Program PWSCF v.5.1.1 starts on 11Oct2015 at 2:40:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2099 449 76 Max 55 20 7 2105 469 80 Sum 2617 949 293 100815 21951 3719 bravais-lattice index = 14 lattice parameter (alat) = 7.5608 a.u. unit-cell volume = 432.2129 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.560794 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002618 celldm(5)= 0.002618 celldm(6)= 0.002618 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002618 0.999997 0.000000 ) a(3) = ( 0.002618 0.002611 0.999993 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002618 -0.002611 ) b(2) = ( 0.000000 1.000003 -0.002611 ) b(3) = ( 0.000000 0.000000 1.000007 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000327 -0.0000326), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000654 -0.0000653), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0000982 -0.0000979), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001309 -0.0001306), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001636 -0.0001632), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0001963 -0.0001958), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002291 -0.0002285), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002618 -0.0002611), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0002945 -0.0002938), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003272 -0.0003264), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003600 -0.0003590), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0003927 -0.0003917), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004254 -0.0004243), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004581 -0.0004570), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0004909 -0.0004896), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005236 -0.0005222), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005563 -0.0005549), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0005890 -0.0005875), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006218 -0.0006202), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006545 -0.0006528), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0006872 -0.0006854), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007199 -0.0007181), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0007527 -0.0007507), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0007854 -0.0007834), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008181 -0.0008160), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0008508 -0.0008486), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0008836 -0.0008813), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009163 -0.0009139), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0009490 -0.0009466), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0009817 -0.0009792), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010145 -0.0010118), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0010472 -0.0010445), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0010799 -0.0010771), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0011126 -0.0011097), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0011454 -0.0011424), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0011781 -0.0011750), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0012108 -0.0012077), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0012435 -0.0012403), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0012763 -0.0012729), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0013090 -0.0013056), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0013090 -0.0013056), wk = 0.0030488 k( 43) = ( 0.5000000 0.0075731 -0.0102109), wk = 0.0030488 k( 44) = ( 0.5000000 0.0164552 -0.0191162), wk = 0.0030488 k( 45) = ( 0.5000000 0.0253373 -0.0280215), wk = 0.0030488 k( 46) = ( 0.5000000 0.0342194 -0.0369269), wk = 0.0030488 k( 47) = ( 0.5000000 0.0431015 -0.0458322), wk = 0.0030488 k( 48) = ( 0.5000000 0.0519836 -0.0547375), wk = 0.0030488 k( 49) = ( 0.5000000 0.0608657 -0.0636428), wk = 0.0030488 k( 50) = ( 0.5000000 0.0697478 -0.0725481), wk = 0.0030488 k( 51) = ( 0.5000000 0.0786299 -0.0814535), wk = 0.0030488 k( 52) = ( 0.5000000 0.0875120 -0.0903588), wk = 0.0030488 k( 53) = ( 0.5000000 0.0963941 -0.0992641), wk = 0.0030488 k( 54) = ( 0.5000000 0.1052761 -0.1081694), wk = 0.0030488 k( 55) = ( 0.5000000 0.1141582 -0.1170747), wk = 0.0030488 k( 56) = ( 0.5000000 0.1230403 -0.1259800), wk = 0.0030488 k( 57) = ( 0.5000000 0.1319224 -0.1348854), wk = 0.0030488 k( 58) = ( 0.5000000 0.1408045 -0.1437907), wk = 0.0030488 k( 59) = ( 0.5000000 0.1496866 -0.1526960), wk = 0.0030488 k( 60) = ( 0.5000000 0.1585687 -0.1616013), wk = 0.0030488 k( 61) = ( 0.5000000 0.1674508 -0.1705066), wk = 0.0030488 k( 62) = ( 0.5000000 0.1763329 -0.1794120), wk = 0.0030488 k( 63) = ( 0.5000000 0.1852150 -0.1883173), wk = 0.0030488 k( 64) = ( 0.5000000 0.1940971 -0.1972226), wk = 0.0030488 k( 65) = ( 0.5000000 0.2029792 -0.2061279), wk = 0.0030488 k( 66) = ( 0.5000000 0.2118613 -0.2150332), wk = 0.0030488 k( 67) = ( 0.5000000 0.2207434 -0.2239385), wk = 0.0030488 k( 68) = ( 0.5000000 0.2296255 -0.2328439), wk = 0.0030488 k( 69) = ( 0.5000000 0.2385076 -0.2417492), wk = 0.0030488 k( 70) = ( 0.5000000 0.2473897 -0.2506545), wk = 0.0030488 k( 71) = ( 0.5000000 0.2562718 -0.2595598), wk = 0.0030488 k( 72) = ( 0.5000000 0.2651539 -0.2684651), wk = 0.0030488 k( 73) = ( 0.5000000 0.2740360 -0.2773705), wk = 0.0030488 k( 74) = ( 0.5000000 0.2829181 -0.2862758), wk = 0.0030488 k( 75) = ( 0.5000000 0.2918002 -0.2951811), wk = 0.0030488 k( 76) = ( 0.5000000 0.3006822 -0.3040864), wk = 0.0030488 k( 77) = ( 0.5000000 0.3095643 -0.3129917), wk = 0.0030488 k( 78) = ( 0.5000000 0.3184464 -0.3218970), wk = 0.0030488 k( 79) = ( 0.5000000 0.3273285 -0.3308024), wk = 0.0030488 k( 80) = ( 0.5000000 0.3362106 -0.3397077), wk = 0.0030488 k( 81) = ( 0.5000000 0.3450927 -0.3486130), wk = 0.0030488 k( 82) = ( 0.5000000 0.3539748 -0.3575183), wk = 0.0030488 k( 83) = ( 0.5000000 0.3628569 -0.3664236), wk = 0.0030488 k( 84) = ( 0.5000000 0.3717390 -0.3753290), wk = 0.0030488 k( 85) = ( 0.5000000 0.3806211 -0.3842343), wk = 0.0030488 k( 86) = ( 0.5000000 0.3895032 -0.3931396), wk = 0.0030488 k( 87) = ( 0.5000000 0.3983853 -0.4020449), wk = 0.0030488 k( 88) = ( 0.5000000 0.4072674 -0.4109502), wk = 0.0030488 k( 89) = ( 0.5000000 0.4161495 -0.4198556), wk = 0.0030488 k( 90) = ( 0.5000000 0.4250316 -0.4287609), wk = 0.0030488 k( 91) = ( 0.5000000 0.4339137 -0.4376662), wk = 0.0030488 k( 92) = ( 0.5000000 0.4427958 -0.4465715), wk = 0.0030488 k( 93) = ( 0.5000000 0.4516779 -0.4554768), wk = 0.0030488 k( 94) = ( 0.5000000 0.4605600 -0.4643821), wk = 0.0030488 k( 95) = ( 0.5000000 0.4694421 -0.4732875), wk = 0.0030488 k( 96) = ( 0.5000000 0.4783242 -0.4821928), wk = 0.0030488 k( 97) = ( 0.5000000 0.4872063 -0.4910981), wk = 0.0030488 k( 98) = ( 0.5000000 0.4960884 -0.5000034), wk = 0.0030488 k( 99) = ( 0.5026044 0.4986859 0.4947811), wk = 0.0030488 k( 100) = ( 0.5000000 0.4986927 0.4973922), wk = 0.0030488 k( 101) = ( 0.5000000 0.4986927 0.4973922), wk = 0.0030488 k( 102) = ( 0.4926471 0.4913590 0.4900777), wk = 0.0030488 k( 103) = ( 0.4852941 0.4840253 0.4827631), wk = 0.0030488 k( 104) = ( 0.4779412 0.4766916 0.4754485), wk = 0.0030488 k( 105) = ( 0.4705882 0.4693579 0.4681339), wk = 0.0030488 k( 106) = ( 0.4632353 0.4620241 0.4608193), wk = 0.0030488 k( 107) = ( 0.4558823 0.4546904 0.4535047), wk = 0.0030488 k( 108) = ( 0.4485294 0.4473567 0.4461901), wk = 0.0030488 k( 109) = ( 0.4411765 0.4400230 0.4388755), wk = 0.0030488 k( 110) = ( 0.4338235 0.4326893 0.4315609), wk = 0.0030488 k( 111) = ( 0.4264706 0.4253556 0.4242463), wk = 0.0030488 k( 112) = ( 0.4191177 0.4180218 0.4169317), wk = 0.0030488 k( 113) = ( 0.4117647 0.4106881 0.4096171), wk = 0.0030488 k( 114) = ( 0.4044118 0.4033544 0.4023025), wk = 0.0030488 k( 115) = ( 0.3970588 0.3960207 0.3949880), wk = 0.0030488 k( 116) = ( 0.3897059 0.3886870 0.3876734), wk = 0.0030488 k( 117) = ( 0.3823529 0.3813533 0.3803588), wk = 0.0030488 k( 118) = ( 0.3750000 0.3740195 0.3730442), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666858 0.3657296), wk = 0.0030488 k( 120) = ( 0.3602941 0.3593521 0.3584150), wk = 0.0030488 k( 121) = ( 0.3529412 0.3520184 0.3511004), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446847 0.3437858), wk = 0.0030488 k( 123) = ( 0.3382353 0.3373509 0.3364712), wk = 0.0030488 k( 124) = ( 0.3308823 0.3300172 0.3291566), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226835 0.3218420), wk = 0.0030488 k( 126) = ( 0.3161765 0.3153498 0.3145274), wk = 0.0030488 k( 127) = ( 0.3088235 0.3080161 0.3072129), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006824 0.2998983), wk = 0.0030488 k( 129) = ( 0.2941177 0.2933487 0.2925837), wk = 0.0030488 k( 130) = ( 0.2867647 0.2860149 0.2852691), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786812 0.2779545), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713475 0.2706399), wk = 0.0030488 k( 133) = ( 0.2647059 0.2640138 0.2633253), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566801 0.2560107), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493464 0.2486961), wk = 0.0030488 k( 136) = ( 0.2426471 0.2420126 0.2413815), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346789 0.2340669), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273452 0.2267524), wk = 0.0030488 k( 139) = ( 0.2205882 0.2200115 0.2194378), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126778 0.2121232), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053441 0.2048086), wk = 0.0030488 k( 142) = ( 0.1985294 0.1980103 0.1974940), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906766 0.1901794), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833429 0.1828648), wk = 0.0030488 k( 145) = ( 0.1764706 0.1760092 0.1755502), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686755 0.1682356), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613418 0.1609210), wk = 0.0030488 k( 148) = ( 0.1544118 0.1540080 0.1536064), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466743 0.1462918), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393406 0.1389772), wk = 0.0030488 k( 151) = ( 0.1323529 0.1320069 0.1316627), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246732 0.1243481), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173395 0.1170335), wk = 0.0030488 k( 154) = ( 0.1102941 0.1100057 0.1097189), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026720 0.1024043), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953383 0.0950897), wk = 0.0030488 k( 157) = ( 0.0882353 0.0880046 0.0877751), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806709 0.0804605), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733372 0.0731459), wk = 0.0030488 k( 160) = ( 0.0661765 0.0660034 0.0658313), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586697 0.0585167), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513360 0.0512021), wk = 0.0030488 k( 163) = ( 0.0441177 0.0440023 0.0438876), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366686 0.0365730), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293349 0.0292584), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220011 0.0219438), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146674 0.0146292), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073337 0.0073146), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089053 -0.0000233 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178106 -0.0000466 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267159 -0.0000699 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356213 -0.0000933 -0.0357145), wk = 0.0030488 k( 175) = ( 0.0445266 -0.0001166 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534319 -0.0001399 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623372 -0.0001632 -0.0625004), wk = 0.0030488 k( 178) = ( 0.0712426 -0.0001865 -0.0714291), wk = 0.0030488 k( 179) = ( 0.0801479 -0.0002098 -0.0803577), wk = 0.0030488 k( 180) = ( 0.0890532 -0.0002331 -0.0892863), wk = 0.0030488 k( 181) = ( 0.0979585 -0.0002565 -0.0982150), wk = 0.0030488 k( 182) = ( 0.1068638 -0.0002798 -0.1071436), wk = 0.0030488 k( 183) = ( 0.1157691 -0.0003031 -0.1160722), wk = 0.0030488 k( 184) = ( 0.1246745 -0.0003264 -0.1250009), wk = 0.0030488 k( 185) = ( 0.1335798 -0.0003497 -0.1339295), wk = 0.0030488 k( 186) = ( 0.1424851 -0.0003730 -0.1428581), wk = 0.0030488 k( 187) = ( 0.1513904 -0.0003963 -0.1517868), wk = 0.0030488 k( 188) = ( 0.1602957 -0.0004197 -0.1607154), wk = 0.0030488 k( 189) = ( 0.1692010 -0.0004430 -0.1696440), wk = 0.0030488 k( 190) = ( 0.1781064 -0.0004663 -0.1785727), wk = 0.0030488 k( 191) = ( 0.1870117 -0.0004896 -0.1875013), wk = 0.0030488 k( 192) = ( 0.1959170 -0.0005129 -0.1964299), wk = 0.0030488 k( 193) = ( 0.2048223 -0.0005362 -0.2053585), wk = 0.0030488 k( 194) = ( 0.2137276 -0.0005595 -0.2142872), wk = 0.0030488 k( 195) = ( 0.2226330 -0.0005829 -0.2232158), wk = 0.0030488 k( 196) = ( 0.2315383 -0.0006062 -0.2321444), wk = 0.0030488 k( 197) = ( 0.2404436 -0.0006295 -0.2410731), wk = 0.0030488 k( 198) = ( 0.2493489 -0.0006528 -0.2500017), wk = 0.0030488 k( 199) = ( 0.2582542 -0.0006761 -0.2589303), wk = 0.0030488 k( 200) = ( 0.2671596 -0.0006994 -0.2678590), wk = 0.0030488 k( 201) = ( 0.2760649 -0.0007227 -0.2767876), wk = 0.0030488 k( 202) = ( 0.2849702 -0.0007461 -0.2857162), wk = 0.0030488 k( 203) = ( 0.2938755 -0.0007694 -0.2946449), wk = 0.0030488 k( 204) = ( 