.4693 6.6176 6.6176 7.4683 7.4683 8.6191 8.6191 10.7915 10.7915 12.7770 12.7770 13.4128 13.4128 15.2458 15.2458 k = 0.5923 0.1701-0.4836 ( 2823 PWs) bands (ev): -6.0564 -6.0564 -5.8371 -5.8371 -5.2162 -5.2162 -5.0270 -5.0270 -4.9264 -4.9264 -4.3158 -4.3158 -2.7970 -2.7970 3.2911 3.2911 4.3392 4.3392 5.3552 5.3552 5.6676 5.6676 5.8068 5.8068 6.0240 6.0240 6.2909 6.2909 6.4823 6.4823 6.6167 6.6167 7.4409 7.4409 8.6175 8.6175 10.9040 10.9040 12.7832 12.7832 13.4607 13.4607 15.2526 15.2526 k = 0.5889 0.1691-0.4624 ( 2819 PWs) bands (ev): -6.0451 -6.0451 -5.8382 -5.8382 -5.2151 -5.2151 -5.0277 -5.0277 -4.9315 -4.9315 -4.3539 -4.3539 -2.8389 -2.8389 3.3585 3.3585 4.4188 4.4188 5.3540 5.3540 5.6454 5.6454 5.8197 5.8197 6.0239 6.0239 6.3239 6.3239 6.4937 6.4937 6.6244 6.6244 7.4204 7.4204 8.6148 8.6148 11.0187 11.0187 12.7887 12.7887 13.5039 13.5039 15.2556 15.2556 k = 0.5855 0.1682-0.4413 ( 2819 PWs) bands (ev): -6.0337 -6.0337 -5.8394 -5.8394 -5.2141 -5.2141 -5.0284 -5.0284 -4.9369 -4.9369 -4.3905 -4.3905 -2.8815 -2.8815 3.4236 3.4236 4.5033 4.5033 5.3513 5.3513 5.6225 5.6225 5.8317 5.8317 6.0232 6.0232 6.3456 6.3456 6.5074 6.5074 6.6415 6.6415 7.4073 7.4073 8.6107 8.6107 11.1350 11.1350 12.7929 12.7929 13.5411 13.5411 15.2540 15.2540 k = 0.5820 0.1672-0.4201 ( 2819 PWs) bands (ev): -6.0224 -6.0224 -5.8406 -5.8406 -5.2131 -5.2131 -5.0289 -5.0289 -4.9425 -4.9425 -4.4254 -4.4254 -2.9247 -2.9247 3.4862 3.4862 4.5920 4.5920 5.3474 5.3474 5.5996 5.5996 5.8424 5.8424 6.0225 6.0225 6.3512 6.3512 6.5290 6.5290 6.6668 6.6668 7.4021 7.4021 8.6054 8.6054 11.2524 11.2524 12.7951 12.7951 13.5711 13.5711 15.2457 15.2457 k = 0.5786 0.1662-0.3990 ( 2823 PWs) bands (ev): -6.0113 -6.0113 -5.8419 -5.8419 -5.2121 -5.2121 -5.0293 -5.0293 -4.9484 -4.9484 -4.4586 -4.4586 -2.9683 -2.9683 3.5462 3.5462 4.6841 4.6841 5.3424 5.3424 5.5770 5.5770 5.8517 5.8517 6.0221 6.0221 6.3419 6.3419 6.5585 6.5585 6.6983 6.6983 7.4050 7.4050 8.5985 8.5985 11.3701 11.3701 12.7945 12.7945 13.5933 13.5933 15.2226 15.2226 k = 0.5752 0.1652-0.3778 ( 2822 PWs) bands (ev): -6.0002 -6.0002 -5.8433 -5.8433 -5.2112 -5.2112 -5.0297 -5.0297 -4.9544 -4.9544 -4.4898 -4.4898 -3.0121 -3.0121 3.6037 3.6037 4.7784 4.7784 5.3367 5.3367 5.5552 5.5552 5.8593 5.8593 6.0223 6.0223 6.3229 6.3229 6.5924 6.5924 6.7348 6.7348 7.4160 7.4160 8.5902 8.5902 11.4873 11.4873 12.7901 12.7901 13.6073 