0.3027808 -0.0007927 -0.3035735), wk = 0.0030488 k( 205) = ( 0.3116861 -0.0008160 -0.3125021), wk = 0.0030488 k( 206) = ( 0.3205915 -0.0008393 -0.3214308), wk = 0.0030488 k( 207) = ( 0.3294968 -0.0008626 -0.3303594), wk = 0.0030488 k( 208) = ( 0.3384021 -0.0008859 -0.3392880), wk = 0.0030488 k( 209) = ( 0.3473074 -0.0009093 -0.3482167), wk = 0.0030488 k( 210) = ( 0.3562127 -0.0009326 -0.3571453), wk = 0.0030488 k( 211) = ( 0.3651181 -0.0009559 -0.3660739), wk = 0.0030488 k( 212) = ( 0.3740234 -0.0009792 -0.3750026), wk = 0.0030488 k( 213) = ( 0.3829287 -0.0010025 -0.3839312), wk = 0.0030488 k( 214) = ( 0.3918340 -0.0010258 -0.3928598), wk = 0.0030488 k( 215) = ( 0.4007393 -0.0010491 -0.4017885), wk = 0.0030488 k( 216) = ( 0.4096446 -0.0010724 -0.4107171), wk = 0.0030488 k( 217) = ( 0.4185500 -0.0010958 -0.4196457), wk = 0.0030488 k( 218) = ( 0.4274553 -0.0011191 -0.4285744), wk = 0.0030488 k( 219) = ( 0.4363606 -0.0011424 -0.4375030), wk = 0.0030488 k( 220) = ( 0.4452659 -0.0011657 -0.4464316), wk = 0.0030488 k( 221) = ( 0.4541712 -0.0011890 -0.4553603), wk = 0.0030488 k( 222) = ( 0.4630765 -0.0012123 -0.4642889), wk = 0.0030488 k( 223) = ( 0.4719819 -0.0012356 -0.4732175), wk = 0.0030488 k( 224) = ( 0.4808872 -0.0012590 -0.4821462), wk = 0.0030488 k( 225) = ( 0.4897925 -0.0012823 -0.4910748), wk = 0.0030488 k( 226) = ( 0.4986978 -0.0013056 -0.5000034), wk = 0.0030488 k( 227) = ( 0.5013022 0.4973871 -0.0026112), wk = 0.0030488 k( 228) = ( 0.5000000 0.4986927 -0.0026112), wk = 0.0030488 k( 229) = ( 0.5000000 0.4986927 -0.0026112), wk = 0.0030488 k( 230) = ( 0.5000326 0.4987252 0.0098236), wk = 0.0030488 k( 231) = ( 0.5000651 0.4987577 0.0222584), wk = 0.0030488 k( 232) = ( 0.5000977 0.4987901 0.0346932), wk = 0.0030488 k( 233) = ( 0.5001302 0.4988226 0.0471280), wk = 0.0030488 k( 234) = ( 0.5001628 0.4988551 0.0595629), wk = 0.0030488 k( 235) = ( 0.5001953 0.4988875 0.0719977), wk = 0.0030488 k( 236) = ( 0.5002279 0.4989200 0.0844325), wk = 0.0030488 k( 237) = ( 0.5002604 0.4989525 0.0968673), wk = 0.0030488 k( 238) = ( 0.5002930 0.4989849 0.1093021), wk = 0.0030488 k( 239) = ( 0.5003255 0.4990174 0.1217369), wk = 0.0030488 k( 240) = ( 0.5003581 0.4990499 0.1341717), wk = 0.0030488 k( 241) = ( 0.5003907 0.4990823 0.1466065), wk = 0.0030488 k( 242) = ( 0.5004232 0.4991148 0.1590413), wk = 0.0030488 k( 243) = ( 0.5004558 0.4991473 0.1714761), wk = 0.0030488 k( 244) = ( 0.5004883 0.4991798 0.1839109), wk = 0.0030488 k( 245) = ( 0.5005209 0.4992122 0.1963457), wk = 0.0030488 k( 246) = ( 0.5005534 0.4992447 0.2087805), wk = 0.0030488 k( 247) = ( 0.5005860 0.4992772 0.2212153), wk = 0.0030488 k( 248) = ( 0.5006185 0.4993096 0.2336501), wk = 0.0030488 k( 249) = ( 0.5006511 0.4993421 0.2460849), wk = 0.0030488 k( 250) = ( 0.5006836 0.4993746 0.2585198), wk = 0.0030488 k( 251) = ( 0.5007162 0.4994070 0.2709546), wk = 0.0030488 k( 252) = ( 0.5007487 0.4994395 0.2833894), wk = 0.0030488 k( 253) = ( 0.5007813 0.4994720 0.2958242), wk = 0.0030488 k( 254) = ( 0.5008139 0.4995044 0.3082590), wk = 0.0030488 k( 255) = ( 0.5008464 0.4995369 0.3206938), wk = 0.0030488 k( 256) = ( 0.5008790 0.4995694 0.3331286), wk = 0.0030488 k( 257) = ( 0.5009115 0.4996019 0.3455634), wk = 0.0030488 k( 258) = ( 0.5009441 0.4996343 0.3579982), wk = 0.0030488 k( 259) = ( 0.5009766 0.4996668 0.3704330), wk = 0.0030488 k( 260) = ( 0.5010092 0.4996993 0.3828678), wk = 0.0030488 k( 261) = ( 0.5010417 0.4997317 0.3953026), wk = 0.0030488 k( 262) = ( 0.5010743 0.4997642 0.4077374), wk = 0.0030488 k( 263) = ( 0.5011068 0.4997967 0.4201722), wk = 0.0030488 k( 264) = ( 0.5011394 0.4998291 0.4326070), wk = 0.0030488 k( 265) = ( 0.5011720 0.4998616 0.4450418), wk = 0.0030488 k( 266) = ( 0.5012045 0.4998941 0.4574767), wk = 0.0030488 k( 267) = ( 0.5012371 0.4999265 0.4699115), wk = 0.0030488 k( 268) = ( 0.5012696 0.4999590 0.4823463), wk = 0.0030488 k( 269) = ( 0.5013022 0.4999915 0.4947811), wk = 0.0030488 k( 270) = ( 0.5013022 0.4999915 0.4947811), wk = 0.0030488 k( 271) = ( 0.5000000 0.4986927 0.4973922), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0013090 -0.0013056), wk = 0.0030488 k( 273) = ( 0.5000465 0.0075962 0.0075764), wk = 0.0030488 k( 274) = ( 0.5000930 0.0165015 0.0164584), wk = 0.0030488 k( 275) = ( 0.5001395 0.0254067 0.0253404), wk = 0.0030488 k( 276) = ( 0.5001860 0.0343119 0.0342224), wk = 0.0030488 k( 277) = ( 0.5002325 0.0432171 0.0431044), wk = 0.0030488 k( 278) = ( 0.5002790 0.0521224 0.0519864), wk = 0.0030488 k( 279) = ( 0.5003255 0.0610276 0.0608684), wk = 0.0030488 k( 280) = ( 0.5003720 0.0699328 0.0697505), wk = 0.0030488 k( 281) = ( 0.5004186 0.0788380 0.0786324), wk = 0.0030488 k( 282) = ( 0.5004651 0.0877433 0.0875145), wk = 0.0030488 k( 283) = ( 0.5005116 0.0966485 0.0963965), wk = 0.0030488 k( 284) = ( 0.5005581 0.1055537 0.1052785), wk = 0.0030488 k( 285) = ( 0.5006046 0.1144590 0.1141605), wk = 0.0030488 k( 286) = ( 0.5006511 0.1233642 0.1230425), wk = 0.0030488 k( 287) = ( 0.5006976 0.1322694 0.1319245), wk = 0.0030488 k( 288) = ( 0.5007441 0.1411746 0.1408065), wk = 0.0030488 k( 289) = ( 0.5007906 0.1500799 0.1496885), wk = 0.0030488 k( 290) = ( 0.5008371 0.1589851 0.1585705), wk = 0.0030488 k( 291) = ( 0.5008836 0.1678903 0.1674525), wk = 0.0030488 k( 292) = ( 0.5009301 0.1767955 0.1763345), wk = 0.0030488 k( 293) = ( 0.5009766 0.1857008 0.1852165), wk = 0.0030488 k( 294) = ( 0.5010231 0.1946060 0.1940985), wk = 0.0030488 k( 295) = ( 0.5010697 0.2035112 0.2029805), wk = 0.0030488 k( 296) = ( 0.5011161 0.2124165 0.2118625), wk = 0.0030488 k( 297) = ( 0.5011627 0.2213217 0.2207445), wk = 0.0030488 k( 298) = ( 0.5012092 0.2302269 0.2296265), wk = 0.0030488 k( 299) = ( 0.5012557 0.2391321 0.2385085), wk = 0.0030488 k( 300) = ( 0.5013022 0.2480374 0.2473905), wk = 0.0030488 k( 301) = ( 0.5013487 0.2569426 0.2562725), wk = 0.0030488 k( 302) = ( 0.5013952 0.2658478 0.2651545), wk = 0.0030488 k( 303) = ( 0.5014417 0.2747530 0.2740366), wk = 0.0030488 k( 304) = ( 0.5014882 0.2836583 0.2829185), wk = 0.0030488 k( 305) = ( 0.5015347 0.2925635 0.2918006), wk = 0.0030488 k( 306) = ( 0.5015812 0.3014687 0.3006826), wk = 0.0030488 k( 307) = ( 0.5016277 0.3103739 0.3095646), wk = 0.0030488 k( 308) = ( 0.5016742 0.3192792 0.3184466), wk = 0.0030488 k( 309) = ( 0.5017207 0.3281844 0.3273286), wk = 0.0030488 k( 310) = ( 0.5017672 0.3370896 0.3362106), wk = 0.0030488 k( 311) = ( 0.5018137 0.3459949 0.3450926), wk = 0.0030488 k( 312) = ( 0.5018603 0.3549001 0.3539746), wk = 0.0030488 k( 313) = ( 0.5019068 0.3638053 0.3628566), wk = 0.0030488 k( 314) = ( 0.5019533 0.3727105 0.3717386), wk = 0.0030488 k( 315) = ( 0.5019998 0.3816158 0.3806206), wk = 0.0030488 k( 316) = ( 0.5020463 0.3905210 0.3895026), wk = 0.0030488 k( 317) = ( 0.5020928 0.3994262 0.3983846), wk = 0.0030488 k( 318) = ( 0.5021393 0.4083314 0.4072666), wk = 0.0030488 k( 319) = ( 0.5021858 0.4172367 0.4161486), wk = 0.0030488 k( 320) = ( 0.5022323 0.4261419 0.4250306), wk = 0.0030488 k( 321) = ( 0.5022788 0.4350471 0.4339126), wk = 0.0030488 k( 322) = ( 0.5023253 0.4439523 0.4427946), wk = 0.0030488 k( 323) = ( 0.5023718 0.4528576 0.4516766), wk = 0.0030488 k( 324) = ( 0.5024183 0.4617628 0.4605586), wk = 0.0030488 k( 325) = ( 0.5024648 0.4706680 0.4694406), wk = 0.0030488 k( 326) = ( 0.5025113 0.4795733 0.4783227), wk = 0.0030488 k( 327) = ( 0.5025578 0.4884785 0.4872047), wk = 0.0030488 k( 328) = ( 0.5026044 0.4973837 0.4960867), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0030488 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030488 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0030488 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0030488 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030488 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030488 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030488 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030488 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030488 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0030488 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0030488 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0030488 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0030488 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0030488 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0030488 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030488 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0030488 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0030488 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0030488 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0088821 -0.0088821), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177641 -0.0177641), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266462 -0.0266462), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355283 -0.0355283), wk = 0.0030488 k( 47) = ( 0.5000000 0.0444103 -0.0444103), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532924 -0.0532924), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621745 -0.0621745), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710565 -0.0710565), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799386 -0.0799386), wk = 0.0030488 k( 52) = ( 0.5000000 0.0888207 -0.0888207), wk = 0.0030488 k( 53) = ( 0.5000000 0.0977027 -0.0977027), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065848 -0.1065848), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154668 -0.1154669), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243489 -0.1243489), wk = 0.0030488 k( 57) = ( 0.5000000 0.1332310 -0.1332310), wk = 0.0030488 k( 58) = ( 0.5000000 0.1421130 -0.1421130), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509951 -0.1509951), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598772 -0.1598772), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687592 -0.1687592), wk = 0.0030488 k( 62) = ( 0.5000000 0.1776413 -0.1776413), wk = 0.0030488 k( 63) = ( 0.5000000 0.1865234 -0.1865234), wk = 0.0030488 k( 64) = ( 0.5000000 0.1954054 -0.1954054), wk = 0.0030488 k( 65) = ( 0.5000000 0.2042875 -0.2042875), wk = 0.0030488 k( 66) = ( 0.5000000 0.2131696 -0.2131696), wk = 0.0030488 k( 67) = ( 0.5000000 0.2220516 -0.2220516), wk = 0.0030488 k( 68) = ( 0.5000000 0.2309337 -0.2309337), wk = 0.0030488 k( 69) = ( 0.5000000 0.2398158 -0.2398158), wk = 0.0030488 k( 70) = ( 0.5000000 0.2486978 -0.2486978), wk = 0.0030488 k( 71) = ( 0.5000000 0.2575799 -0.2575799), wk = 0.0030488 k( 72) = ( 0.5000000 0.2664620 -0.2664620), wk = 0.0030488 k( 73) = ( 0.5000000 0.2753440 -0.2753440), wk = 0.0030488 k( 74) = ( 0.5000000 0.2842261 -0.2842261), wk = 0.0030488 k( 75) = ( 0.5000000 0.2931082 -0.2931082), wk = 0.0030488 k( 76) = ( 0.5000000 0.3019902 -0.3019902), wk = 0.0030488 k( 77) = ( 0.5000000 0.3108723 -0.3108723), wk = 0.0030488 k( 78) = ( 0.5000000 0.3197543 -0.3197543), wk = 0.0030488 k( 79) = ( 0.5000000 0.3286364 -0.3286364), wk = 0.0030488 k( 80) = ( 0.5000000 0.3375185 -0.3375185), wk = 0.0030488 k( 81) = ( 0.5000000 0.3464005 -0.3464005), wk = 0.0030488 k( 82) = ( 0.5000000 0.3552826 -0.3552826), wk = 0.0030488 k( 83) = ( 0.5000000 0.3641647 -0.3641647), wk = 0.0030488 k( 84) = ( 0.5000000 0.3730467 -0.3730467), wk = 0.0030488 k( 85) = ( 0.5000000 0.3819288 -0.3819288), wk = 0.0030488 k( 86) = ( 0.5000000 0.3908109 -0.3908109), wk = 0.0030488 k( 87) = ( 0.5000000 0.3996929 -0.3996929), wk = 0.0030488 k( 88) = ( 0.5000000 0.4085750 -0.4085750), wk = 0.0030488 k( 89) = ( 0.5000000 0.4174571 -0.4174571), wk = 0.0030488 k( 90) = ( 0.5000000 0.4263391 -0.4263391), wk = 0.0030488 k( 91) = ( 0.5000000 0.4352212 -0.4352212), wk = 0.0030488 k( 92) = ( 0.5000000 0.4441033 -0.4441033), wk = 0.0030488 k( 93) = ( 0.5000000 0.4529853 -0.4529853), wk = 0.0030488 k( 94) = ( 0.5000000 0.4618674 -0.4618674), wk = 0.0030488 k( 95) = ( 0.5000000 0.4707495 -0.4707495), wk = 0.0030488 k( 96) = ( 0.5000000 0.4796315 -0.4796315), wk = 0.0030488 k( 97) = ( 0.5000000 0.4885136 -0.4885136), wk = 0.0030488 k( 98) = ( 0.5000000 0.4973957 -0.4973956), wk = 0.0030488 k( 99) = ( 0.5026044 0.5000000 0.4973957), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558824 0.4558824), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308824 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0030488 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030488 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030488 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030488 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030488 k( 146) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030488 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030488 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030488 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030488 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030488 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030488 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030488 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030488 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030488 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030488 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030488 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030488 k( 158) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030488 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030488 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030488 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030488 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030488 k( 163) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030488 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030488 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030488 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089053 0.0000000 -0.0089053), wk = 0.0030488 k( 172) = ( 0.0178106 0.0000000 -0.0178106), wk = 0.0030488 k( 173) = ( 0.0267159 0.0000000 -0.0267160), wk = 0.0030488 k( 174) = ( 0.0356213 0.0000000 -0.0356213), wk = 0.0030488 k( 175) = ( 0.0445266 0.0000000 -0.0445266), wk = 0.0030488 k( 176) = ( 0.0534319 -0.0000000 -0.0534319), wk = 0.0030488 k( 177) = ( 0.0623372 0.0000000 -0.0623372), wk = 0.0030488 k( 178) = ( 0.0712426 0.0000000 -0.0712426), wk = 0.0030488 k( 179) = ( 0.0801479 0.0000000 -0.0801479), wk = 0.0030488 k( 180) = ( 0.0890532 0.0000000 -0.0890532), wk = 0.0030488 k( 181) = ( 0.0979585 0.0000000 -0.0979585), wk = 0.0030488 k( 182) = ( 0.1068638 -0.0000000 -0.1068638), wk = 0.0030488 k( 183) = ( 0.1157691 0.0000000 -0.1157691), wk = 0.0030488 k( 184) = ( 0.1246745 0.0000000 -0.1246745), wk = 0.0030488 k( 185) = ( 0.1335798 0.0000000 -0.1335798), wk = 0.0030488 k( 186) = ( 0.1424851 0.0000000 -0.1424851), wk = 0.0030488 k( 187) = ( 0.1513904 0.0000000 -0.1513904), wk = 0.0030488 k( 188) = ( 0.1602957 0.0000000 -0.1602957), wk = 0.0030488 k( 189) = ( 0.1692010 0.0000000 -0.1692011), wk = 0.0030488 k( 190) = ( 0.1781064 0.0000000 -0.1781064), wk = 0.0030488 k( 191) = ( 0.1870117 0.0000000 -0.1870117), wk = 0.0030488 k( 192) = ( 0.1959170 0.0000000 -0.1959170), wk = 0.0030488 k( 193) = ( 0.2048223 0.0000000 -0.2048223), wk = 0.0030488 k( 194) = ( 0.2137276 -0.0000000 -0.2137276), wk = 0.0030488 k( 195) = ( 0.2226330 0.0000000 -0.2226330), wk = 0.0030488 k( 196) = ( 0.2315383 0.0000000 -0.2315383), wk = 0.0030488 k( 197) = ( 0.2404436 0.0000000 -0.2404436), wk = 0.0030488 k( 198) = ( 0.2493489 0.0000000 -0.2493489), wk = 0.0030488 k( 199) = ( 0.2582542 0.0000000 -0.2582542), wk = 0.0030488 k( 200) = ( 0.2671596 0.0000000 -0.2671596), wk = 0.0030488 k( 201) = ( 0.2760649 0.0000000 -0.2760649), wk = 0.0030488 k( 202) = ( 0.2849702 0.0000000 -0.2849702), wk = 0.0030488 k( 203) = ( 0.2938755 0.0000000 -0.2938755), wk = 0.0030488 k( 204) = ( 0.3027808 0.0000000 -0.3027808), wk = 0.0030488 k( 205) = ( 0.3116861 0.0000000 -0.3116861), wk = 0.0030488 k( 206) = ( 0.3205915 0.0000000 -0.3205915), wk = 0.0030488 k( 207) = ( 0.3294968 0.0000000 -0.3294968), wk = 0.0030488 k( 208) = ( 0.3384021 0.0000000 -0.3384021), wk = 0.0030488 k( 209) = ( 0.3473074 0.0000000 -0.3473074), wk = 0.0030488 k( 210) = ( 0.3562127 0.0000000 -0.3562127), wk = 0.0030488 k( 211) = ( 0.3651181 0.0000000 -0.3651181), wk = 0.0030488 k( 212) = ( 0.3740234 0.0000000 -0.3740234), wk = 0.0030488 k( 213) = ( 0.3829287 -0.0000000 -0.3829287), wk = 0.0030488 k( 214) = ( 0.3918340 0.0000000 -0.3918340), wk = 0.0030488 k( 215) = ( 0.4007393 0.0000000 -0.4007393), wk = 0.0030488 k( 216) = ( 0.4096446 0.0000000 -0.4096446), wk = 0.0030488 k( 217) = ( 0.4185500 0.0000000 -0.4185500), wk = 0.0030488 k( 218) = ( 0.4274553 -0.0000000 -0.4274553), wk = 0.0030488 k( 219) = ( 0.4363606 0.0000000 -0.4363606), wk = 0.0030488 k( 220) = ( 0.4452659 0.0000000 -0.4452659), wk = 0.0030488 k( 221) = ( 0.4541712 0.0000000 -0.4541712), wk = 0.0030488 k( 222) = ( 0.4630765 0.0000000 -0.4630766), wk = 0.0030488 k( 223) = ( 0.4719819 0.0000000 -0.4719819), wk = 0.0030488 k( 224) = ( 0.4808872 0.0000000 -0.4808872), wk = 0.0030488 k( 225) = ( 0.4897925 0.0000000 -0.4897925), wk = 0.0030488 k( 226) = ( 0.4986978 0.0000000 -0.4986978), wk = 0.0030488 k( 227) = ( 0.5013022 0.4986978 0.0000000), wk = 0.0030488 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 230) = ( 0.5000326 0.5000326 0.0124349), wk = 0.0030488 k( 231) = ( 0.5000651 0.5000651 0.0248698), wk = 0.0030488 k( 232) = ( 0.5000977 0.5000977 0.0373047), wk = 0.0030488 k( 233) = ( 0.5001302 0.5001302 0.0497396), wk = 0.0030488 k( 234) = ( 0.5001628 0.5001628 0.0621745), wk = 0.0030488 k( 235) = ( 0.5001953 0.5001953 0.0746094), wk = 0.0030488 k( 236) = ( 0.5002279 0.5002279 0.0870442), wk = 0.0030488 k( 237) = ( 0.5002604 0.5002604 0.0994791), wk = 0.0030488 k( 238) = ( 0.5002930 0.5002930 0.1119140), wk = 0.0030488 k( 239) = ( 0.5003255 0.5003255 0.1243489), wk = 0.0030488 k( 240) = ( 0.5003581 0.5003581 0.1367838), wk = 0.0030488 k( 241) = ( 0.5003907 0.5003907 0.1492187), wk = 0.0030488 k( 242) = ( 0.5004232 0.5004232 0.1616536), wk = 0.0030488 k( 243) = ( 0.5004558 0.5004558 0.1740885), wk = 0.0030488 k( 244) = ( 0.5004883 0.5004883 0.1865234), wk = 0.0030488 k( 245) = ( 0.5005209 0.5005209 0.1989583), wk = 0.0030488 k( 246) = ( 0.5005534 0.5005534 0.2113932), wk = 0.0030488 k( 247) = ( 0.5005860 0.5005860 0.2238280), wk = 0.0030488 k( 248) = ( 0.5006185 0.5006185 0.2362629), wk = 0.0030488 k( 249) = ( 0.5006511 0.5006511 0.2486978), wk = 0.0030488 k( 250) = ( 0.5006836 0.5006836 0.2611327), wk = 0.0030488 k( 251) = ( 0.5007162 0.5007162 0.2735676), wk = 0.0030488 k( 252) = ( 0.5007487 0.5007487 0.2860025), wk = 0.0030488 k( 253) = ( 0.5007813 0.5007813 0.2984374), wk = 0.0030488 k( 254) = ( 0.5008139 0.5008139 0.3108723), wk = 0.0030488 k( 255) = ( 0.5008464 0.5008464 0.3233072), wk = 0.0030488 k( 256) = ( 0.5008790 0.5008790 0.3357421), wk = 0.0030488 k( 257) = ( 0.5009115 0.5009115 0.3481770), wk = 0.0030488 k( 258) = ( 0.5009441 0.5009441 0.3606118), wk = 0.0030488 k( 259) = ( 0.5009766 0.5009766 0.3730467), wk = 0.0030488 k( 260) = ( 0.5010092 0.5010092 0.3854816), wk = 0.0030488 k( 261) = ( 0.5010417 0.5010417 0.3979165), wk = 0.0030488 k( 262) = ( 0.5010743 0.5010743 0.4103514), wk = 0.0030488 k( 263) = ( 0.5011068 0.5011069 0.4227863), wk = 0.0030488 k( 264) = ( 0.5011394 0.5011394 0.4352212), wk = 0.0030488 k( 265) = ( 0.5011720 0.5011720 0.4476561), wk = 0.0030488 k( 266) = ( 0.5012045 0.5012045 0.4600910), wk = 0.0030488 k( 267) = ( 0.5012371 0.5012371 0.4725259), wk = 0.0030488 k( 268) = ( 0.5012696 0.5012696 0.4849607), wk = 0.0030488 k( 269) = ( 0.5013022 0.5013022 0.4973957), wk = 0.0030488 k( 270) = ( 0.5013022 0.5013022 0.4973957), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 273) = ( 0.5000465 0.0089053 0.0089053), wk = 0.0030488 k( 274) = ( 0.5000930 0.0178106 0.0178106), wk = 0.0030488 k( 275) = ( 0.5001395 0.0267159 0.0267160), wk = 0.0030488 k( 276) = ( 0.5001860 0.0356213 0.0356213), wk = 0.0030488 k( 277) = ( 0.5002325 0.0445266 0.0445266), wk = 0.0030488 k( 278) = ( 0.5002790 0.0534319 0.0534319), wk = 0.0030488 k( 279) = ( 0.5003255 0.0623372 0.0623372), wk = 0.0030488 k( 280) = ( 0.5003720 0.0712426 0.0712426), wk = 0.0030488 k( 281) = ( 0.5004186 0.0801479 0.0801479), wk = 0.0030488 k( 282) = ( 0.5004651 0.0890532 0.0890532), wk = 0.0030488 k( 283) = ( 0.5005116 0.0979585 0.0979585), wk = 0.0030488 k( 284) = ( 0.5005581 0.1068638 0.1068638), wk = 0.0030488 k( 285) = ( 0.5006046 0.1157691 0.1157691), wk = 0.0030488 k( 286) = ( 0.5006511 0.1246745 0.1246745), wk = 0.0030488 k( 287) = ( 0.5006976 0.1335798 0.1335798), wk = 0.0030488 k( 288) = ( 0.5007441 0.1424851 0.1424851), wk = 0.0030488 k( 289) = ( 0.5007906 0.1513904 0.1513904), wk = 0.0030488 k( 290) = ( 0.5008371 0.1602957 0.1602957), wk = 0.0030488 k( 291) = ( 0.5008836 0.1692010 0.1692011), wk = 0.0030488 k( 292) = ( 0.5009301 0.1781064 0.1781064), wk = 0.0030488 k( 293) = ( 0.5009766 0.1870117 0.1870117), wk = 0.0030488 k( 294) = ( 0.5010231 0.1959170 0.1959170), wk = 0.0030488 k( 295) = ( 0.5010697 0.2048223 0.2048223), wk = 0.0030488 k( 296) = ( 0.5011161 0.2137276 0.2137276), wk = 0.0030488 k( 297) = ( 0.5011627 0.2226330 0.2226330), wk = 0.0030488 k( 298) = ( 0.5012092 0.2315383 0.2315383), wk = 0.0030488 k( 299) = ( 0.5012557 0.2404436 0.2404436), wk = 0.0030488 k( 300) = ( 0.5013022 0.2493489 0.2493489), wk = 0.0030488 k( 301) = ( 0.5013487 0.2582542 0.2582542), wk = 0.0030488 k( 302) = ( 0.5013952 0.2671596 0.2671596), wk = 0.0030488 k( 303) = ( 0.5014417 0.2760649 0.2760649), wk = 0.0030488 k( 304) = ( 0.5014882 0.2849702 0.2849702), wk = 0.0030488 k( 305) = ( 0.5015347 0.2938755 0.2938755), wk = 0.0030488 k( 306) = ( 0.5015812 0.3027808 0.3027808), wk = 0.0030488 k( 307) = ( 0.5016277 0.3116861 0.3116861), wk = 0.0030488 k( 308) = ( 0.5016742 0.3205915 0.3205915), wk = 0.0030488 k( 309) = ( 0.5017207 0.3294968 0.3294968), wk = 0.0030488 k( 310) = ( 0.5017672 0.3384021 0.3384021), wk = 0.0030488 k( 311) = ( 0.5018137 0.3473074 0.3473074), wk = 0.0030488 k( 312) = ( 0.5018603 0.3562127 0.3562127), wk = 0.0030488 k( 313) = ( 0.5019068 0.3651181 0.3651181), wk = 0.0030488 k( 314) = ( 0.5019533 0.3740234 0.3740234), wk = 0.0030488 k( 315) = ( 0.5019998 0.3829287 0.3829287), wk = 0.0030488 k( 316) = ( 0.5020463 0.3918340 0.3918340), wk = 0.0030488 k( 317) = ( 0.5020928 0.4007393 0.4007393), wk = 0.0030488 k( 318) = ( 0.5021393 0.4096446 0.4096446), wk = 0.0030488 k( 319) = ( 0.5021858 0.4185500 0.4185500), wk = 0.0030488 k( 320) = ( 0.5022323 0.4274553 0.4274553), wk = 0.0030488 k( 321) = ( 0.5022788 0.4363606 0.4363606), wk = 0.0030488 k( 322) = ( 0.5023253 0.4452659 0.4452659), wk = 0.0030488 k( 323) = ( 0.5023718 0.4541712 0.4541712), wk = 0.0030488 k( 324) = ( 0.5024183 0.4630766 0.4630765), wk = 0.0030488 k( 325) = ( 0.5024648 0.4719819 0.4719819), wk = 0.0030488 k( 326) = ( 0.5025113 0.4808872 0.4808872), wk = 0.0030488 k( 327) = ( 0.5025578 0.4897925 0.4897925), wk = 0.0030488 k( 328) = ( 0.5026044 0.4986978 0.4986978), wk = 0.0030488 Dense grid: 100815 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21951 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 118, 48) NL pseudopotentials 0.10 Mb ( 59, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2100) G-vector shells 0.01 Mb ( 1732) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 118, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.7 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.4 secs Computing kpt #: 6 total cpu time spent up to now is 60.8 secs Computing kpt #: 7 total cpu time spent up to now is 62.2 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 65.2 secs Computing kpt #: 10 total cpu time spent up to now is 67.0 secs Computing kpt #: 11 total cpu time spent up to now is 68.3 secs Computing kpt #: 12 total cpu time spent up to now is 69.7 secs Computing kpt #: 13 total cpu time spent up to now is 71.0 secs Computing kpt #: 14 total cpu time spent up to now is 72.5 secs Computing kpt #: 15 total cpu time spent up to now is 74.1 secs Computing kpt #: 16 total cpu time spent up to now is 75.6 secs Computing kpt #: 17 total cpu time spent up to now is 76.9 secs Computing kpt #: 18 total cpu time spent up to now is 78.1 secs Computing kpt #: 19 total cpu time spent up to now is 79.6 secs Computing kpt #: 20 total cpu time spent up to now is 81.1 secs Computing kpt #: 21 total cpu time spent up to now is 82.6 secs Computing kpt #: 22 total cpu time spent up to now is 83.8 secs Computing kpt #: 23 total cpu time spent up to now is 85.1 secs Computing kpt #: 24 total cpu time spent up to now is 86.3 secs Computing kpt #: 25 total cpu time spent up to now is 87.5 secs Computing kpt #: 26 total cpu time spent up to now is 88.8 secs Computing kpt #: 27 total cpu time spent up to now is 90.1 secs Computing kpt #: 28 total cpu time spent up to now is 91.4 secs Computing kpt #: 29 total cpu time spent up to now is 92.6 secs Computing kpt #: 30 total cpu time spent up to now is 93.8 secs Computing kpt #: 31 total cpu time spent up to now is 95.0 secs Computing kpt #: 32 total cpu time spent up to now is 96.3 secs Computing kpt #: 33 total cpu time spent up to now is 97.5 secs Computing kpt #: 34 total cpu time spent up to now is 98.6 secs Computing kpt #: 35 total cpu time spent up to now is 99.9 secs Computing kpt #: 36 total cpu time spent up to now is 101.1 secs Computing kpt #: 37 total cpu time spent up to now is 102.4 secs Computing kpt #: 38 total cpu time spent up to now is 103.6 secs Computing kpt #: 39 total cpu time spent up to now is 104.8 secs Computing kpt #: 40 total cpu time spent up to now is 106.2 secs Computing kpt #: 41 total cpu time spent up to now is 108.1 secs Computing kpt #: 42 total cpu time spent up to now is 109.9 secs Computing kpt #: 43 total cpu time spent up to now is 111.9 secs Computing kpt #: 44 total cpu time spent up to now is 113.7 secs Computing kpt #: 45 total cpu time spent up to now is 115.1 secs Computing kpt #: 46 total cpu time spent up to now is 116.3 secs Computing kpt #: 47 total cpu time spent up to now is 117.6 secs Computing kpt #: 48 total cpu time spent up to now is 118.8 secs Computing kpt #: 49 total cpu time spent up to now is 120.0 secs Computing kpt #: 50 total cpu time spent up to now is 121.3 secs Computing kpt #: 51 total cpu time spent up to now is 122.4 secs Computing kpt #: 52 total cpu time spent up to now is 123.7 secs Computing kpt #: 53 total cpu time spent up to now is 125.1 secs Computing kpt #: 54 total cpu time spent up to now is 126.3 secs Computing kpt #: 55 total cpu time spent up to now is 127.8 secs Computing kpt #: 56 total cpu time spent up to now is 129.1 secs Computing kpt #: 57 total cpu time spent up to now is 130.3 secs Computing kpt #: 58 total cpu time spent up to now is 131.5 secs Computing kpt #: 59 total cpu time spent up to now is 132.8 secs Computing kpt #: 60 total cpu time spent up to now is 134.0 secs Computing kpt #: 61 total cpu time spent up to now is 135.2 secs Computing kpt #: 62 total cpu time spent up to now is 136.7 secs Computing kpt #: 63 total cpu time spent up to now is 138.0 secs Computing kpt #: 64 total cpu time spent up to now is 139.4 secs Computing kpt #: 65 total cpu time spent up to now is 140.7 secs Computing kpt #: 66 total cpu time spent up to now is 141.9 secs Computing kpt #: 67 total cpu time spent up to now is 143.2 secs Computing kpt #: 68 total cpu time spent up to now is 144.6 secs Computing kpt #: 69 total cpu time spent up to now is 146.0 secs Computing kpt #: 70 total cpu time spent up to now is 147.5 secs Computing kpt #: 71 total cpu time spent up to now is 148.9 secs Computing kpt #: 72 total cpu time spent up to now is 150.4 secs Computing kpt #: 73 total cpu time spent up to now is 152.0 secs Computing kpt #: 74 total cpu time spent up to now is 153.7 secs Computing kpt #: 75 total cpu time spent up to now is 155.4 secs Computing kpt #: 76 total cpu time spent up to now is 157.2 secs Computing kpt #: 77 total cpu time spent up to now is 159.0 secs Computing kpt #: 78 total cpu time spent up to now is 161.0 secs Computing kpt #: 79 total cpu time spent up to now is 163.2 secs Computing kpt #: 80 total cpu time spent up to now is 165.5 secs Computing kpt #: 81 total cpu time spent up to now is 167.6 secs Computing kpt #: 82 total cpu time spent up to now is 170.0 secs Computing kpt #: 83 total cpu time spent up to now is 172.7 secs Computing kpt #: 84 total cpu time spent up to now is 174.7 secs Computing kpt #: 85 total cpu time spent up to now is 177.3 secs Computing kpt #: 86 total cpu time spent up to now is 180.0 secs Computing kpt #: 87 total cpu time spent up to now is 182.5 secs Computing kpt #: 88 total cpu time spent up to now is 184.7 secs Computing kpt #: 89 total cpu time spent up to now is 187.2 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.4 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.6 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.2 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.6 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.7 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.1 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.9 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.3 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 120 total cpu time spent up to now is 284.0 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.6 secs Computing kpt #: 124 total cpu time spent up to now is 295.8 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.1 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.3 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.4 secs Computing kpt #: 129 total cpu time spent up to now is 311.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.3 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.5 secs Computing kpt #: 132 total cpu time spent up to now is 319.8 secs Computing kpt #: 133 total cpu time spent up to now is 322.2 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.4 secs Computing kpt #: 135 total cpu time spent up to now is 326.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.0 secs Computing kpt #: 137 total cpu time spent up to now is 332.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 335.8 secs Computing kpt #: 139 total cpu time spent up to now is 337.6 secs Computing kpt #: 140 total cpu time spent up to now is 339.2 secs Computing kpt #: 141 total cpu time spent up to now is 340.7 secs Computing kpt #: 142 total cpu time spent up to now is 342.3 secs Computing kpt #: 143 total cpu time spent up to now is 343.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.2 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.4 secs Computing kpt #: 146 total cpu time spent up to now is 352.1 secs Computing kpt #: 147 total cpu time spent up to now is 353.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.8 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.3 secs Computing kpt #: 151 total cpu time spent up to now is 364.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.9 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.3 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.8 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.0 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.4 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.7 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.0 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.2 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.4 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.0 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.0 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.0 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.2 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.3 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.4 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.7 secs Computing kpt #: 172 total cpu time spent up to now is 433.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.0 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.3 secs Computing kpt #: 175 total cpu time spent up to now is 442.4 secs Computing kpt #: 176 total cpu time spent up to now is 444.3 secs Computing kpt #: 177 total cpu time spent up to now is 446.5 secs Computing kpt #: 178 total cpu time spent up to now is 448.2 secs Computing kpt #: 179 total cpu time spent up to now is 449.7 secs Computing kpt #: 180 total cpu time spent up to now is 451.5 secs Computing kpt #: 181 total cpu time spent up to now is 453.2 secs Computing kpt #: 182 total cpu time spent up to now is 454.5 secs Computing kpt #: 183 total cpu time spent up to now is 455.9 secs Computing kpt #: 184 total cpu time spent up to now is 457.7 secs Computing kpt #: 185 total cpu time spent up to now is 459.0 secs Computing kpt #: 186 total cpu time spent up to now is 460.5 secs Computing kpt #: 187 total cpu time spent up to now is 461.8 secs Computing kpt #: 188 total cpu time spent up to now is 463.1 secs Computing kpt #: 189 total cpu time spent up to now is 464.5 secs Computing kpt #: 190 total cpu time spent up to now is 465.8 secs Computing kpt #: 191 total cpu time spent up to now is 467.0 secs Computing kpt #: 192 total cpu time spent up to now is 468.4 secs Computing kpt #: 193 total cpu time spent up to now is 469.7 secs Computing kpt #: 194 total cpu time spent up to now is 471.2 secs Computing kpt #: 195 total cpu time spent up to now is 472.4 secs Computing kpt #: 196 total cpu time spent up to now is 473.7 secs Computing kpt #: 197 total cpu time spent up to now is 475.2 secs Computing kpt #: 198 total cpu time spent up to now is 476.4 secs Computing kpt #: 199 total cpu time spent up to now is 477.6 secs Computing kpt #: 200 total cpu time spent up to now is 478.9 secs Computing kpt #: 201 total cpu time spent up to now is 480.1 secs Computing kpt #: 202 total cpu time spent up to now is 481.3 secs Computing kpt #: 203 total cpu time spent up to now is 482.5 secs Computing kpt #: 204 total cpu time spent up to now is 483.7 secs Computing kpt #: 205 total cpu time spent up to now is 484.9 secs Computing kpt #: 206 total cpu time spent up to now is 486.1 secs Computing kpt #: 207 total cpu time spent up to now is 487.3 secs Computing kpt #: 208 total cpu time spent up to now is 488.5 secs Computing kpt #: 209 total cpu time spent up to now is 489.6 secs Computing kpt #: 210 total cpu time spent up to now is 490.8 secs Computing kpt #: 211 total cpu time spent up to now is 492.1 secs Computing kpt #: 212 total cpu time spent up to now is 493.2 secs Computing kpt #: 213 total cpu time spent up to now is 494.4 secs Computing kpt #: 214 total cpu time spent up to now is 495.6 secs Computing kpt #: 215 total cpu time spent up to now is 496.8 secs Computing kpt #: 216 total cpu time spent up to now is 498.0 secs Computing kpt #: 217 total cpu time spent up to now is 499.1 secs Computing kpt #: 218 total cpu time spent up to now is 500.1 secs Computing kpt #: 219 total cpu time spent up to now is 501.2 secs Computing kpt #: 220 total cpu time spent up to now is 502.3 secs Computing kpt #: 221 total cpu time spent up to now is 503.4 secs Computing kpt #: 222 total cpu time spent up to now is 504.6 secs Computing kpt #: 223 total cpu time spent up to now is 505.6 secs Computing kpt #: 224 total cpu time spent up to now is 506.7 secs Computing kpt #: 225 total cpu time spent up to now is 507.7 secs Computing kpt #: 226 total cpu time spent up to now is 508.6 secs Computing kpt #: 227 total cpu time spent up to now is 509.7 secs Computing kpt #: 228 total cpu time spent up to now is 510.9 secs Computing kpt #: 229 total cpu time spent up to now is 511.9 secs Computing kpt #: 230 total cpu time spent up to now is 513.0 secs Computing kpt #: 231 total cpu time spent up to now is 513.9 secs Computing kpt #: 232 total cpu time spent up to now is 515.1 secs Computing kpt #: 233 total cpu time spent up to now is 516.1 secs Computing kpt #: 234 total cpu time spent up to now is 517.4 secs Computing kpt #: 235 total cpu time spent up to now is 518.4 secs Computing kpt #: 236 total cpu time spent up to now is 519.7 secs Computing kpt #: 237 total cpu time spent up to now is 520.8 secs Computing kpt #: 238 total cpu time spent up to now is 522.0 secs Computing kpt #: 239 total cpu time spent up to now is 523.2 secs Computing kpt #: 240 total cpu time spent up to now is 524.3 secs Computing kpt #: 241 total cpu time spent up to now is 525.6 secs Computing kpt #: 242 total cpu time spent up to now is 527.1 secs Computing kpt #: 243 total cpu time spent up to now is 528.4 secs Computing kpt #: 244 total cpu time spent up to now is 529.8 secs Computing kpt #: 245 total cpu time spent up to now is 531.4 secs Computing kpt #: 246 total cpu time spent up to now is 532.9 secs Computing kpt #: 247 total cpu time spent up to now is 534.4 secs Computing kpt #: 248 total cpu time spent up to now is 536.0 secs Computing kpt #: 249 total cpu time spent up to now is 537.5 secs Computing kpt #: 250 total cpu time spent up to now is 539.2 secs Computing kpt #: 251 total cpu time spent up to now is 541.1 secs Computing kpt #: 252 total cpu time spent up to now is 542.8 secs Computing kpt #: 253 total cpu time spent up to now is 544.6 secs Computing kpt #: 254 total cpu time spent up to now is 546.3 secs Computing kpt #: 255 total cpu time spent up to now is 548.2 secs Computing kpt #: 256 total cpu time spent up to now is 550.2 secs Computing kpt #: 257 total cpu time spent up to now is 552.2 secs Computing kpt #: 258 total cpu time spent up to now is 554.2 secs Computing kpt #: 259 total cpu time spent up to now is 556.5 secs Computing kpt #: 260 total cpu time spent up to now is 558.8 secs Computing kpt #: 261 total cpu time spent up to now is 561.5 secs Computing kpt #: 262 total cpu time spent up to now is 564.3 secs Computing kpt #: 263 total cpu time spent up to now is 566.9 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.0 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.2 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.4 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.5 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.8 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.0 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.1 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.1 secs Computing kpt #: 272 total cpu time spent up to now is 593.2 secs Computing kpt #: 273 total cpu time spent up to now is 594.6 secs Computing kpt #: 274 total cpu time spent up to now is 596.0 secs Computing kpt #: 275 total cpu time spent up to now is 597.1 secs Computing kpt #: 276 total cpu time spent up to now is 598.3 secs Computing kpt #: 277 total cpu time spent up to now is 599.5 secs Computing kpt #: 278 total cpu time spent up to now is 600.9 secs Computing kpt #: 279 total cpu time spent up to now is 602.1 secs Computing kpt #: 280 total cpu time spent up to now is 603.2 secs Computing kpt #: 281 total cpu time spent up to now is 604.5 secs Computing kpt #: 282 total cpu time spent up to now is 605.8 secs Computing kpt #: 283 total cpu time spent up to now is 607.0 secs Computing kpt #: 284 total cpu time spent up to now is 608.2 secs Computing kpt #: 285 total cpu time spent up to now is 609.4 secs Computing kpt #: 286 total cpu time spent up to now is 610.6 secs Computing kpt #: 287 total cpu time spent up to now is 611.8 secs Computing kpt #: 288 total cpu time spent up to now is 613.1 secs Computing kpt #: 289 total cpu time spent up to now is 614.3 secs Computing kpt #: 290 total cpu time spent up to now is 615.4 secs Computing kpt #: 291 total cpu time spent up to now is 616.8 secs Computing kpt #: 292 total cpu time spent up to now is 618.0 secs Computing kpt #: 293 total cpu time spent up to now is 619.2 secs Computing kpt #: 294 total cpu time spent up to now is 620.6 secs Computing kpt #: 295 total cpu time spent up to now is 622.0 secs Computing kpt #: 296 total cpu time spent up to now is 623.2 secs Computing kpt #: 297 total cpu time spent up to now is 624.4 secs Computing kpt #: 298 total cpu time spent up to now is 625.7 secs Computing kpt #: 299 total cpu time spent up to now is 626.9 secs Computing kpt #: 300 total cpu time spent up to now is 628.2 secs Computing kpt #: 301 total cpu time spent up to now is 629.4 secs Computing kpt #: 302 total cpu time spent up to now is 631.0 secs Computing kpt #: 303 total cpu time spent up to now is 632.5 secs Computing kpt #: 304 total cpu time spent up to now is 634.0 secs Computing kpt #: 305 total cpu time spent up to now is 635.5 secs Computing kpt #: 306 total cpu time spent up to now is 637.2 secs Computing kpt #: 307 total cpu time spent up to now is 638.8 secs Computing kpt #: 308 total cpu time spent up to now is 640.5 secs Computing kpt #: 309 total cpu time spent up to now is 641.9 secs Computing kpt #: 310 total cpu time spent up to now is 643.9 secs Computing kpt #: 311 total cpu time spent up to now is 645.9 secs Computing kpt #: 312 total cpu time spent up to now is 648.2 secs Computing kpt #: 313 total cpu time spent up to now is 650.6 secs Computing kpt #: 314 total cpu time spent up to now is 653.0 secs Computing kpt #: 315 total cpu time spent up to now is 655.6 secs Computing kpt #: 316 total cpu time spent up to now is 658.