13.6073 15.1486 15.1486 k = 0.5718 0.1642-0.3567 ( 2822 PWs) bands (ev): -5.9893 -5.9893 -5.8447 -5.8447 -5.2104 -5.2104 -5.0299 -5.0299 -4.9605 -4.9605 -4.5189 -4.5189 -3.0558 -3.0558 3.6587 3.6587 4.8730 4.8730 5.3313 5.3313 5.5345 5.5345 5.8647 5.8647 6.0235 6.0235 6.2983 6.2983 6.6275 6.6275 6.7752 6.7752 7.4350 7.4350 8.5803 8.5803 11.6031 11.6031 12.7808 12.7808 13.6136 13.6136 15.0173 15.0173 k = 0.5684 0.1632-0.3355 ( 2825 PWs) bands (ev): -5.9787 -5.9787 -5.8462 -5.8462 -5.2098 -5.2098 -5.0301 -5.0301 -4.9666 -4.9666 -4.5460 -4.5460 -3.0994 -3.0994 3.7113 3.7113 4.9649 4.9649 5.3279 5.3279 5.5151 5.5151 5.8678 5.8678 6.0259 6.0259 6.2710 6.2710 6.6624 6.6624 6.8190 6.8190 7.4614 7.4614 8.5688 8.5688 11.7162 11.7162 12.7655 12.7655 13.6133 13.6133 14.8730 14.8730 k = 0.5649 0.1623-0.3144 ( 2823 PWs) bands (ev): -5.9685 -5.9685 -5.8478 -5.8478 -5.2095 -5.2095 -5.0300 -5.0300 -4.9725 -4.9725 -4.5708 -4.5708 -3.1427 -3.1427 3.7619 3.7619 5.0485 5.0485 5.3307 5.3307 5.4974 5.4974 5.8683 5.8683 6.0298 6.0298 6.2430 6.2430 6.6969 6.6969 6.8657 6.8657 7.4944 7.4944 8.5555 8.5555 11.8253 11.8253 12.7434 12.7434 13.6079 13.6079 14.7297 14.7297 k = 0.5615 0.1613-0.2932 ( 2821 PWs) bands (ev): -5.9586 -5.9586 -5.8493 -5.8493 -5.2095 -5.2095 -5.0299 -5.0299 -4.9782 -4.9782 -4.5935 -4.5935 -3.1854 -3.1854 3.8104 3.8104 5.1140 5.1140 5.3478 5.3478 5.4816 5.4816 5.8661 5.8661 6.0353 6.0353 6.2157 6.2157 6.7314 6.7314 6.9148 6.9148 7.5331 7.5331 8.5404 8.5404 11.9284 11.9284 12.7136 12.7136 13.5992 13.5992 14.5930 14.5930 k = 0.5581 0.1603-0.2721 ( 2823 PWs) bands (ev): -5.9492 -5.9492 -5.8510 -5.8510 -5.2099 -5.2099 -5.0297 -5.0297 -4.9835 -4.9835 -4.6141 -4.6141 -3.2274 -3.2274 3.8572 3.8572 5.1509 5.1509 5.3866 5.3866 5.4692 5.4692 5.8614 5.8614 6.0425 6.0425 6.1905 6.1905 6.7670 6.7670 6.9659 6.9659 7.5764 7.5764 8.5235 8.5235 12.0230 12.0230 12.6764 12.6764 13.5881 13.5881 14.4671 14.4671 k = 0.5547 0.1593-0.2509 ( 2827 PWs) bands (ev): -5.9404 -5.9404 -5.8527 -5.8527 -5.2107 -5.2107 -5.0294 -5.0294 -4.9883 -4.9883 -4.6327 -4.6327 -3.2685 -3.2685 3.9022 3.9022 5.1617 5.1617 5.4289 5.4289 5.4731 5.4731 5.8548 5.8548 6.0513 6.0513 6.1689 6.1689 6.8046 6.8046 7.0186 7.0186 7.6232 7.6232 8.5047 8.5047 12.1057 12.1057 12.6329 12.6329 13.5751 13.5751 14.3564 14.3564 k = 0.5513 0.1583-0.2298 ( 2825 PWs) bands (ev): -5.9320 -5.9320 -5.8543 -5.8543 -5.2121 -5.2121 -5.0291 -5.0291 -4.9921 -4.9921 -4.6492 -4.6492 -3.3086 -3.3086 3.9457 3.9457 5.1578 5.1578 5.4304 5.4304 5.5230 5.5230 5.8479 5.8479 6.0610 6.0610 6.1522 6.1522 6.8458 6.8458 7.0727 7.0727 7.6721 7.6721 8.4838 8.4838 12.1715 12.1715 12.5861 12.5861 13.5595 13.5595 14.2657 14.2657 k = 0.5479 0.1574-0.2086 ( 2823 PWs) bands (ev): -5.9242 -5.9242 -5.8560 -5.8560 -5.2140 -5.2140 -5.0289 -5.0289 -4.9950 -4.9950 -4.6639 -4.6639 -3.3474 -3.3474 3.9876 3.9876 5.1470 5.1470 5.4207 5.4207 5.5771 5.5771 5.8435 5.8435 6.0699 6.0699 6.1431 6.1431 6.8917 6.8917 7.1279 7.1279 7.7222 7.7222 8.4610 8.4610 12.2128 12.2128 12.5416 12.5416 13.5403 13.5403 14.1995 14.1995 k = 0.5444 0.1564-0.1875 ( 2817 PWs) bands (ev): -5.9169 -5.9169 -5.8577 -5.8577 -5.2164 -5.2164 -5.0288 -5.0288 -4.9967 -4.9967 -4.6768 -4.6768 -3.3848 -3.3848 4.0279 4.0279 5.1329 5.1329 5.4102 5.4102 5.6164 5.6164 5.8456 5.8456 6.0749 6.0749 6.1446 6.1446 6.9435 6.9435 7.1840 7.1840 7.7723 7.7723 8.4362 8.4362 12.2205 12.2205 12.5075 12.5075 13.5174 13.5174 14.1610 14.1610 k = 0.5410 0.1554-0.1663 ( 2815 PWs) bands (ev): -5.9103 -5.9103 -5.8594 -5.8594 -5.2193 -5.2193 -5.0289 -5.0289 -4.9973 -4.9973 -4.6881 -4.6881 -3.4205 -3.4205 4.0667 4.0667 5.1173 5.1173 5.3996 5.3996 5.6354 5.6354 5.8566 5.8566 6.0747 6.0747 6.1577 6.1577 7.0021 7.0021 7.2408 7.2408 7.8212 7.8212 8.4093 8.4093 12.1915 12.1915 12.4864 12.4864 13.4925 13.4925 14.1501 14.1501 k = 0.5376 0.1544-0.1452 ( 2815 PWs) bands (ev): -5.9043 -5.9043 -5.8611 -5.8611 -5.2225 -5.2225 -5.0293 -5.0293 -4.9967 -4.9967 -4.6979 -4.6979 -3.4545 -3.4545 4.1039 4.1039 5.1014 5.1014 5.3891 5.3891 5.6366 5.6366 5.8739 5.8739 6.0719 6.0719 6.1783 6.1783 7.0679 7.0679 7.2981 7.2981 7.8678 7.8678 8.3803 8.3803 12.1351 12.1351 12.4700 12.4700 13.4691 13.4691 14.1634 14.1634 k = 0.5342 0.1534-0.1240 ( 2815 PWs) bands (ev): -5.8990 -5.8990 -5.8626 -5.8626 -5.2260 -5.2260 -5.0298 -5.0298 -4.9951 -4.9951 -4.7063 -4.7063 -3.4864 -3.4864 4.1394 4.1394 5.0856 5.0856 5.3787 5.3787 5.6263 5.6263 5.8925 5.8925 6.0687 6.0687 6.2024 6.2024 7.1405 7.1405 7.3556 7.3556 7.9111 7.9111 8.3493 8.3493 12.0634 12.0634 12.4493 12.4493 13.4502 13.4502 14.1959 14.1959 k = 0.5308 0.1524-0.1029 ( 2817 PWs) bands (ev): -5.8942 -5.8942 -5.8642 -5.8642 -5.2297 -5.2297 -5.0304 -5.0304 -4.9927 -4.9927 -4.7136 -4.7136 -3.5161 -3.5161 4.1729 4.1729 5.0705 5.0705 5.3684 5.3684 5.6104 5.6104 5.9091 5.9091 6.0661 6.0661 6.2270 6.2270 7.2191 7.2191 7.4132 7.4132 7.9499 7.9499 8.3163 8.3163 11.9846 11.9846 12.4207 12.4207 13.4373 13.4373 14.2421 14.2421 k = 0.5273 0.1515-0.0817 ( 2815 PWs) bands (ev): -5.8900 -5.8900 -5.8656 -5.8656 -5.2333 -5.2333 -5.0310 -5.0310 -4.9899 -4.9899 -4.7197 -4.7197 -3.5433 -3.5433 4.2044 4.2044 5.0563 5.0563 5.3580 5.3580 5.5924 5.5924 5.9227 5.9227 6.0641 6.0641 6.2501 6.2501 7.3022 7.3022 7.4706 7.4706 7.9832 7.9832 8.2813 8.2813 11.9038 11.9038 12.3852 12.3852 13.4300 13.4300 14.2966 14.2966 k = 0.5239 0.1505-0.0606 ( 2818 PWs) bands (ev): -5.8865 -5.8865 -5.8669 -5.8669 -5.2368 -5.2368 -5.0315 -5.0315 -4.9868 -4.9868 -4.7248 -4.7248 -3.5680 -3.5680 4.2334 4.2334 5.0433 5.0433 5.3477 5.3477 5.5743 5.5743 5.9334 5.9334 6.0629 6.0629 6.2706 6.2706 7.3880 7.3880 7.5277 7.5277 8.0098 8.0098 8.2445 8.2445 11.8247 11.8247 12.3454 12.3454 13.4271 13.4271 14.3543 14.3543 k = 0.5205 0.1495-0.0394 ( 2824 PWs) bands (ev): -5.8835 -5.8835 -5.8681 -5.8681 -5.2401 -5.2401 -5.0320 -5.0320 -4.9836 -4.9836 -4.7290 -4.7290 -3.5898 -3.5898 4.2597 4.2597 5.0316 5.0316 5.3375 5.3375 5.5574 5.5574 5.9416 5.9416 6.0621 6.0621 6.2882 6.2882 7.4744 7.4744 7.5841 7.5841 8.0287 8.0287 8.2060 8.2060 11.7500 11.7500 12.3046 12.3046 13.4273 13.4273 14.4102 14.4102 k = 0.5171 0.1485-0.0183 ( 2828 PWs) bands (ev): -5.8811 -5.8811 -5.8690 -5.8690 -5.2431 -5.2431 -5.0324 -5.0324 -4.9806 -4.9806 -4.7324 -4.7324 -3.6087 -3.6087 4.2830 4.2830 5.0213 5.0213 5.3278 5.3278 5.5425 5.5425 5.9479 5.9479 6.0617 6.0617 6.3026 6.3026 7.5593 7.5593 7.6396 7.6396 8.0389 8.0389 8.1662 8.1662 11.6822 11.6822 12.2656 12.2656 13.4292 13.4292 14.4598 14.4598 k = 0.5137 0.1475 0.0029 ( 2834 PWs) bands (ev): -5.8793 -5.8793 -5.8698 -5.8698 -5.2456 -5.2456 -5.0327 -5.0327 -4.9779 -4.9779 -4.7351 -4.7351 -3.6244 -3.6244 4.3027 4.3027 5.0128 5.0128 5.3189 5.3189 5.5302 5.5302 5.9525 5.9525 6.0616 6.0616 6.3140 6.3140 7.6405 7.6405 7.6936 7.6936 8.0393 8.0393 8.1258 8.1258 11.6234 11.6234 12.2308 12.2308 13.4319 13.4319 14.4994 14.4994 k = 0.5103 0.1466 0.0240 ( 2840 PWs) bands (ev): -5.8780 -5.8780 -5.8703 -5.8703 -5.2476 -5.2476 -5.0330 -5.0330 -4.9756 -4.9756 -4.7371 -4.7371 -3.6367 -3.6367 4.3186 4.3186 5.0060 5.0060 5.3113 5.3113 5.5205 5.5205 5.9559 5.9559 6.0617 6.0617 6.3226 6.3226 7.7154 7.7154 7.7457 7.7457 8.0285 8.0285 8.0868 8.0868 11.5755 11.5755 12.2019 12.2019 13.4345 13.4345 14.5275 14.5275 k = 0.5068 0.1456 0.0452 ( 2846 PWs) bands (ev): -5.8772 -5.8772 -5.8705 -5.8705 -5.2491 -5.2491 -5.0332 -5.0332 -4.9740 -4.9740 -4.7385 -4.7385 -3.6457 -3.6457 4.3303 4.3303 5.0010 5.0010 5.3054 5.3054 5.5136 5.5136 5.9581 5.9581 6.0617 6.0617 6.3287 6.3287 7.7796 7.7796 7.7956 7.7956 8.0049 8.0049 8.0531 8.0531 11.5400 11.5400 12.1804 12.1804 13.4368 13.4368 14.5450 14.5450 k = 0.5034 0.1446 0.0663 ( 2848 PWs) bands (ev): -5.8768 -5.8768 -5.8706 -5.8706 -5.2500 -5.2500 -5.0333 -5.0333 -4.9730 -4.9730 -4.7393 -4.7393 -3.6511 -3.6511 4.3375 4.3375 4.9980 4.9980 5.3018 5.3018 5.5095 5.5095 5.9594 5.9594 6.0618 6.0618 6.3322 6.3322 7.8225 7.8225 7.8452 7.8452 7.9715 7.9715 8.0287 8.0287 11.5183 11.5183 12.1671 12.1671 13.4382 13.4382 14.5542 14.5542 k = 0.5000 0.1436 0.0875 ( 2840 PWs) bands (ev): -5.8766 -5.8766 -5.8706 -5.8706 -5.2503 -5.2503 -5.0332 -5.0332 -4.9726 -4.9726 -4.7395 -4.7395 -3.6529 -3.6529 4.3399 4.3399 4.9970 4.9970 5.3006 5.3006 5.5082 5.5082 5.9598 5.9598 6.0618 6.0618 6.3334 6.3334 7.8383 7.8383 7.8731 7.8731 7.9494 7.9494 8.0188 8.0188 11.5110 11.5110 12.1626 12.1626 13.4387 13.4387 14.5570 14.5570 k = 0.5000-0.7986-0.4865 ( 2812 PWs) bands (ev): -6.2003 -6.2003 -5.8266 -5.8266 -5.2256 -5.2256 -5.0111 -5.0111 -4.8738 -4.8738 -3.6504 -3.6504 -2.3213 -2.3213 2.5309 2.5309 3.5106 3.5106 4.7012 4.7012 4.9407 4.9407 5.7811 5.7811 6.2419 6.2419 6.6096 6.6096 6.8507 6.8507 6.9693 6.9693 7.4372 7.4372 7.7048 7.7048 10.5575 10.5575 11.7691 11.7691 14.4554 14.4554 14.5865 14.5865 k = 0.5185-0.7902-0.4813 ( 2814 PWs) bands (ev): -6.2003 -6.2003 -5.8266 -5.8266 -5.2257 -5.2257 -5.0111 -5.0111 -4.8738 -4.8738 -3.6504 -3.6504 -2.3214 -2.3214 2.5292 2.5292 3.5115 3.5115 4.7044 4.7044 4.9418 4.9418 5.7809 5.7809 6.2413 6.2413 6.6017 6.6017 6.8520 6.8520 6.9624 6.9624 7.4440 7.4440 7.7127 7.7127 10.5493 10.5493 11.7774 11.7774 14.4083 14.4083 14.6228 14.6228 k = 0.5370-0.7817-0.4762 ( 2813 PWs) bands (ev): -6.2002 -6.2002 -5.8266 -5.8266 -5.2257 -5.2257 -5.0111 -5.0111 -4.8738 -4.8738 -3.6503 -3.6503 -2.3216 -2.3216 2.5242 2.5242 3.5142 3.5142 4.7139 4.7139 4.9450 4.9450 5.7803 5.7803 6.2395 6.2395 6.5800 6.5800 6.8537 6.8537 6.9436 6.9436 7.4639 7.4639 7.7354 7.7354 10.5255 10.5255 11.8015 11.8015 14.3188 14.3188 14.6801 14.6801 k = 0.5555-0.7733-0.4710 ( 2813 PWs) bands (ev): -6.2002 -6.2002 -5.8266 -5.8266 -5.2257 -5.2257 -5.0111 -5.0111 -4.8738 -4.8738 -3.6500 -3.6500 -2.3220 -2.3220 2.5161 2.5161 3.5186 3.5186 4.7295 4.7295 4.9503 4.9503 5.7794 5.7794 6.2364 6.2364 6.5483 6.5483 6.8497 6.8497 6.9189 6.9189 7.4959 7.4959 7.7704 7.7704 10.4878 10.4878 11.8397 11.8397 14.2158 14.2158 14.7311 14.7311 k = 0.5740-0.7648-0.4659 ( 2810 PWs) bands (ev): -6.2002 -6.2002 -5.8266 -5.8266 -5.2257 -5.2257 -5.0112 -5.0112 -4.8738 -4.8738 -3.6497 -3.6497 -2.3225 -2.3225 2.5051 2.5051 3.5246 3.5246 4.7508 4.7508 4.9578 4.9578 5.7780 5.7780 6.2315 6.2315 6.5110 6.5110 6.8289 6.8289 6.9000 6.9000 7.5383 7.5383 7.8147 7.8147 10.4388 10.4388 11.8896 11.8896 14.1053 14.1053 14.7717 14.7717 k = 0.5925-0.7564-0.4607 ( 2814 PWs) bands (ev): -6.2002 -6.2002 -5.8266 -5.8266 -5.2257 -5.2257 -5.0112 -5.0112 -4.8739 -4.8739 -3.6493 -3.6493 -2.3232 -2.3232 2.4916 2.4916 3.5320 3.5320 4.7776 4.7776 4.9674 4.9674 5.7761 5.7761 6.2241 6.2241 6.4714 6.4714 6.7888 6.7888 6.8908 6.8908 7.5895 7.5895 7.8656 7.8656 10.3810 10.3810 11.9489 11.9489 13.9902 13.9902 14.8015 14.8015 k = 0.6110-0.7479-0.4556 ( 2812 PWs) bands (ev): -6.2002 -6.2002 -5.8266 -5.8266 -5.2258 -5.2258 -5.0112 -5.0112 -4.8739 -4.8739 -3.6489 -3.6489 -2.3240 -2.3240 2.4760 2.4760 3.5408 3.5408 4.8092 4.8092 4.9794 4.9794 5.7737 5.7737 6.2135 6.2135 6.4325 6.4325 6.7383 6.7383 6.8844 6.8844 7.6475 7.6475 7.9210 7.9210 10.3168 10.3168 12.0153 12.0153 13.8724 13.8724 14.8217 14.8217 k = 0.6295-0.7395-0.4504 ( 2810 PWs) bands (ev): -6.2002 -6.2002 -5.8267 -5.8267 -5.2258 -5.2258 -5.0112 -5.0112 -4.8740 -4.8740 -3.6484 -3.6484 -2.3250 -2.3250 2.4589 2.4589 3.5507 3.5507 4.8449 4.8449 4.9938 4.9938 5.7706 5.7706 6.1985 6.1985 6.3971 6.3971 6.6828 6.6828 6.8770 6.8770 7.7109 7.7109 7.9791 7.9791 10.2481 10.2481 12.0870 12.0870 13.7534 13.7534 14.8334 14.8334 k = 0.6480-0.7310-0.4453 ( 2812 PWs) bands (ev): -6.2002 -6.2002 -5.8267 -5.8267 -5.2259 -5.2259 -5.0113 -5.0113 -4.8740 -4.8740 -3.6480 -3.6480 -2.3260 -2.3260 2.4406 2.4406 3.5617 3.5617 4.8838 4.8838 5.0109 5.0109 5.7668 5.7668 6.1782 6.1782 6.3670 6.3670 6.6249 6.6249 6.8673 6.8673 7.7781 7.7781 8.0387 8.0387 10.1768 10.1768 12.1624 12.1624 13.6346 13.6346 14.8379 14.8379 k = 0.6665-0.7226-0.4401 ( 2816 PWs) bands (ev): -6.2001 -6.2001 -5.8267 -5.8267 -5.2259 -5.2259 -5.0113 -5.0113 -4.8741 -4.8741 -3.6476 -3.6476 -2.3271 -2.3271 2.4216 2.4216 3.5735 3.5735 4.9246 4.9246 5.0311 5.0311 5.7619 5.7619 6.1530 6.1530 6.3428 6.3428 6.5662 6.5662 6.8550 6.8550 7.8482 7.8482 8.0988 8.0988 10.1043 10.1043 12.2401 12.2401 13.5175 13.5175 14.8363 14.8363 k = 0.6850-0.7141-0.4350 ( 2814 PWs) bands (ev): -6.2001 -6.2001 -5.8267 -5.8267 -5.2260 -5.2260 -5.0114 -5.0114 -4.8742 -4.8742 -3.6472 -3.6472 -2.3283 -2.3283 2.4024 2.4024 3.5862 3.5862 4.9655 4.9655 5.0556 5.0556 5.7559 5.7559 6.1245 6.1245 6.3233 6.3233 6.5082 6.5082 6.8401 6.8401 7.9201 7.9201 8.1585 8.1585 10.0318 10.0318 12.3184 12.3184 13.4036 13.4036 14.8296 14.8296 k = 0.7035-0.7057-0.4299 ( 2816 PWs) bands (ev): -6.2000 -6.2000 -5.8268 -5.8268 -5.2260 -5.2260 -5.0114 -5.0114 -4.8743 -4.8743 -3.6469 -3.6469 -2.3296 -2.3296 2.3833 2.3833 3.5995 3.5995 5.0042 5.0042 5.0856 5.0856 5.7483 5.7483 6.0952 6.0952 6.3058 6.3058 6.4528 6.4528 6.8225 6.8225 7.9930 7.9930 8.2173 8.2173 9.9605 9.9605 12.3956 12.3956 13.2950 13.2950 14.8184 14.8184 k = 0.7220-0.6972-0.4247 ( 2815 PWs) bands (ev): -6.1999 -6.1999 -5.8268 -5.8268 -5.2261 -5.2261 -5.0115 -5.0115 -4.8743 -4.8743 -3.6468 -3.6468 -2.3308 -2.3308 2.3646 2.3646 3.6134 3.6134 5.0389 5.0389 5.1219 5.1219 5.7390 5.7390 6.0675 6.0675 6.2859 6.2859 6.4035 6.4035 6.8020 6.8020 8.0662 8.0662 8.2744 8.2744 9.8914 9.8914 12.4684 12.4684 13.1951 13.1951 14.8033 14.8033 k = 0.7405-0.6888-0.4196 ( 2815 PWs) bands (ev): -6.1998 -6.1998 -5.8268 -5.8268 -5.2262 -5.2262 -5.0115 -5.0115 -4.8744 -4.8744 -3.6468 -3.6468 -2.3321 -2.3321 2.3468 2.3468 3.6278 3.6278 5.0698 5.0698 5.1632 5.1632 5.7278 5.7278 6.0435 6.0435 6.2572 6.2572 6.3659 6.3659 6.7787 6.7787 8.1388 8.1388 8.3294 8.3294 9.8254 9.8254 12.5310 12.5310 13.1099 13.1099 14.7846 14.7846 k = 0.7590-0.6803-0.4144 ( 2815 PWs) bands (ev): -6.1997 -6.1997 -5.8268 -5.8268 -5.2262 -5.2262 -5.0116 -5.0116 -4.8745 -4.8745 -3.6470 -3.6470 -2.3334 -2.3334 2.3302 2.3302 3.6426 3.6426 5.0982 5.0982 5.2066 5.2066 5.7149 5.7149 6.0247 6.0247 6.2167 6.2167 6.3426 6.3426 6.7526 6.7526 8.2101 8.2101 8.3818 8.3818 9.7636 9.7636 12.5728 12.5728 13.0505 13.0505 14.7626 14.7626 k = 0.7775-0.6719-0.4093 ( 2814 PWs) bands (ev): -6.1995 -6.1995 -5.8269 -5.8269 -5.2262 -5.2262 -5.0116 -5.0116 -4.8746 -4.8746 -3.6474 -3.6474 -2.3347 -2.3347 2.3148 2.3148 3.6577 3.6577 5.1251 5.1251 5.2496 5.2496 5.7009 5.7009 6.0122 6.0122 6.1684 6.1684 6.3296 6.3296 6.7235 6.7235 8.2794 8.2794 8.4311 8.4311 9.7067 9.7067 12.5796 12.5796 13.0314 13.0314 14.7373 14.7373 k = 0.7960-0.6635-0.4041 ( 2806 PWs) bands (ev): -6.1993 -6.1993 -5.8269 -5.8269 -5.2262 -5.2262 -5.0116 -5.0116 -4.8747 -4.8747 -3.6481 -3.6481 -2.3359 -2.3359 2.3011 2.3011 3.6731 3.6731 5.1510 5.1510 5.2898 5.2898 5.6869 5.6869 6.0061 6.0061 6.1176 6.1176 6.3216 6.3216 6.6917 6.6917 8.3459 8.3459 8.4769 8.4769 9.6557 9.6557 12.5479 12.5479 13.0563 13.0563 14.7090 14.7090 k = 0.8145-0.6550-0.3990 ( 2798 PWs) bands (ev): -6.1991 -6.1991 -5.8268 -5.8268 -5.2262 -5.2262 -5.0116 -5.0116 -4.8747 -4.8747 -3.6490 -3.6490 -2.3371 -2.3371 2.2891 2.2891 3.6885 3.6885 5.1757 5.1757 5.3255 5.3255 5.6744 5.6744 6.0055 6.0055 6.0680 6.0680 6.3163 6.3163 6.6573 6.6573 8.4089 8.4089 8.5189 8.5189 9.6111 9.6111 12.4914 12.4914 13.1120 13.1120 14.6776 14.6776 Writing output data file InAgS2.save init_run : 0.35s CPU 0.46s WALL ( 1 calls) electrons : 152.48s CPU 154.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 152.48s CPU 154.57s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 325 calls) cegterg : 138.13s CPU 139.71s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 103.69s CPU 105.00s WALL ( 6652 calls) s_psi : 3.70s CPU 3.61s WALL ( 6652 calls) g_psi : 0.11s CPU 0.13s WALL ( 5947 calls) cdiaghg : 35.10s CPU 35.51s WALL ( 6272 calls) cegterg:over : 3.08s CPU 3.09s WALL ( 5947 calls) cegterg:upda : 2.20s CPU 2.29s WALL ( 5947 calls) cegterg:last : 1.27s CPU 1.29s WALL ( 1030 calls) cdiaghg:chol : 1.90s CPU 1.91s WALL ( 6272 calls) cdiaghg:inve : 1.12s CPU 1.14s WALL ( 6272 calls) cdiaghg:para : 2.06s CPU 2.01s WALL ( 12544 calls) Called by h_psi: h_psi:vloc : 96.20s CPU 97.39s WALL ( 6652 calls) h_psi:vnl : 7.38s CPU 7.49s WALL ( 6652 calls) add_vuspsi : 4.07s CPU 4.10s WALL ( 6652 calls) General routines calbec : 3.30s CPU 3.38s WALL ( 6652 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.61s CPU 91.72s WALL ( 602920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.25s WALL ( 650 calls) Parallel routines fft_scatter : 21.62s CPU 21.91s WALL ( 602943 calls) PWSCF : 2m45.01s CPU 3m 7.80s WALL This run was terminated on: 18:30:50 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=