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 661.6 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.8 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.0 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.1 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.4 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.6 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.8 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.0 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.1 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 693.2 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.4 secs ethr = 2.50E-11, avg # of iterations = 60.9 total cpu time spent up to now is 696.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6311 -21.9777 -21.9777 -21.9745 -21.9745 -14.3617 -14.3617 -6.4715 -6.4715 -5.8072 -5.8072 -5.8046 -5.8046 -0.9004 -0.9004 1.0122 1.0122 1.0132 1.0132 8.0051 8.0051 8.2217 8.2217 8.2243 8.2243 9.0345 9.0345 9.0440 9.0440 9.2630 9.2630 9.8227 9.8227 9.9715 9.9715 10.0268 10.0268 12.7031 12.7031 12.7153 12.7153 12.8574 12.8574 14.8403 14.8413 k = 0.0125-0.0000-0.0000 ( 2769 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6310 -21.9776 -21.9776 -21.9745 -21.9744 -14.3615 -14.3615 -6.4716 -6.4713 -5.8073 -5.8070 -5.8046 -5.8046 -0.9001 -0.9000 1.0125 1.0126 1.0135 1.0139 8.0023 8.0058 8.2178 8.2211 8.2239 8.2240 9.0325 9.0327 9.0411 9.0430 9.2613 9.2627 9.8075 9.8327 9.9580 9.9816 10.0269 10.0273 12.7040 12.7046 12.7159 12.7179 12.8576 12.8590 14.8410 14.8452 k = 0.0250-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9183 -45.9183 -22.6312 -22.6311 -21.9777 -21.9777 -21.9746 -21.9744 -14.3610 -14.3609 -6.4718 -6.4713 -5.8074 -5.8067 -5.8044 -5.8044 -0.8991 -0.8990 1.0135 1.0136 1.0146 1.0155 7.9973 8.0043 8.2097 8.2162 8.2226 8.2228 9.0267 9.0270 9.0344 9.0382 9.2576 9.2603 9.7882 9.8363 9.9433 9.9866 10.0267 10.0291 12.7053 12.7082 12.7217 12.7240 12.8597 12.8625 14.8407 14.8411 k = 0.0375-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9183 -45.9183 -22.6314 -22.6311 -21.9779 -21.9778 -21.9747 -21.9745 -14.3601 -14.3600 -6.4722 -6.4714 -5.8074 -5.8063 -5.8042 -5.8042 -0.8973 -0.8972 1.0149 1.0151 1.0170 1.0182 7.9899 8.0005 8.1976 8.2075 8.2202 8.2207 9.0171 9.0175 9.0244 9.0297 9.2519 9.2557 9.7653 9.8317 9.9296 9.9863 10.0256 10.0318 12.7061 12.7120 12.7339 12.7353 12.8640 12.8679 14.8405 14.8411 k = 0.0500-0.0001-0.0001 ( 2760 PWs) bands (ev): -45.9183 -45.9183 -22.6315 -22.6312 -21.9781 -21.9780 -21.9749 -21.9746 -14.3588 -14.3588 -6.4726 -6.4715 -5.8072 -5.8059 -5.8038 -5.8038 -0.8949 -0.8947 1.0169 1.0171 1.0204 1.0220 7.9798 7.9940 8.1819 8.1953 8.2170 8.2176 9.0037 9.0042 9.0113 9.0177 9.2442 9.2490 9.7394 9.8180 9.9184 9.9821 10.0230 10.0338 12.7071 12.7157 12.7517 12.7523 12.8706 12.8754 14.8402 14.8411 k = 0.0625-0.0002-0.0002 ( 2758 PWs) bands (ev): -45.9183 -45.9183 -22.6317 -22.6314 -21.9784 -21.9783 -21.9750 -21.9747 -14.3572 -14.3572 -6.4733 -6.4719 -5.8069 -5.8053 -5.8032 -5.8031 -0.8918 -0.8916 1.0194 1.0196 1.0249 1.0267 7.9664 7.9842 8.1635 8.1803 8.2127 8.2135 8.9868 8.9874 8.9955 9.0027 9.2344 9.2399 9.7110 9.7962 9.9093 9.9752 10.0188 10.0334 12.7089 12.7194 12.7744 12.7746 12.8797 12.8851 14.8400 14.8410 k = 0.0750-0.0002-0.0002 ( 2757 PWs) bands (ev): -45.9183 -45.9183 -22.6320 -22.6316 -21.9789 -21.9788 -21.9751 -21.9748 -14.3553 -14.3552 -6.4742 -6.4726 -5.8064 -5.8046 -5.8025 -5.8023 -0.8881 -0.8879 1.0224 1.0226 1.0303 1.0325 7.9491 7.9702 8.1433 8.1632 8.2075 8.2084 8.9667 8.9674 8.9775 8.9848 9.2225 9.2287 9.6804 9.7681 9.9009 9.9662 10.0125 10.0300 12.7117 12.7235 12.8018 12.8018 12.8918 12.8975 14.8397 14.8409 k = 0.0875-0.0002-0.0002 ( 2749 PWs) bands (ev): -45.9182 -45.9182 -22.6323 -22.6318 -21.9794 -21.9792 -21.9752 -21.9749 -14.3530 -14.3529 -6.4755 -6.4736 -5.8056 -5.8038 -5.8016 -5.8010 -0.8837 -0.8835 1.0259 1.0261 1.0367 1.0392 7.9272 7.9510 8.1226 8.1450 8.2012 8.2023 8.9440 8.9446 8.9573 8.9643 9.2085 9.2152 9.6478 9.7354 9.8920 9.9556 10.0040 10.0231 12.7155 12.7281 12.8333 12.8334 12.9071 12.9130 14.8393 14.8408 k = 0.1000-0.0003-0.0003 ( 2747 PWs) bands (ev): -45.9182 -45.9182 -22.6327 -22.6321 -21.9802 -21.9798 -21.9753 -21.9750 -14.3504 -14.3503 -6.4772 -6.4751 -5.8046 -5.8030 -5.8003 -5.7992 -0.8788 -0.8786 1.0299 1.0301 1.0440 1.0469 7.9003 7.9255 8.1026 8.1264 8.1937 8.1950 8.9189 8.9194 8.9353 8.9416 9.1926 9.1995 9.6135 9.6992 9.8819 9.9436 9.9933 10.0128 12.7204 12.7333 12.8686 12.8691 12.9260 12.9320 14.8390 14.8406 k = 0.1125-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9182 -45.9182 -22.6331 -22.6325 -21.9810 -21.9806 -21.9753 -21.9751 -14.3475 -14.3474 -6.4794 -6.4771 -5.8033 -5.8020 -5.7986 -5.7969 -0.8733 -0.8731 1.0344 1.0346 1.0522 1.0554 7.8679 7.8933 8.0841 8.1081 8.1851 8.1865 8.8921 8.8921 8.9117 8.9171 9.1747 9.1817 9.5777 9.6601 9.8704 9.9303 9.9805 9.9993 12.7261 12.7388 12.9069 12.9086 12.9488 12.9553 14.8386 14.8404 k = 0.1250-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9182 -45.9182 -22.6335 -22.6329 -21.9820 -21.9815 -21.9753 -21.9751 -14.3443 -14.3443 -6.4823 -6.4797 -5.8020 -5.8010 -5.7961 -5.7938 -0.8674 -0.8671 1.0393 1.0395 1.0612 1.0647 7.8300 7.8545 8.0674 8.0904 8.1752 8.1768 8.8632 8.8639 8.8868 8.8911 9.1550 9.1620 9.5405 9.6185 9.8574 9.9159 9.9657 9.9827 12.7324 12.7447 12.9470 12.9511 12.9759 12.9841 14.8382 14.8402 k = 0.1375-0.0004-0.0004 ( 2748 PWs) bands (ev): -45.9181 -45.9181 -22.6340 -22.6333 -21.9830 -21.9824 -21.9753 -21.9751 -14.3409 -14.3408 -6.4858 -6.4830 -5.8006 -5.8000 -5.7927 -5.7899 -0.8609 -0.8607 1.0446 1.0448 1.0710 1.0748 7.7868 7.8096 8.0521 8.0734 8.1641 8.1659 8.8330 8.8347 8.8611 8.8640 9.1337 9.1406 9.5020 9.5748 9.8430 9.9004 9.9492 9.9635 12.7392 12.7507 12.9871 12.9949 13.0089 13.0198 14.8378 14.8400 k = 0.1500-0.0004-0.0004 ( 2744 PWs) bands (ev): -45.9181 -45.9181 -22.6345 -22.6337 -21.9841 -21.9834 -21.9753 -21.9751 -14.3372 -14.3371 -6.4900 -6.4871 -5.7993 -5.7989 -5.7884 -5.7851 -0.8540 -0.8538 1.0503 1.0505 1.0815 1.0856 7.7388 7.7597 8.0378 8.0570 8.1516 8.1535 8.8019 8.8048 8.8348 8.8362 9.1110 9.1176 9.4625 9.5292 9.8273 9.8838 9.9312 9.9423 12.7462 12.7569 13.0264 13.0356 13.0516 13.0629 14.8373 14.8397 k = 0.1625-0.0004-0.0004 ( 2746 PWs) bands (ev): -45.9181 -45.9181 -22.6350 -22.6342 -21.9852 -21.9845 -21.9752 -21.9751 -14.3333 -14.3332 -6.4951 -6.4920 -5.7981 -5.7977 -5.7830 -5.7794 -0.8468 -0.8466 1.0564 1.0566 1.0926 1.0970 7.6867 7.7054 8.0239 8.0409 8.1377 8.1398 8.7702 8.7745 8.8080 8.8081 9.0870 9.0934 9.4219 9.4821 9.8105 9.8663 9.9120 9.9194 12.7533 12.7631 13.0665 13.0752 13.1016 13.1116 14.8368 14.8394 k = 0.1750-0.0005-0.0005 ( 2747 PWs) bands (ev): -45.9180 -45.9180 -22.6356 -22.6348 -21.9865 -21.9857 -21.9752 -21.9750 -14.3292 -14.3291 -6.5010 -6.4977 -5.7968 -5.7965 -5.7765 -5.7727 -0.8392 -0.8391 1.0628 1.0630 1.1044 1.1090 7.6310 7.6478 8.0100 8.0249 8.1224 8.1247 8.7381 8.7442 8.7797 8.7815 9.0621 9.0680 9.3806 9.4338 9.7926 9.8478 9.8920 9.8955 12.7603 12.7693 13.1088 13.1173 13.1547 13.1637 14.8362 14.8391 k = 0.1875-0.0005-0.0005 ( 2745 PWs) bands (ev): -45.9180 -45.9180 -22.6361 -22.6353 -21.9878 -21.9870 -21.9751 -21.9750 -14.3250 -14.3248 -6.5077 -6.5044 -5.7955 -5.7953 -5.7690 -5.7649 -0.8313 -0.8313 1.0695 1.0696 1.1166 1.1216 7.5724 7.5873 7.9959 8.0089 8.1056 8.1081 8.7061 8.7140 8.7516 8.7551 9.0364 9.0419 9.3387 9.3846 9.7739 9.8282 9.8711 9.8715 12.7673 12.7756 13.1535 13.1623 13.2097 13.2181 14.8356 14.8387 k = 0.2000-0.0005-0.0005 ( 2740 PWs) bands (ev): -45.9179 -45.9179 -22.6367 -22.6358 -21.9891 -21.9882 -21.9750 -21.9749 -14.3205 -14.3204 -6.5152 -6.5118 -5.7941 -5.7940 -5.7604 -5.7562 -0.8233 -0.8232 1.0764 1.0766 1.1293 1.1345 7.5115 7.5247 7.9814 7.9925 8.0876 8.0902 8.6742 8.6841 8.7239 8.7291 9.0102 9.0152 9.2965 9.3349 9.7545 9.8074 9.8470 9.8507 12.7743 12.7817 13.2008 13.2098 13.2661 13.2743 14.8350 14.8382 k = 0.2125-0.0006-0.0006 ( 2738 PWs) bands (ev): -45.9179 -45.9179 -22.6373 -22.6364 -21.9904 -21.9896 -21.9749 -21.9748 -14.3160 -14.3158 -6.5236 -6.5201 -5.7928 -5.7926 -5.7509 -5.7465 -0.8151 -0.8150 1.0835 1.0837 1.1424 1.1478 7.4488 7.4606 7.9664 7.9758 8.0681 8.0709 8.6428 8.6548 8.6967 8.7036 8.9838 8.9882 9.2542 9.2850 9.7345 9.7853 9.8236 9.8297 12.7811 12.7879 13.2504 13.2596 13.3235 13.3315 14.8343 14.8377 k = 0.2250-0.0006-0.0006 ( 2735 PWs) bands (ev): -45.9179 -45.9179 -22.6379 -22.6370 -21.9918 -21.9909 -21.9748 -21.9747 -14.3113 -14.3112 -6.5326 -6.5292 -5.7914 -5.7913 -5.7403 -5.7359 -0.8068 -0.8066 1.0908 1.0911 1.1558 1.1614 7.3848 7.3953 7.9508 7.9586 8.0475 8.0504 8.6121 8.6262 8.6702 8.6787 8.9574 8.9611 9.2121 9.2355 9.7140 9.7620 9.8013 9.8089 12.7878 12.7940 13.3018 13.3112 13.3816 13.3895 14.8335 14.8371 k = 0.2375-0.0006-0.0006 ( 2741 PWs) bands (ev): -45.9178 -45.9178 -22.6386 -22.6377 -21.9932 -21.9923 -21.9748 -21.9747 -14.3066 -14.3065 -6.5424 -6.5390 -5.7900 -5.7899 -5.7289 -5.7245 -0.7985 -0.7982 1.0983 1.0985 1.1694 1.1752 7.3201 7.3295 7.9345 7.9410 8.0258 8.0287 8.5821 8.5984 8.6444 8.6545 8.9313 8.9341 9.1704 9.1867 9.6934 9.7377 9.7801 9.7884 12.7944 12.8000 13.3546 13.3641 13.4400 13.4478 14.8327 14.8365 k = 0.2500-0.0007-0.0007 ( 2741 PWs) bands (ev): -45.9178 -45.9178 -22.6392 -22.6383 -21.9946 -21.9937 -21.9747 -21.9746 -14.3018 -14.3017 -6.5527 -6.5493 -5.7886 -5.7885 -5.7167 -5.7123 -0.7901 -0.7897 1.1058 1.1060 1.1831 1.1890 7.2552 7.2636 7.9177 7.9229 8.0033 8.0062 8.5532 8.5716 8.6192 8.6308 8.9056 8.9076 9.1296 9.1390 9.6726 9.7129 9.7600 9.7682 12.8008 12.8060 13.4084 13.4180 13.4984 13.5062 14.8318 14.8358 k = 0.2625-0.0007-0.0007 ( 2739 PWs) bands (ev): -45.9177 -45.9177 -22.6398 -22.6389 -21.9960 -21.9950 -21.9746 -21.9746 -14.2971 -14.2969 -6.5634 -6.5601 -5.7872 -5.7871 -5.7038 -5.6994 -0.7818 -0.7813 1.1134 1.1136 1.1969 1.2029 7.1904 7.1979 7.9004 7.9044 7.9800 7.9829 8.5252 8.5457 8.5948 8.6077 8.8805 8.8815 9.0899 9.0930 9.6519 9.6881 9.7408 9.7486 12.8072 12.8119 13.4629 13.4724 13.5564 13.5642 14.8309 14.8350 k = 0.2750-0.0007-0.0007 ( 2741 PWs) bands (ev): -45.9177 -45.9177 -22.6405 -22.6396 -21.9973 -21.9964 -21.9746 -21.9745 -14.2923 -14.2922 -6.5746 -6.5714 -5.7858 -5.7858 -5.6904 -5.6861 -0.7735 -0.7730 1.1209 1.1211 1.2107 1.2168 7.1263 7.1331 7.8827 7.8856 7.9562 7.9590 8.4984 8.5208 8.5710 8.5851 8.8562 8.8563 9.0490 9.0516 9.6314 9.6635 9.7224 9.7296 12.8134 12.8177 13.5174 13.5269 13.6138 13.6215 14.8298 14.8341 k = 0.2875-0.0008-0.0008 ( 2739 PWs) bands (ev): -45.9177 -45.9177 -22.6411 -22.6402 -21.9987 -21.9978 -21.9745 -21.9744 -14.2876 -14.2875 -6.5859 -6.5828 -5.7845 -5.7844 -5.6766 -5.6724 -0.7654 -0.7649 1.1284 1.1286 1.2244 1.2304 7.0632 7.0693 7.8647 7.8667 7.9322 7.9349 8.4728 8.4969 8.5478 8.5627 8.8318 8.8331 9.0074 9.0150 9.6113 9.6396 9.7047 9.7112 12.8194 12.8234 13.5717 13.5811 13.6702 13.6778 14.8287 14.8331 k = 0.3000-0.0008-0.0008 ( 2747 PWs) bands (ev): -45.9176 -45.9176 -22.6417 -22.6409 -22.0000 -21.9991 -21.9744 -21.9744 -14.2830 -14.2829 -6.5974 -6.5945 -5.7832 -5.7831 -5.6626 -5.6585 -0.7575 -0.7569 1.1358 1.1360 1.2378 1.2439 7.0015 7.0070 7.8465 7.8476 7.9081 7.9107 8.4484 8.4741 8.5251 8.5406 8.8083 8.8110 8.9686 8.9804 9.5916 9.6163 9.6877 9.6935 12.8254 12.8290 13.6253 13.6345 13.7253 13.7329 14.8275 14.8320 k = 0.3125-0.0008-0.0008 ( 2751 PWs) bands (ev): -45.9176 -45.9176 -22.6423 -22.6415 -22.0013 -22.0005 -21.9744 -21.9743 -14.2785 -14.2783 -6.6089 -6.6061 -5.7819 -5.7818 -5.6484 -5.6445 -0.7498 -0.7491 1.1431 1.1433 1.2510 1.2570 6.9417 6.9467 7.8283 7.8287 7.8843 7.8867 8.4252 8.4524 8.5030 8.5185 8.7859 8.7900 8.9329 8.9479 9.5725 9.5940 9.6716 9.6767 12.8311 12.8344 13.6779 13.6868 13.7788 13.7864 14.8262 14.8308 k = 0.3250-0.0009-0.0008 ( 2752 PWs) bands (ev): -45.9176 -45.9176 -22.6429 -22.6421 -22.0026 -22.0017 -21.9743 -21.9743 -14.2741 -14.2740 -6.6203 -6.6176 -5.7806 -5.7806 -5.6343 -5.6305 -0.7424 -0.7417 1.1501 1.1503 1.2638 1.2697 6.8839 6.8885 7.8100 7.8102 7.8610 7.8631 8.4033 8.4317 8.4815 8.4966 8.7646 8.7703 8.9005 8.9178 9.5541 9.5727 9.6562 9.6607 12.8366 12.8396 13.7290 13.7377 13.8306 13.8380 14.8248 14.8295 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9175 -45.9175 -22.6435 -22.6427 -22.0037 -22.0029 -21.9742 -21.9742 -14.2699 -14.2697 -6.6315 -6.6289 -5.7794 -5.7793 -5.6204 -5.6168 -0.7353 -0.7345 1.1569 1.1571 1.2761 1.2819 6.8287 6.8328 7.7917 7.7925 7.8383 7.8401 8.3828 8.4120 8.4605 8.4748 8.7445 8.7517 8.8717 8.8902 9.5366 9.5526 9.6417 9.6456 12.8419 12.8447 13.7784 13.7867 13.8802 13.8876 14.8233 14.8280 k = 0.3500-0.0009-0.0009 ( 2752 PWs) bands (ev): -45.9175 -45.9175 -22.6440 -22.6433 -22.0048 -22.0041 -21.9742 -21.9741 -14.2658 -14.2657 -6.6422 -6.6399 -5.7782 -5.7782 -5.6068 -5.6034 -0.7285 -0.7278 1.1634 1.1636 1.2880 1.2935 6.7763 6.7800 7.7741 7.7752 7.8166 7.8181 8.3635 8.3934 8.4404 8.4532 8.7257 8.7343 8.8463 8.8652 9.5200 9.5336 9.6280 9.6315 12.8470 12.8495 13.8256 13.8336 13.9275 13.9347 14.8218 14.8265 k = 0.3625-0.0009-0.0009 ( 2756 PWs) bands (ev): -45.9175 -45.9175 -22.6445 -22.6438 -22.0059 -22.0052 -21.9741 -21.9741 -14.2620 -14.2619 -6.6526 -6.6504 -5.7771 -5.7771 -5.5937 -5.5905 -0.7221 -0.7214 1.1696 1.1698 1.2992 1.3045 6.7270 6.7304 7.7572 7.7585 7.7959 7.7971 8.3455 8.3758 8.4210 8.4321 8.7083 8.7181 8.8242 8.8428 9.5043 9.5159 9.6153 9.6183 12.8517 12.8540 13.8704 13.8779 13.9723 13.9793 14.8202 14.8249 k = 0.3750-0.0010-0.0010 ( 2758 PWs) bands (ev): -45.9174 -45.9174 -22.6450 -22.6443 -22.0069 -22.0062 -21.9740 -21.9740 -14.2584 -14.2583 -6.6623 -6.6603 -5.7761 -5.7761 -5.5812 -5.5783 -0.7162 -0.7155 1.1754 1.1756 1.3097 1.3147 6.6811 6.6841 7.7412 7.7427 7.7764 7.7773 8.3290 8.3593 8.4027 8.4116 8.6923 8.7031 8.8054 8.8229 9.4898 9.4996 9.6036 9.6062 12.8562 12.8582 13.9125 13.9195 14.0142 14.0209 14.8185 14.8231 k = 0.3875-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9174 -45.9174 -22.6454 -22.6448 -22.0078 -22.0072 -21.9740 -21.9739 -14.2551 -14.2550 -6.6715 -6.6696 -5.7752 -5.7752 -5.5694 -5.5668 -0.7107 -0.7100 1.1808 1.1810 1.3196 1.3242 6.6387 6.6414 7.7263 7.7278 7.7584 7.7590 8.3138 8.3437 8.3856 8.3922 8.6780 8.6892 8.7894 8.8055 9.4764 9.4846 9.5929 9.5951 12.8603 12.8622 13.9516 13.9580 14.0530 14.0594 14.8169 14.8213 k = 0.4000-0.0010-0.0010 ( 2755 PWs) bands (ev): -45.9174 -45.9174 -22.6457 -22.6452 -22.0086 -22.0080 -21.9739 -21.9739 -14.2521 -14.2520 -6.6799 -6.6782 -5.7743 -5.7743 -5.5586 -5.5561 -0.7057 -0.7050 1.1857 1.1859 1.3286 1.3328 6.6003 6.6027 7.7125 7.7140 7.7420 7.7422 8.3002 8.3292 8.3698 8.3741 8.6652 8.6765 8.7760 8.7905 9.4643 9.4711 9.5832 9.5851 12.8641 12.8657 13.9873 13.9931 14.0886 14.0946 14.8152 14.8195 k = 0.4125-0.0011-0.0011 ( 2754 PWs) bands (ev): -45.9174 -45.9174 -22.6461 -22.6456 -22.0093 -22.0088 -21.9739 -21.9739 -14.2494 -14.2493 -6.6874 -6.6860 -5.7735 -5.7735 -5.5487 -5.5465 -0.7012 -0.7006 1.1902 1.1903 1.3367 1.3405 6.5658 6.5679 7.7001 7.7015 7.7271 7.7272 8.2882 8.3156 8.3555 8.3577 8.6541 8.6651 8.7650 8.7776 9.4535 9.4591 9.5746 9.5762 12.8675 12.8689 14.0195 14.0247 14.1206 14.1261 14.8137 14.8176 k = 0.4250-0.0011-0.0011 ( 2752 PWs) bands (ev): -45.9173 -45.9173 -22.6464 -22.6460 -22.0099 -22.0095 -21.9738 -21.9738 -14.2470 -14.2469 -6.6941 -6.6929 -5.7729 -5.7729 -5.5399 -5.5380 -0.6973 -0.6967 1.1941 1.1942 1.3439 1.3473 6.5357 6.5375 7.6892 7.6903 7.7139 7.7141 8.2778 8.3029 8.3428 8.3434 8.6447 8.6549 8.7560 8.7668 9.4440 9.4485 9.5671 9.5684 12.8706 12.8717 14.0479 14.0525 14.1490 14.1539 14.8122 14.8157 k = 0.4375-0.0011-0.0011 ( 2754 PWs) bands (ev): -45.9173 -45.9173 -22.6466 -22.6463 -22.0104 -22.0101 -21.9738 -21.9738 -14.2449 -14.2449 -6.6999 -6.6988 -5.7723 -5.7723 -5.5322 -5.5307 -0.6939 -0.6934 1.1975 1.1976 1.3502 1.3530 6.5099 6.5114 7.6797 7.6807 7.7025 7.7029 8.2693 8.2914 8.3313 8.3318 8.6370 8.6460 8.7489 8.7578 9.4360 9.4395 9.5607 9.5618 12.8732 12.8741 14.0724 14.0763 14.1735 14.1778 14.8108 14.8140 k = 0.4500-0.0012-0.0012 ( 2752 PWs) bands (ev): -45.9173 -45.9173 -22.6468 -22.6465 -22.0108 -22.0105 -21.9738 -21.9738 -14.2432 -14.2432 -6.7046 -6.7038 -5.7718 -5.7718 -5.5258 -5.5246 -0.6911 -0.6907 1.2002 1.2003 1.3554 1.3577 6.4886 6.4898 7.6719 7.6726 7.6932 7.6937 8.2626 8.2810 8.3216 8.3226 8.6309 8.6385 8.7435 8.7506 9.4294 9.4321 9.5555 9.5564 12.8753 12.8761 14.0928 14.0959 14.1939 14.1974 14.8097 14.8124 k = 0.4625-0.0012-0.0012 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6469 -22.6467 -22.0111 -22.0109 -21.9737 -21.9737 -14.2419 -14.2419 -6.7083 -6.7077 -5.7714 -5.7714 -5.5208 -5.5198 -0.6889 -0.6886 1.2024 1.2025 1.3595 1.3613 6.4720 6.4729 7.6657 7.6662 7.6860 7.6864 8.2578 8.2721 8.3142 8.3153 8.6265 8.6324 8.7396 8.7449 9.4242 9.4262 9.5515 9.5521 12.8771 12.8776 14.1088 14.1112 14.2100 14.2128 14.8089 14.8109 k = 0.4750-0.0012-0.0012 ( 2750 PWs) bands (ev): -45.9173 -45.9173 -22.6470 -22.6469 -22.0114 -22.0112 -21.9737 -21.9737 -14.2409 -14.2409 -6.7110 -6.7106 -5.7712 -5.7712 -5.5171 -5.5164 -0.6873 -0.6871 1.2040 1.2041 1.3626 1.3638 6.4601 6.4607 7.6612 7.6616 7.6808 7.6811 8.2551 8.2648 8.3090 8.3100 8.6237 8.6277 8.7371 8.7406 9.4207 9.4219 9.5486 9.5490 12.8783 12.8787 14.1205 14.1221 14.2218 14.2237 14.8083 14.8097 k = 0.4875-0.0013-0.0013 ( 2748 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6470 -22.0115 -22.0114 -21.9737 -21.9737 -14.2403 -14.2403 -6.7125 -6.7123 -5.7710 -5.7710 -5.5148 -5.5144 -0.6863 -0.6862 1.2050 1.2050 1.3646 1.3652 6.4530 6.4533 7.6586 7.6588 7.6777 7.6779 8.2545 8.2594 8.3061 8.3066 8.6224 8.6244 8.7360 8.7377 9.4186 9.4192 9.5469 9.5471 12.8791 12.8793 14.1277 14.1285 14.2292 14.2301 14.8081 14.8089 k = 0.5000-0.0013-0.0013 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6471 -22.0115 -22.0115 -21.9737 -21.9737 -14.2401 -14.2401 -6.7130 -6.7130 -5.7709 -5.7709 -5.5139 -5.5139 -0.6859 -0.6859 1.2053 1.2053 1.3655 1.3655 6.4507 6.4507 7.6578 7.6578 7.6768 7.6768 8.2559 8.2559 8.3053 8.3053 8.6227 8.6227 8.7362 8.7362 9.4181 9.4181 9.5464 9.5464 12.8795 12.8795 14.1304 14.1304 14.2319 14.2319 14.8083 14.8083 k = 0.5000-0.0013-0.0013 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6471 -22.0115 -22.0115 -21.9737 -21.9737 -14.2401 -14.2401 -6.7130 -6.7130 -5.7709 -5.7709 -5.5139 -5.5139 -0.6859 -0.6859 1.2053 1.2053 1.3655 1.3655 6.4507 6.4507 7.6578 7.6578 7.6768 7.6768 8.2559 8.2559 8.3053 8.3053 8.6227 8.6227 8.7362 8.7362 9.4181 9.4181 9.5464 9.5464 12.8795 12.8795 14.1304 14.1304 14.2319 14.2319 14.8083 14.8083 k = 0.5000 0.0076-0.0102 ( 2748 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6470 -22.0116 -22.0115 -21.9738 -21.9737 -14.2400 -14.2400 -6.7123 -6.7121 -5.7710 -5.7706 -5.5144 -5.5141 -0.6876 -0.6846 1.2026 1.2079 1.3640 1.3656 6.4502 6.4508 7.6534 7.6591 7.6751 7.6803 8.2364 8.2614 8.2839 8.3120 8.6156 8.6470 8.7255 8.7591 9.4021 9.4171 9.5436 9.5595 12.8793 12.8816 14.1295 14.1308 14.2314 14.2325 14.8116 14.8127 k = 0.5000 0.0165-0.0191 ( 2748 PWs) bands (ev): -45.9173 -45.9173 -22.6472 -22.6471 -22.0116 -22.0115 -21.9740 -21.9737 -14.2397 -14.2397 -6.7102 -6.7097 -5.7708 -5.7700 -5.5156 -5.5151 -0.6896 -0.6835 1.1998 1.2102 1.3613 1.3644 6.4490 6.4502 7.6475 7.6561 7.6766 7.6843 8.2036 8.2470 8.2559 8.3071 8.6263 8.6817 8.7298 8.7913 9.3750 9.3987 9.5515 9.5770 12.8812 12.8858 14.1283 14.1307 14.2311 14.2332 14.8223 14.8245 k = 0.5000 0.0253-0.0280 ( 2748 PWs) bands (ev): -45.9173 -45.9173 -22.6474 -22.6471 -22.0117 -22.0115 -21.9743 -21.9739 -14.2391 -14.2391 -6.7064 -6.7058 -5.7703 -5.7692 -5.5176 -5.5168 -0.6920 -0.6829 1.1967 1.2124 1.3573 1.3619 6.4474 6.4491 7.6403 7.6503 7.6798 7.6883 8.1603 8.1987 8.2425 8.2943 8.6505 8.7150 8.7547 8.8301 9.3414 9.3690 9.5642 9.5942 12.8852 12.8920 14.1268 14.1302 14.2309 14.2339 14.8404 14.8436 k = 0.5000 0.0342-0.0369 ( 2748 PWs) bands (ev): -45.9172 -45.9172 -22.6476 -22.6472 -22.0119 -22.0115 -21.9746 -21.9741 -14.2383 -14.2383 -6.7012 -6.7003 -5.7695 -5.7680 -5.5203 -5.5192 -0.6947 -0.6827 1.1934 1.2142 1.3521 1.3582 6.4452 6.4475 7.6317 7.6427 7.6834 7.6919 8.1097 8.1429 8.2248 8.2765 8.6833 8.7431 8.7979 8.8731 9.3036 9.3328 9.5769 9.6092 12.8917 12.9005 14.1252 14.1295 14.2309 14.2347 14.8656 14.8697 k = 0.5000 0.0431-0.0458 ( 2740 PWs) bands (ev): -45.9172 -45.9172 -22.6478 -22.6473 -22.0120 -22.0116 -21.9750 -21.9743 -14.2372 -14.2372 -6.6945 -6.6933 -5.7685 -5.7666 -5.5237 -5.5223 -0.6979 -0.6828 1.1896 1.2155 1.3459 1.3535 6.4426 6.4454 7.6217 7.6336 7.6870 7.6952 8.0543 8.0831 8.2049 8.2557 8.7215 8.7735 8.8477 8.9185 9.2629 9.2928 9.5875 9.6209 12.9006 12.9115 14.1237 14.1286 14.2311 14.2355 14.8974 14.9025 k = 0.5000 0.0520-0.0547 ( 2744 PWs) bands (ev): -45.9172 -45.9172 -22.6481 -22.6475 -22.0122 -22.0117 -21.9755 -21.9747 -14.2360 -14.2360 -6.6862 -6.6849 -5.7671 -5.7650 -5.5277 -5.5261 -0.7015 -0.6835 1.1853 1.2161 1.3389 1.3478 6.4395 6.4429 7.6096 7.6229 7.6901 7.6980 7.9960 8.0216 8.1841 8.2336 8.7631 8.8080 8.8987 8.9645 9.2203 9.2506 9.5949 9.6289 12.9124 12.9251 14.1224 14.1278 14.2316 14.2363 14.9356 14.9415 k = 0.5000 0.0609-0.0636 ( 2744 PWs) bands (ev): -45.9172 -45.9172 -22.6484 -22.6477 -22.0123 -22.0118 -21.9761 -21.9752 -14.2345 -14.2345 -6.6765 -6.6750 -5.7656 -5.7631 -5.5323 -5.5304 -0.7056 -0.6848 1.1801 1.2156 1.3313 1.3412 6.4360 6.4399 7.5951 7.6100 7.6928 7.7002 7.9367 7.9604 8.1632 8.2113 8.8068 8.8458 8.9489 9.0097 9.1769 9.2078 9.5987 9.6328 12.9273 12.9415 14.1215 14.1272 14.2323 14.2373 14.9795 14.9862 k = 0.5000 0.0697-0.0725 ( 2746 PWs) bands (ev): -45.9172 -45.9172 -22.6487 -22.6480 -22.0126 -22.0119 -21.9768 -21.9757 -14.2328 -14.2328 -6.6654 -6.6636 -5.7637 -5.7609 -5.5375 -5.5353 -0.7103 -0.6866 1.1740 1.2135 1.3236 1.3340 6.4322 6.4365 7.5774 7.5941 7.6947 7.7016 7.8780 7.9012 8.1429 8.1895 8.8518 8.8861 8.9958 9.0502 9.1351 9.1683 9.5988 9.6327 12.9453 12.9610 14.1212 14.1270 14.2333 14.2386 15.0289 15.0362 k = 0.5000 0.0786-0.0815 ( 2748 PWs) bands (ev): -45.9171 -45.9171 -22.6491 -22.6483 -22.0128 -22.0121 -21.9775 -21.9763 -14.2309 -14.2308 -6.6528 -6.6508 -5.7617 -5.7585 -5.5431 -5.5407 -0.7156 -0.6892 1.1667 1.2094 1.3162 1.3263 6.4281 6.4329 7.5555 7.5741 7.6958 7.7021 7.8222 7.8456 8.1235 8.1688 8.8967 8.9269 9.0303 9.0691 9.1066 9.1489 9.5953 9.6287 12.9668 12.9838 14.1214 14.1273 14.2348 14.2402 15.0831 15.0910 k = 0.5000 0.0875-0.0904 ( 2736 PWs) bands (ev): -45.9171 -45.9171 -22.6495 -22.6486 -22.0130 -22.0122 -21.9783 -21.9770 -14.2287 -14.2287 -6.6388 -6.6366 -5.7593 -5.7558 -5.5492 -5.5466 -0.7216 -0.6925 1.1580 1.2028 1.3094 1.3183 6.4237 6.4289 7.5284 7.5484 7.6957 7.7012 7.7717 7.7952 8.1054 8.1493 8.9374 8.9608 9.0287 9.0489 9.1211 9.1718 9.5883 9.6210 12.9918 13.0098 14.1223 14.1281 14.2369 14.2422 15.1417 15.1501 k = 0.5000 0.0964-0.0993 ( 2740 PWs) bands (ev): -45.9171 -45.9171 -22.6499 -22.6490 -22.0133 -22.0124 -21.9791 -21.9777 -14.2264 -14.2264 -6.6234 -6.6210 -5.7568 -5.7529 -5.5556 -5.5528 -0.7284 -0.6966 1.1476 1.1933 1.3036 1.3102 6.4193 6.4248 7.4954 7.5155 7.6940 7.6980 7.7293 7.7511 8.0886 8.1312 8.9511 8.9571 9.0374 9.0415 9.1601 9.2103 9.5782 9.6100 13.0203 13.0392 14.1240 14.1296 14.2395 14.2448 15.2043 15.2132 k = 0.5000 0.1053-0.1082 ( 2740 PWs) bands (ev): -45.9170 -45.9170 -22.6504 -22.6494 -22.0136 -22.0126 -21.9801 -21.9786 -14.2239 -14.2239 -6.6067 -6.6041 -5.7539 -5.7498 -5.5623 -5.5592 -0.7360 -0.7016 1.1353 1.1809 1.2986 1.3020 6.4147 6.4205 7.4566 7.4752 7.6852 7.6909 7.7025 7.7141 8.0732 8.1147 8.9137 8.9275 9.0675 9.0825 9.2027 9.2512 9.5655 9.5962 13.0523 13.0719 14.1265 14.1319 14.2428 14.2480 15.2705 15.2797 k = 0.5000 0.1142-0.1171 ( 2738 PWs) bands (ev): -45.9170 -45.9170 -22.6509 -22.6498 -22.0138 -22.0129 -21.9811 -21.9794 -14.2212 -14.2212 -6.5886 -6.5859 -5.7509 -5.7465 -5.5692 -5.5660 -0.7444 -0.7076 1.1212 1.1657 1.2927 1.2951 6.4101 6.4161 7.4132 7.4291 7.6606 7.6785 7.6894 7.6939 8.0592 8.0997 8.8686 8.8838 9.1125 9.1292 9.2452 9.2917 9.5509 9.5802 13.0878 13.1079 14.1298 14.1351 14.2469 14.2520 15.3398 15.3493 k = 0.5000 0.1230-0.1260 ( 2738 PWs) bands (ev): -45.9170 -45.9170 -22.6515 -22.6503 -22.0141 -22.0131 -21.9821 -21.9804 -14.2184 -14.2184 -6.5693 -6.5664 -5.7476 -5.7430 -5.5763 -5.5728 -0.7537 -0.7146 1.1052 1.1481 1.2843 1.2907 6.4056 6.4117 7.3668 7.3797 7.6377 7.6533 7.6810 7.6859 8.0464 8.0861 8.8222 8.8369 9.1610 9.1777 9.2865 9.3311 9.5351 9.5626 13.1265 13.1470 14.1341 14.1391 14.2518 14.2568 15.4120 15.4217 k = 0.5000 0.1319-0.1349 ( 2742 PWs) bands (ev): -45.9169 -45.9169 -22.6521 -22.6508 -22.0145 -22.0134 -21.9832 -21.9814 -14.2154 -14.2154 -6.5488 -6.5457 -5.7442 -5.7392 -5.5834 -5.5798 -0.7640 -0.7226 1.0872 1.1283 1.2753 1.2864 6.4011 6.4072 7.3193 7.3291 7.6175 7.6298 7.6718 7.6764 8.0348 8.0738 8.7758 8.7894 9.2104 9.2269 9.3265 9.3689 9.5189 9.5442 13.1682 13.1890 14.1393 14.1441 14.2576 14.2624 15.4865 15.4964 k = 0.5000 0.1408-0.1438 ( 2740 PWs) bands (ev): -45.9169 -45.9169 -22.6527 -22.6514 -22.0148 -22.0137 -21.9844 -21.9825 -14.2122 -14.2122 -6.5271 -6.5238 -5.7405 -5.7353 -5.5905 -5.5867 -0.7753 -0.7317 1.0675 1.1066 1.2656 1.2815 6.3968 6.4028 7.2722 7.2793 7.5989 7.6081 7.6605 7.6648 8.0242 8.0627 8.7299 8.7420 9.2601 9.2764 9.3650 9.4044 9.5040 9.5262 13.2128 13.2338 14.1456 14.1501 14.2643 14.2691 15.5632 15.5732 k = 0.5000 0.1497-0.1527 ( 2740 PWs) bands (ev): -45.9168 -45.9168 -22.6533 -22.6519 -22.0152 -22.0140 -21.9856 -21.9836 -14.2089 -14.2089 -6.5042 -6.5008 -5.7367 -5.7312 -5.5976 -5.5936 -0.7875 -0.7419 1.0462 1.0833 1.2550 1.2756 6.3926 6.3984 7.2269 7.2314 7.5807 7.5875 7.6469 7.6512 8.0143 8.0525 8.6849 8.6952 9.3096 9.3257 9.4014 9.4346 9.4935 9.5101 13.2600 13.2809 14.1528 14.1571 14.2720 14.2767 15.6417 15.6517 k = 0.5000 0.1586-0.1616 ( 2742 PWs) bands (ev): -45.9168 -45.9168 -22.6540 -22.6526 -22.0155 -22.0143 -21.9868 -21.9847 -14.2055 -14.2055 -6.4803 -6.4767 -5.7326 -5.7270 -5.6045 -5.6003 -0.8008 -0.7532 1.0233 1.0587 1.2433 1.2684 6.3885 6.3941 7.1841 7.1865 7.5621 7.5678 7.6310 7.6354 8.0050 8.0432 8.6407 8.6492 9.3584 9.3747 9.4331 9.4510 9.4903 9.5065 13.3094 13.3303 14.1612 14.1652 14.2808 14.2853 15.7216 15.7317 k = 0.5000 0.1675-0.1705 ( 2746 PWs) bands (ev): -45.9167 -45.9167 -22.6547 -22.6532 -22.0159 -22.0146 -21.9882 -21.9860 -14.2020 -14.2019 -6.4554 -6.4516 -5.7284 -5.7226 -5.6111 -5.6069 -0.8150 -0.7656 0.9991 1.0329 1.2303 1.2595 6.3847 6.3898 7.1441 7.1457 7.5422 7.5485 7.6129 7.6178 7.9961 8.0345 8.5976 8.6041 9.4060 9.4225 9.4422 9.4609 9.4928 9.5297 13.3607 13.3815 14.1707 14.1744 14.2905 14.2949 15.8027 15.8128 k = 0.5000 0.1763-0.1794 ( 2742 PWs) bands (ev): -45.9167 -45.9167 -22.6553 -22.6538 -22.0163 -22.0149 -21.9894 -21.9872 -14.1983 -14.1983 -6.4295 -6.4256 -5.7241 -5.7181 -5.6175 -5.6132 -0.8303 -0.7792 0.9737 1.0060 1.2157 1.2487 6.3809 6.3856 7.1069 7.1102 7.5209 7.5289 7.5929 7.5984 7.9876 8.0263 8.5553 8.5600 9.4342 9.4492 9.4623 9.4715 9.5190 9.5605 13.4137 13.4342 14.1813 14.1848 14.3012 14.3055 15.8848 15.8948 k = 0.5000 0.1852-0.1883 ( 2744 PWs) bands (ev): -45.9166 -45.9166 -22.6560 -22.6545 -22.0167 -22.0153 -21.9908 -21.9885 -14.1946 -14.1945 -6.4027 -6.3987 -5.7196 -5.7134 -5.6235 -5.6191 -0.8466 -0.7939 0.9473 0.9783 1.1994 1.2359 6.3773 6.3814 7.0739 7.0794 7.4979 7.5082 7.5712 7.5776 7.9794 8.0187 8.5141 8.5169 9.4306 9.4491 9.5018 9.5160 9.5524 9.5929 13.4681 13.4882 14.1930 14.1963 14.3129 14.3171 15.9674 15.9773 k = 0.5000 0.1941-0.1972 ( 2746 PWs) bands (ev): -45.9166 -45.9166 -22.6568 -22.6552 -22.0170 -22.0156 -21.9922 -21.9898 -14.1907 -14.1907 -6.3750 -6.3709 -5.7150 -5.7087 -5.6291 -5.6246 -0.8638 -0.8096 0.9199 0.9497 1.1810 1.2208 6.3736 6.3771 7.0454 7.0534 7.4731 7.4857 7.5483 7.5559 7.9715 8.0115 8.4736 8.4752 9.4291 9.4461 9.5453 9.5577 9.5886 9.6260 13.5234 13.5432 14.2059 14.2090 14.3255 14.3297 16.0504 16.0602 k = 0.5000 0.2030-0.2061 ( 2746 PWs) bands (ev): -45.9165 -45.9165 -22.6575 -22.6559 -22.0174 -22.0160 -21.9936 -21.9912 -14.1869 -14.1868 -6.3466 -6.3424 -5.7103 -5.7038 -5.6343 -5.6297 -0.8819 -0.8264 0.8918 0.9206 1.1607 1.2034 6.3699 6.3727 7.0219 7.0324 7.4462 7.4610 7.5245 7.5336 7.9638 8.0047 8.4335 8.4353 9.4314 9.4467 9.5869 9.5949 9.6279 9.6597 13.5794 13.5989 14.2200 14.2228 14.3391 14.3432 16.1334 16.1431 k = 0.5000 0.2119-0.2150 ( 2736 PWs) bands (ev): -45.9165 -45.9165 -22.6582 -22.6566 -22.0178 -22.0163 -21.9950 -21.9925 -14.1829 -14.1829 -6.3175 -6.3132 -5.7055 -5.6989 -5.6389 -5.6343 -0.9009 -0.8442 0.8631 0.8909 1.1381 1.1835 6.3660 6.3682 7.0032 7.0165 7.4172 7.4341 7.5000 7.5110 7.9564 7.9984 8.3942 8.3973 9.4378 9.4514 9.6253 9.6290 9.6694 9.6942 13.6359 13.6549 14.2352 14.2378 14.3536 14.3577 16.2162 16.2257 k = 0.5000 0.2207-0.2239 ( 2740 PWs) bands (ev): -45.9164 -45.9164 -22.6590 -22.6573 -22.0182 -22.0167 -21.9964 -21.9939 -14.1789 -14.1789 -6.2878 -6.2834 -5.7007 -5.6940 -5.6429 -5.6384 -0.9207 -0.8630 0.8339 0.8608 1.1134 1.1612 6.3617 6.3635 6.9894 7.0057 7.3863 7.4050 7.4749 7.4884 7.9492 7.9923 8.3564 8.3609 9.4484 9.4604 9.6581 9.6635 9.7113 9.7296 13.6925 13.7110 14.2515 14.2539 14.3689 14.3729 16.2983 16.3078 k = 0.5000 0.2296-0.2328 ( 2738 PWs) bands (ev): -45.9164 -45.9164 -22.6597 -22.6581 -22.0186 -22.0171 -21.9978 -21.9953 -14.1749 -14.1749 -6.2575 -6.2531 -5.6958 -5.6891 -5.6463 -5.6419 -0.9413 -0.8826 0.8043 0.8304 1.0865 1.1364 6.3569 6.3587 6.9801 6.9997 7.3541 7.3743 7.4492 7.4654 7.9421 7.9866 8.3205 8.3263 9.4631 9.4737 9.6879 9.6969 9.7528 9.7659 13.7490 13.7670 14.2689 14.2711 14.3850 14.3890 16.3796 16.3889 k = 0.5000 0.2385-0.2417 ( 2732 PWs) bands (ev): -45.9163 -45.9163 -22.6605 -22.6588 -22.0190 -22.0175 -21.9993 -21.9967 -14.1709 -14.1708 -6.2268 -6.2223 -5.6910 -5.6842 -5.6489 -5.6447 -0.9626 -0.9031 0.7745 0.7998 1.0574 1.1092 6.3515 6.3535 6.9750 6.9979 7.3211 7.3430 7.4227 7.4420 7.9353 7.9811 8.2869 8.2939 9.4818 9.4911 9.7166 9.7283 9.7932 9.8024 13.8052 13.8226 14.2873 14.2893 14.4018 14.4058 16.4595 16.4687 k = 0.5000 0.2474-0.2507 ( 2732 PWs) bands (ev): -45.9163 -45.9163 -22.6613 -22.6595 -22.0194 -22.0179 -22.0007 -21.9981 -14.1668 -14.1668 -6.1957 -6.1912 -5.6863 -5.6795 -5.6508 -5.6468 -0.9846 -0.9244 0.7445 0.7691 1.0263 1.0796 6.3456 6.3479 6.9732 6.9997 7.2886 7.3121 7.3951 7.4181 7.9285 7.9756 8.2560 8.2641 9.5042 9.5123 9.7445 9.7580 9.8323 9.8388 13.8608 13.8776 14.3067 14.3085 14.4193 14.4232 16.5377 16.5469 k = 0.5000 0.2563-0.2596 ( 2734 PWs) bands (ev): -45.9162 -45.9162 -22.6620 -22.6603 -22.0198 -22.0183 -22.0021 -21.9995 -14.1628 -14.1628 -6.1643 -6.1598 -5.6817 -5.6749 -5.6519 -5.6482 -1.0071 -0.9464 0.7145 0.7384 0.9932 1.0479 6.3390 6.3417 6.9736 7.0035 7.2576 7.2830 7.3663 7.3938 7.9218 7.9702 8.2282 8.2373 9.5300 9.5370 9.7718 9.7864 9.8701 9.8745 13.9155 13.9318 14.3270 14.3287 14.4374 14.4413 16.6137 16.6229 k = 0.5000 0.2652-0.2685 ( 2736 PWs) bands (ev): -45.9161 -45.9161 -22.6628 -22.6611 -22.0202 -22.0187 -22.0036 -22.0010 -14.1588 -14.1588 -6.1327 -6.1283 -5.6774 -5.6705 -5.6520 -5.6487 -1.0301 -0.9690 0.6845 0.7078 0.9583 1.0141 6.3319 6.3348 6.9745 7.0072 7.2301 7.2578 7.3362 7.3694 7.9152 7.9647 8.2038 8.2136 9.5588 9.5649 9.7986 9.8137 9.9064 9.9093 13.9693 13.9849 14.3482 14.3497 14.4560 14.4598 16.6870 16.6963 k = 0.5000 0.2740-0.2774 ( 2734 PWs) bands (ev): -45.9161 -45.9161 -22.6635 -22.6618 -22.0205 -22.0191 -22.0049 -22.0024 -14.1548 -14.1548 -6.1011 -6.0966 -5.6734 -5.6665 -5.6512 -5.6481 -1.0534 -0.9922 0.6548 0.6774 0.9219 0.9784 6.3240 6.3272 6.9738 7.0076 7.2076 7.2390 7.3048 7.3458 7.9088 7.9593 8.1830 8.1932 9.5904 9.5956 9.8251 9.8404 9.9411 9.9429 14.0218 14.0368 14.3702 14.3715 14.4751 14.4788 16.7569 16.7665 k = 0.5000 0.2829-0.2863 ( 2734 PWs) bands (ev): -45.9160 -45.9160 -22.6643 -22.6626 -22.0209 -22.0195 -22.0063 -22.0038 -14.1509 -14.1509 -6.0694 -6.0650 -5.6699 -5.6629 -5.6496 -5.6464 -1.0771 -1.0158 0.6254 0.6473 0.8841 0.9412 6.3154 6.3187 6.9692 7.0015 7.1908 7.2301 7.2722 7.3249 7.9026 7.9539 8.1658 8.1763 9.6243 9.6287 9.8513 9.8665 9.9741 9.9753 14.0730 14.0873 14.3929 14.3940 14.4944 14.4981 16.8227 16.8329 k = 0.5000 0.2918-0.2952 ( 2730 PWs) bands (ev): -45.9160 -45.9160 -22.6650 -22.6633 -22.0213 -22.0199 -22.0077 -22.0051 -14.1470 -14.1470 -6.0378 -6.0335 -5.6668 -5.6597 -5.6471 -5.6436 -1.1010 -1.0399 0.5963 0.6177 0.8451 0.9026 6.3060 6.3093 6.9590 6.9873 7.1768 7.2322 7.2396 7.3100 7.8969 7.9488 8.1521 8.1626 9.6601 9.6639 9.8773 9.8922 10.0053 10.0065 14.1227 14.1363 14.4162 14.4172 14.5141 14.5176 16.8837 16.8946 k = 0.5000 0.3007-0.3041 ( 2730 PWs) bands (ev): -45.9159 -45.9159 -22.6657 -22.6641 -22.0216 -22.0203 -22.0090 -22.0065 -14.1432 -14.1432 -6.0065 -6.0022 -5.6638 -5.6567 -5.6439 -5.6400 -1.1250 -1.0642 0.5678 0.5885 0.8053 0.8628 6.2957 6.2989 6.9432 6.9666 7.1608 7.2030 7.2484 7.3054 7.8920 7.9444 8.1417 8.1520 9.6976 9.7007 9.9030 9.9176 10.0349 10.0362 14.1707 14.1835 14.4400 14.4408 14.5339 14.5374 16.9388 16.9508 k = 0.5000 0.3096-0.3130 ( 2734 PWs) bands (ev): -45.9159 -45.9159 -22.6665 -22.6648 -22.0220 -22.0207 -22.0103 -22.0078 -14.1395 -14.1395 -5.9754 -5.9713 -5.6609 -5.6539 -5.6402 -5.6360 -1.1490 -1.0888 0.5398 0.5598 0.7650 0.8223 6.2843 6.2874 6.9231 6.9419 7.1396 7.1675 7.2709 7.3133 7.8880 7.9408 8.1342 8.1441 9.7363 9.7389 9.9287 9.9428 10.0627 10.0645 14.2169 14.2290 14.4643 14.4649 14.5538 14.5572 16.9872 17.0007 k = 0.5000 0.3184-0.3219 ( 2736 PWs) bands (ev): -45.9158 -45.9158 -22.6672 -22.6656 -22.0224 -22.0211 -22.0116 -22.0092 -14.1359 -14.1359 -5.9447 -5.9408 -5.6578 -5.6509 -5.6360 -5.6317 -1.1730 -1.1135 0.5125 0.5318 0.7243 0.7812 6.2719 6.2749 6.9005 6.9155 7.1131 7.1315 7.2985 7.3325 7.8853 7.9386 8.1291 8.1386 9.7760 9.7780 9.9542 9.9678 10.0891 10.0912 14.2611 14.2725 14.4888 14.4893 14.5737 14.5769 17.0279 17.0434 k = 0.5000 0.3273-0.3308 ( 2736 PWs) bands (ev): -45.9158 -45.9158 -22.6678 -22.6663 -22.0227 -22.0215 -22.0128 -22.0104 -14.1324 -14.1323 -5.9146 -5.9108 -5.6544 -5.6477 -5.6316 -5.6273 -1.1968 -1.1381 0.4860 0.5046 0.6836 0.7398 6.2585 6.2612 6.8769 6.8889 7.0831 7.0953 7.3288 7.3598 7.8841 7.9380 8.1260 8.1352 9.8162 9.8177 9.9797 9.9926 10.1138 10.1163 14.3034 14.3139 14.5136 14.5139 14.5935 14.5966 17.0602 17.0779 k = 0.5000 0.3362-0.3397 ( 2732 PWs) bands (ev): -45.9157 -45.9157 -22.6685 -22.6670 -22.0230 -22.0218 -22.0140 -22.0116 -14.1289 -14.1289 -5.8851 -5.8816 -5.6508 -5.6443 -5.6271 -5.6229 -1.2202 -1.1627 0.4603 0.4782 0.6432 0.6984 6.2440 6.2465 6.8533 6.8632 7.0510 7.0592 7.3607 7.3923 7.8847 7.9393 8.1246 8.1336 9.8568 9.8578 10.0050 10.0173 10.1371 10.1399 14.3434 14.3531 14.5384 14.5387 14.6130 14.6160 17.0834 17.1039 k = 0.5000 0.3451-0.3486 ( 2734 PWs) bands (ev): -45.9157 -45.9157 -22.6691 -22.6676 -22.0234 -22.0222 -22.0151 -22.0128 -14.1257 -14.1257 -5.8563 -5.8531 -5.6469 -5.6406 -5.6226 -5.6185 -1.2433 -1.1871 0.4356 0.4527 0.6033 0.6574 6.2284 6.2307 6.8307 6.8388 7.0181 7.0235 7.3934 7.4273 7.8874 7.9426 8.1245 8.1333 9.8973 9.8979 10.0302 10.0419 10.1588 10.1619 14.3813 14.3901 14.5631 14.5635 14.6323 14.6352 17.0978 17.1212 k = 0.5000 0.3540-0.3575 ( 2730 PWs) bands (ev): -45.9156 -45.9156 -22.6697 -22.6683 -22.0237 -22.0226 -22.0161 -22.0140 -14.1225 -14.1225 -5.8284 -5.8255 -5.6427 -5.6366 -5.6181 -5.6142 -1.2658 -1.2112 0.4118 0.4282 0.5643 0.6169 6.2119 6.2139 6.8094 6.8161 6.9849 6.9886 7.4261 7.4630 7.8924 7.9482 8.1255 8.1342 9.9374 9.9378 10.0553 10.0663 10.1790 10.1825 14.4169 14.4248 14.5876 14.5882 14.6512 14.6539 17.1038 17.1302 k = 0.5000 0.3629-0.3664 ( 2740 PWs) bands (ev): -45.9156 -45.9156 -22.6703 -22.6689 -22.0240 -22.0230 -22.0172 -22.0151 -14.1195 -14.1195 -5.8014 -5.7989 -5.6384 -5.6325 -5.6136 -5.6100 -1.2876 -1.2349 0.3892 0.4047 0.5263 0.5773 6.1946 6.1964 6.7898 6.7954 6.9522 6.9546 7.4581 7.4979 7.9000 7.9561 8.1273 8.1361 9.9767 9.9772 10.0802 10.0906 10.1978 10.2016 14.4501 14.4572 14.6118 14.6125 14.6696 14.6722 17.1027 17.1319 k = 0.5000 0.3717-0.3753 ( 2740 PWs) bands (ev): -45.9155 -45.9155 -22.6708 -22.6696 -22.0243 -22.0233 -22.0181 -22.0161 -14.1167 -14.1166 -5.7755 -5.7735 -5.6339 -5.6281 -5.6093 -5.6059 -1.3087 -1.2581 0.3677 0.3823 0.4897 0.5387 6.1768 6.1783 6.7720 6.7767 6.9202 6.9219 7.4888 7.5309 7.9105 7.9663 8.1297 8.1386 10.0150 10.0158 10.1049 10.1146 10.2152 10.2193 14.4810 14.4873 14.6355 14.6364 14.6874 14.6898 17.0958 17.1274 k = 0.5000 0.3806-0.3842 ( 2740 PWs) bands (ev): -45.9155 -45.9155 -22.6713 -22.6701 -22.0245 -22.0237 -22.0190 -22.0171 -14.1139 -14.1139 -5.7508 -5.7493 -5.6293 -5.6237 -5.6050 -5.6019 -1.3289 -1.2805 0.3474 0.3611 0.4547 0.5015 6.1585 6.1598 6.7560 6.7600 6.8894 6.8907 7.5177 7.5611 7.9240 7.9787 8.1325 8.1417 10.0521 10.0533 10.1291 10.1383 10.2311 10.2357 14.5096 14.5151 14.6585 14.6596 14.7046 14.7068 17.0848 17.1184 k = 0.5000 0.3895-0.3931 ( 2742 PWs) bands (ev): -45.9155 -45.9155 -22.6718 -22.6707 -22.0248 -22.0240 -22.0198 -22.0180 -14.1114 -14.1114 -5.7273 -5.7265 -5.6247 -5.6192 -5.6009 -5.5981 -1.3481 -1.3022 0.3284 0.3412 0.4215 0.4659 6.1402 6.1413 6.7418 6.7453 6.8599 6.8612 7.5442 7.5879 7.9404 7.9930 8.1357 8.1451 10.0877 10.0893 10.1529 10.1616 10.2458 10.2507 14.5359 14.5406 14.6807 14.6820 14.7210 14.7231 17.0713 17.1063 k = 0.5000 0.3984-0.4020 ( 2744 PWs) bands (ev): -45.9154 -45.9154 -22.6723 -22.6712 -22.0251 -22.0244 -22.0205 -22.0189 -14.1091 -14.1090 -5.7054 -5.7052 -5.6202 -5.6146 -5.5969 -5.5945 -1.3662 -1.3230 0.3107 0.3225 0.3903 0.4321 6.1220 6.1229 6.7293 6.7323 6.8321 6.8334 7.5681 7.6109 7.9594 8.0088 8.1390 8.1487 10.1216 10.1236 10.1759 10.1842 10.2591 10.2644 14.5600 14.5639 14.7019 14.7032 14.7365 14.7385 17.0565 17.0925 k = 0.5000 0.4073-0.4110 ( 2746 PWs) bands (ev): -45.9154 -45.9154 -22.6727 -22.6717 -22.0253 -22.0248 -22.0212 -22.0197 -14.1069 -14.1069 -5.6858 -5.6847 -5.6159 -5.6100 -5.5931 -5.5910 -1.3830 -1.3428 0.2944 0.3052 0.3613 0.4002 6.1043 6.1050 6.7185 6.7211 6.8061 6.8075 7.5894 7.6302 7.9805 8.0257 8.1425 8.1525 10.1535 10.1558 10.1982 10.2062 10.2712 10.2770 14.5818 14.5851 14.7219 14.7232 14.7512 14.7530 17.0418 17.0782 k = 0.5000 0.4161-0.4199 ( 2744 PWs) bands (ev): -45.9154 -45.9154 -22.6730 -22.6721 -22.0256 -22.0251 -22.0217 -22.0204 -14.1049 -14.1049 -5.6681 -5.6658 -5.6119 -5.6052 -5.5894 -5.5877 -1.3985 -1.3615 0.2795 0.2892 0.3347 0.3705 6.0873 6.0878 6.7091 6.7113 6.7823 6.7836 7.6081 7.6461 8.0030 8.0432 8.1458 8.1563 10.1831 10.1858 10.2195 10.2272 10.2820 10.2884 14.6015 14.6042 14.7405 14.7418 14.7648 14.7665 17.0280 17.0644 k = 0.5000 0.4250-0.4288 ( 2744 PWs) bands (ev): -45.9153 -45.9153 -22.6733 -22.6725 -22.0258 -22.0254 -22.0222 -22.0210 -14.1031 -14.1030 -5.6524 -5.6486 -5.6081 -5.6003 -5.5859 -5.5845 -1.4124 -1.3788 0.2661 0.2747 0.3106 0.3431 6.0712 6.0717 6.7011 6.7030 6.7606 6.7619 7.6244 7.6588 8.0260 8.0605 8.1491 8.1600 10.2101 10.2132 10.2396 10.2472 10.2916 10.2987 14.6190 14.6213 14.7575 14.7588 14.7774 14.7789 17.0160 17.0516 k = 0.5000 0.4339-0.4377 ( 2742 PWs) bands (ev): -45.9153 -45.9153 -22.6736 -22.6729 -22.0260 -22.0257 -22.0226 -22.0216 -14.1014 -14.1014 -5.6390 -5.6334 -5.6045 -5.5951 -5.5828 -5.5815 -1.4248 -1.3948 0.2542 0.2617 0.2892 0.3183 6.0564 6.0568 6.6943 6.6960 6.7411 6.7424 7.6383 7.6688 8.0486 8.0772 8.1522 8.1636 10.2343 10.2378 10.2584 10.2658 10.3002 10.3080 14.6345 14.6363 14.7729 14.7740 14.7889 14.7902 17.0063 17.0405 k = 0.5000 0.4428-0.4466 ( 2742 PWs) bands (ev): -45.9153 -45.9153 -22.6739 -22.6732 -22.0262 -22.0260 -22.0229 -22.0221 -14.1000 -14.1000 -5.6279 -5.6204 -5.6010 -5.5898 -5.5799 -5.5786 -1.4356 -1.4093 0.2439 0.2502 0.2706 0.2960 6.0431 6.0433 6.6887 6.6901 6.7240 6.7252 7.6503 7.6766 8.0702 8.0927 8.1550 8.1669 10.2554 10.2593 10.2756 10.2828 10.3077 10.3163 14.6479 14.6493 14.7864 14.7874 14.7992 14.8003 16.9994 17.0312 k = 0.5000 0.4517-0.4555 ( 2742 PWs) bands (ev): -45.9153 -45.9153 -22.6741 -22.6735 -22.0264 -22.0263 -22.0232 -22.0225 -14.0988 -14.0988 -5.6192 -5.6105 -5.5969 -5.5844 -5.5774 -5.5758 -1.4445 -1.4222 0.2352 0.2402 0.2548 0.2765 6.0313 6.0315 6.6841 6.6852 6.7094 6.7104 7.6603 7.6824 8.0899 8.1065 8.1576 8.1698 10.2732 10.2774 10.2911 10.2978 10.3144 10.3238 14.6593 14.6604 14.7980 14.7988 14.8083 14.8091 16.9954 17.0236 k = 0.5000 0.4606-0.4644 ( 2758 PWs) bands (ev): -45.9153 -45.9153 -22.6743 -22.6739 -22.0266 -22.0266 -22.0234 -22.0229 -14.0978 -14.0978 -5.6127 -5.6044 -5.5914 -5.5795 -5.5750 -5.5732 -1.4517 -1.4334 0.2280 0.2318 0.2420 0.2598 6.0214 6.0215 6.6804 6.6813 6.6972 6.6981 7.6687 7.6865 8.1073 8.1182 8.1599 8.1721 10.2876 10.2921 10.3044 10.3102 10.3209 10.3304 14.6687 14.6695 14.8076 14.8081 14.8161 14.8166 16.9944 17.0171 k = 0.5000 0.4694-0.4733 ( 2768 PWs) bands (ev): -45.9153 -45.9153 -22.6744 -22.6741 -22.0268 -22.0268 -22.0236 -22.0232 -14.0970 -14.0970 -5.6078 -5.6015 -5.5855 -5.5762 -5.5722 -5.5707 -1.4570 -1.4428 0.2226 0.2250 0.2321 0.2460 6.0133 6.0134 6.6775 6.6782 6.6875 6.6882 7.6756 7.6892 8.1216 8.1277 8.1621 8.1736 10.2987 10.3033 10.3151 10.3189 10.3280 10.3361 14.6762 14.6768 14.8150 14.8153 14.8225 14.8228 16.9959 17.0112 k = 0.5000 0.4783-0.4822 ( 2786 PWs) bands (ev): -45.9153 -45.9153 -22.6746 -22.6744 -22.0271 -22.0270 -22.0238 -22.0235 -14.0964 -14.0964 -5.6044 -5.6001 -5.5806 -5.5746 -5.5691 -5.5685 -1.4603 -1.4504 0.2188 0.2200 0.2253 0.2351 6.0073 6.0074 6.6755 6.6760 6.6804 6.6809 7.6811 7.6905 8.1324 8.1349 8.1644 8.1742 10.3067 10.3107 10.3229 10.3244 10.3352 10.3406 14.6816 14.6820 14.8204 14.8205 14.8274 14.8275 16.9986 17.0059 k = 0.5000 0.4872-0.4911 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6746 -22.0272 -22.0272 -22.0238 -22.0237 -14.0960 -14.0960 -5.6020 -5.5996 -5.5772 -5.5742 -5.5669 -5.5667 -1.4617 -1.4561 0.2164 0.2167 0.2215 0.2273 6.0034 6.0034 6.6742 6.6744 6.6760 6.6762 7.6853 7.6906 8.1392 8.1397 8.1672 8.1735 10.3121 10.3146 10.3278 10.3280 10.3407 10.3436 14.6852 14.6854 14.8238 14.8238 14.8307 14.8307 17.0013 17.0029 k = 0.5000 0.4961-0.5000 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6005 -5.6000 -5.5752 -5.5745 -5.5658 -5.5658 -1.4611 -1.4598 0.2153 0.2154 0.2212 0.2226 6.0017 6.0017 6.6734 6.6734 6.6744 6.6744 7.6883 7.6895 8.1420 8.1420 8.1701 8.1717 10.3150 10.3156 10.3298 10.3298 10.3438 10.3444 14.6868 14.6868 14.8253 14.8253 14.8321 14.8321 17.0002 17.0013 k = 0.5026 0.4987 0.4948 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6005 -5.6000 -5.5752 -5.5745 -5.5658 -5.5658 -1.4611 -1.4598 0.2153 0.2154 0.2212 0.2226 6.0017 6.0017 6.6734 6.6734 6.6744 6.6744 7.6883 7.6895 8.1420 8.1420 8.1701 8.1717 10.3150 10.3156 10.3298 10.3298 10.3438 10.3444 14.6868 14.6868 14.8253 14.8253 14.8321 14.8321 17.0002 17.0002 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6002 -5.6002 -5.5748 -5.5748 -5.5658 -5.5658 -1.4605 -1.4605 0.2153 0.2153 0.2217 0.2217 6.0016 6.0016 6.6734 6.6734 6.6743 6.6743 7.6890 7.6890 8.1421 8.1421 8.1709 8.1709 10.3154 10.3154 10.3299 10.3299 10.3442 10.3442 14.6869 14.6869 14.8254 14.8254 14.8322 14.8322 17.0001 17.0002 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6002 -5.6002 -5.5748 -5.5748 -5.5658 -5.5658 -1.4605 -1.4605 0.2153 0.2153 0.2217 0.2217 6.0016 6.0016 6.6734 6.6734 6.6743 6.6743 7.6890 7.6890 8.1421 8.1421 8.1709 8.1709 10.3154 10.3154 10.3299 10.3299 10.3442 10.3442 14.6869 14.6869 14.8254 14.8254 14.8322 14.8322 17.0001 17.0001 k = 0.4926 0.4914 0.4901 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0272 -22.0272 -22.0238 -22.0238 -14.0960 -14.0960 -5.6009 -5.6009 -5.5755 -5.5755 -5.5660 -5.5660 -1.4595 -1.4595 0.2161 0.2161 0.2234 0.2234 6.0029 6.0029 6.6741 6.6741 6.6750 6.6751 7.6885 7.6885 8.1418 8.1419 8.1691 8.1691 10.3138 10.3138 10.3283 10.3283 10.3435 10.3435 14.6861 14.6861 14.8243 14.8244 14.8312 14.8312 17.0021 17.0028 k = 0.4853 0.4840 0.4828 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6746 -22.6746 -22.0272 -22.0272 -22.0237 -22.0237 -14.0963 -14.0963 -5.6031 -5.6031 -5.5772 -5.5772 -5.5666 -5.5666 -1.4565 -1.4565 0.2185 0.2185 0.2283 0.2283 6.0069 6.0069 6.6763 6.6763 6.6773 6.6774 7.6869 7.6869 8.1410 8.1412 8.1636 8.1636 10.3092 10.3092 10.3233 10.3235 10.3413 10.3413 14.6836 14.6836 14.8213 14.8215 14.8282 14.8282 17.0088 17.0100 k = 0.4779 0.4767 0.4754 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6745 -22.6745 -22.0270 -22.0270 -22.0236 -22.0236 -14.0968 -14.0968 -5.6070 -5.6070 -5.5799 -5.5799 -5.5676 -5.5676 -1.4515 -1.4515 0.2225 0.2225 0.2365 0.2365 6.0135 6.0135 6.6801 6.6801 6.6810 6.6812 7.6844 7.6844 8.1398 8.1400 8.1546 8.1546 10.3014 10.3014 10.3152 10.3154 10.3377 10.3377 14.6796 14.6796 14.8162 14.8166 14.8233 14.8233 17.0200 17.0218 k = 0.4706 0.4694 0.4681 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6743 -22.6743 -22.0268 -22.0268 -22.0234 -22.0234 -14.0976 -14.0976 -5.6130 -5.6130 -5.5831 -5.5831 -5.5691 -5.5691 -1.4446 -1.4446 0.2281 0.2281 0.2479 0.2479 6.0227 6.0227 6.6853 6.6853 6.6863 6.6865 7.6807 7.6807 8.1381 8.1384 8.1423 8.1423 10.2905 10.2905 10.3040 10.3043 10.3328 10.3328 14.6739 14.6739 14.8092 14.8097 14.8163 14.8163 17.0355 17.0380 k = 0.4632 0.4620 0.4608 ( 2734 PWs) bands (ev): -45.9153 -45.9153 -22.6738 -22.6738 -22.0264 -22.0264 -22.0228 -22.0228 -14.0986 -14.0986 -5.6212 -5.6212 -5.5866 -5.5866 -5.5709 -5.5708 -1.4358 -1.4358 0.2352 0.2352 0.2625 0.2625 6.0345 6.0345 6.6920 6.6920 6.6931 6.6934 7.6759 7.6759 8.1270 8.1270 8.1359 8.1363 10.2766 10.2766 10.2899 10.2902 10.3268 10.3268 14.6667 14.6667 14.8003 14.8009 14.8074 14.8074 17.0550 17.0579 k = 0.4559 0.4547 0.4535 ( 2728 PWs) bands (ev): -45.9153 -45.9153 -22.6735 -22.6735 -22.0261 -22.0261 -22.0225 -22.0225 -14.0998 -14.0998 -5.6317 -5.6317 -5.5901 -5.5901 -5.5731 -5.5731 -1.4252 -1.4252 0.2439 0.2439 0.2802 0.2802 6.0488 6.0488 6.7002 6.7002 6.7013 6.7017 7.6698 7.6698 8.1091 8.1091 8.1332 8.1338 10.2598 10.2598 10.2729 10.2733 10.3195 10.3195 14.6578 14.6578 14.7893 14.7901 14.7966 14.7966 17.0781 17.0816 k = 0.4485 0.4474 0.4462 ( 2734 PWs) bands (ev): -45.9153 -45.9153 -22.6733 -22.6733 -22.0258 -22.0258 -22.0223 -22.0223 -14.1012 -14.1012 -5.6445 -5.6445 -5.5937 -5.5937 -5.5757 -5.5757 -1.4129 -1.4129 0.2540 0.2540 0.3009 0.3009 6.0655 6.0655 6.7097 6.7097 6.7110 6.7115 7.6622 7.6622 8.0889 8.0889 8.1301 8.1308 10.2402 10.2402 10.2534 10.2538 10.3110 10.3110 14.6474 14.6474 14.7765 14.7774 14.7839 14.7839 17.1042 17.1083 k = 0.4412 0.4400 0.4389 ( 2743 PWs) bands (ev): -45.9153 -45.9153 -22.6730 -22.6730 -22.0254 -22.0254 -22.0219 -22.0219 -14.1028 -14.1028 -5.6593 -5.6593 -5.5975 -5.5975 -5.5786 -5.5786 -1.3990 -1.3990 0.2656 0.2656 0.3244 0.3244 6.0846 6.0846 6.7208 6.7208 6.7222 6.7227 7.6530 7.6530 8.0672 8.0672 8.1266 8.1273 10.2182 10.2182 10.2315 10.2320 10.3015 10.3015 14.6355 14.6355 14.7617 14.7628 14.7692 14.7692 17.1328 17.1375 k = 0.4338 0.4327 0.4316 ( 2743 PWs) bands (ev): -45.9154 -45.9154 -22.6726 -22.6726 -22.0250 -22.0250 -22.0215 -22.0215 -14.1047 -14.1047 -5.6759 -5.6759 -5.6015 -5.6015 -5.5819 -5.5819 -1.3837 -1.3837 0.2786 0.2786 0.3508 0.3508 6.1060 6.1060 6.7332 6.7332 6.7347 6.7354 7.6421 7.6421 8.0444 8.0444 8.1227 8.1235 10.1939 10.1939 10.2075 10.2080 10.2907 10.2907 14.6221 14.6221 14.7451 14.7463 14.7527 14.7527 17.1633 17.1686 k = 0.4265 0.4254 0.4242 ( 2737 PWs) bands (ev): -45.9154 -45.9154 -22.6722 -22.6722 -22.0244 -22.0244 -22.0211 -22.0211 -14.1068 -14.1068 -5.6943 -5.6943 -5.6057 -5.6057 -5.5856 -5.5856 -1.3669 -1.3669 0.2929 0.2930 0.3798 0.3798 6.1296 6.1296 6.7470 6.7470 6.7487 6.7494 7.6293 7.6293 8.0212 8.0212 8.1184 8.1193 10.1676 10.1676 10.1817 10.1822 10.2789 10.2789 14.6072 14.6072 14.7266 14.7280 14.7344 14.7344 17.1946 17.2007 k = 0.4191 0.4180 0.4169 ( 2737 PWs) bands (ev): -45.9154 -45.9154 -22.6717 -22.6717 -22.0239 -22.0239 -22.0206 -22.0206 -14.1090 -14.1090 -5.7142 -5.7142 -5.6101 -5.6101 -5.5895 -5.5895 -1.3490 -1.3490 0.3086 0.3086 0.4113 0.4113 6.1553 6.1553 6.7621 6.7621 6.7641 6.7649 7.6144 7.6144 7.9982 7.9982 8.1137 8.1148 10.1396 10.1396 10.1543 10.1548 10.2660 10.2660 14.5908 14.5908 14.7063 14.7078 14.7142 14.7142 17.2260 17.2324 k = 0.4118 0.4107 0.4096 ( 2743 PWs) bands (ev): -45.9155 -45.9155 -22.6713 -22.6713 -22.0234 -22.0234 -22.0200 -22.0200 -14.1115 -14.1115 -5.7355 -5.7355 -5.6147 -5.6147 -5.5938 -5.5938 -1.3299 -1.3299 0.3254 0.3255 0.4451 0.4451 6.1828 6.1828 6.7786 6.7786 6.7808 6.7817 7.5974 7.5974 7.9761 7.9761 8.1087 8.1099 10.1101 10.1101 10.1256 10.1262 10.2520 10.2520 14.5730 14.5730 14.6843 14.6859 14.6923 14.6923 17.2564 17.2632 k = 0.4044 0.4034 0.4023 ( 2743 PWs) bands (ev): -45.9155 -45.9155 -22.6707 -22.6707 -22.0228 -22.0228 -22.0194 -22.0194 -14.1142 -14.1142 -5.7579 -5.7579 -5.6196 -5.6196 -5.5983 -5.5983 -1.3098 -1.3098 0.3434 0.3435 0.4810 0.4810 6.2121 6.2121 6.7963 6.7963 6.7988 6.7998 7.5784 7.5784 7.9554 7.9554 8.1034 8.1048 10.0795 10.0795 10.0959 10.0965 10.2370 10.2370 14.5538 14.5538 14.6605 14.6622 14.6687 14.6687 17.2846 17.2918 k = 0.3971 0.3960 0.3950 ( 2740 PWs) bands (ev): -45.9155 -45.9155 -22.6701 -22.6701 -22.0221 -22.0221 -22.0188 -22.0188 -14.1170 -14.1170 -5.7815 -5.7815 -5.6247 -5.6247 -5.6031 -5.6031 -1.2890 -1.2890 0.3625 0.3625 0.5188 0.5188 6.2429 6.2429 6.8153 6.8153 6.8181 6.8192 7.5575 7.5575 7.9365 7.9365 8.0979 8.0995 10.0480 10.0480 10.0655 10.0661 10.2210 10.2210 14.5333 14.5333 14.6350 14.6369 14.6434 14.6434 17.3092 17.3166 k = 0.3897 0.3887 0.3877 ( 2728 PWs) bands (ev): -45.9156 -45.9156 -22.6695 -22.6695 -22.0213 -22.0213 -22.0181 -22.0181 -14.1201 -14.1201 -5.8059 -5.8059 -5.6300 -5.6300 -5.6081 -5.6081 -1.2674 -1.2674 0.3825 0.3826 0.5584 0.5584 6.2750 6.2750 6.8355 6.8355 6.8386 6.8398 7.5352 7.5352 7.9196 7.9196 8.0923 8.0940 10.0158 10.0158 10.0347 10.0352 10.2042 10.2042 14.5113 14.5113 14.6079 14.6099 14.6164 14.6164 17.3291 17.3367 k = 0.3824 0.3814 0.3804 ( 2722 PWs) bands (ev): -45.9156 -45.9156 -22.6688 -22.6688 -22.0206 -22.0206 -22.0173 -22.0173 -14.1234 -14.1234 -5.8311 -5.8311 -5.6355 -5.6355 -5.6134 -5.6134 -1.2452 -1.2452 0.4035 0.4036 0.5993 0.5993 6.3081 6.3081 6.8569 6.8569 6.8603 6.8617 7.5120 7.5120 7.9050 7.9050 8.0865 8.0884 9.9833 9.9833 10.0037 10.0042 10.1864 10.1864 14.4880 14.4880 14.5792 14.5813 14.5880 14.5880 17.3431 17.3508 k = 0.3750 0.3740 0.3730 ( 2728 PWs) bands (ev): -45.9157 -45.9157 -22.6682 -22.6682 -22.0198 -22.0198 -22.0166 -22.0166 -14.1268 -14.1268 -5.8569 -5.8569 -5.6412 -5.6412 -5.6188 -5.6188 -1.2226 -1.2226 0.4253 0.4253 0.6415 0.6415 6.3419 6.3419 6.8794 6.8794 6.8832 6.8847 7.4888 7.4888 7.8926 7.8926 8.0807 8.0827 9.9506 9.9506 9.9728 9.9733 10.1677 10.1677 14.4633 14.4633 14.5489 14.5512 14.5580 14.5580 17.3503 17.3577 k = 0.3676 0.3667 0.3657 ( 2728 PWs) bands (ev): -45.9157 -45.9157 -22.6675 -22.6675 -22.0190 -22.0190 -22.0159 -22.0159 -14.1305 -14.1305 -5.8832 -5.8832 -5.6470 -5.6470 -5.6244 -5.6244 -1.1997 -1.1997 0.4478 0.4478 0.6846 0.6846 6.3760 6.3760 6.9029 6.9029 6.9072 6.9088 7.4664 7.4664 7.8824 7.8824 8.0749 8.0771 9.9181 9.9181 9.9422 9.9427 10.1483 10.1483 14.4374 14.4374 14.5172 14.5196 14.5265 14.5265 17.3500 17.3572 k = 0.3603 0.3594 0.3584 ( 2725 PWs) bands (ev): -45.9158 -45.9158 -22.6667 -22.6667 -22.0181 -22.0181 -22.0150 -22.0150 -14.1343 -14.1343 -5.9098 -5.9098 -5.6529 -5.6529 -5.6302 -5.6302 -1.1766 -1.1766 0.4709 0.4710 0.7283 0.7283 6.4100 6.4100 6.9275 6.9275 6.9322 6.9339 7.4459 7.4459 7.8742 7.8742 8.0693 8.0717 9.8860 9.8860 9.9122 9.9127 10.1281 10.1281 14.4101 14.4101 14.4841 14.4866 14.4936 14.4936 17.3419 17.3485 k = 0.3529 0.3520 0.3511 ( 2719 PWs) bands (ev): -45.9158 -45.9158 -22.6659 -22.6659 -22.0172 -22.0172 -22.0141 -22.0141 -14.1383 -14.1383 -5.9367 -5.9367 -5.6589 -5.6589 -5.6361 -5.6361 -1.1535 -1.1535 0.4945 0.4946 0.7724 0.7724 6.4434 6.4434 6.9530 6.9530 6.9583 6.9601 7.4282 7.4282 7.8679 7.8679 8.0638 8.0665 9.8544 9.8544 9.8831 9.8835 10.1072 10.1072 14.3816 14.3816 14.4496 14.4523 14.4595 14.4595 17.3261 17.3321 k = 0.3456 0.3447 0.3438 ( 2728 PWs) bands (ev): -45.9159 -45.9159 -22.6652 -22.6652 -22.0163 -22.0163 -22.0133 -22.0133 -14.1425 -14.1425 -5.9636 -5.9636 -5.6650 -5.6650 -5.6421 -5.6421 -1.1305 -1.1305 0.5186 0.5187 0.8166 0.8166 6.4757 6.4757 6.9795 6.9795 6.9853 6.9873 7.4144 7.4144 7.8635 7.8635 8.0587 8.0616 9.8236 9.8236 9.8549 9.8553 10.0856 10.0856 14.3518 14.3518 14.4138 14.4166 14.4241 14.4241 17.3030 17.3084 k = 0.3382 0.3374 0.3365 ( 2728 PWs) bands (ev): -45.9159 -45.9159 -22.6643 -22.6643 -22.0154 -22.0154 -22.0124 -22.0124 -14.1469 -14.1469 -5.9905 -5.9905 -5.6711 -5.6711 -5.6481 -5.6481 -1.1076 -1.1076 0.5430 0.5431 0.8604 0.8604 6.5064 6.5064 7.0068 7.0068 7.0132 7.0154 7.4056 7.4056 7.8608 7.8608 8.0541 8.0572 9.7938 9.7938 9.8279 9.8283 10.0635 10.0635 14.3207 14.3207 14.3768 14.3797 14.3875 14.3875 17.2732 17.2778 k = 0.3309 0.3300 0.3292 ( 2734 PWs) bands (ev): -45.9160 -45.9160 -22.6635 -22.6635 -22.0144 -22.0144 -22.0115 -22.0115 -14.1514 -14.1514 -6.0172 -6.0172 -5.6772 -5.6772 -5.6543 -5.6542 -1.0850 -1.0850 0.5676 0.5677 0.9037 0.9037 6.5351 6.5351 7.0349 7.0349 7.0419 7.0443 7.4026 7.4026 7.8597 7.8597 8.0500 8.0533 9.7651 9.7651 9.8023 9.8026 10.0409 10.0409 14.2884 14.2884 14.3387 14.3417 14.3497 14.3497 17.2374 17.2413 k = 0.3235 0.3227 0.3218 ( 2734 PWs) bands (ev): -45.9161 -45.9161 -22.6626 -22.6626 -22.0134 -22.0134 -22.0105 -22.0105 -14.1561 -14.1561 -6.0437 -6.0437 -5.6834 -5.6834 -5.6604 -5.6604 -1.0629 -1.0629 0.5923 0.5924 0.9462 0.9462 6.5614 6.5614 7.0638 7.0638 7.0714 7.0740 7.4063 7.4063 7.8603 7.8603 8.0466 8.0502 9.7378 9.7378 9.7781 9.7784 10.0177 10.0177 14.2549 14.2549 14.2995 14.3026 14.3110 14.3110 17.1963 17.1997 k = 0.3162 0.3153 0.3145 ( 2737 PWs) bands (ev): -45.9161 -45.9161 -22.6618 -22.6618 -22.0124 -22.0124 -22.0095 -22.0095 -14.1609 -14.1609 -6.0698 -6.0698 -5.6895 -5.6895 -5.6666 -5.6666 -1.0412 -1.0412 0.6170 0.6171 0.9874 0.9874 6.5853 6.5853 7.0934 7.0934 7.1017 7.1045 7.4171 7.4171 7.8624 7.8624 8.0440 8.0478 9.7119 9.7119 9.7556 9.7558 9.9942 9.9942 14.2202 14.2202 14.2593 14.2626 14.2713 14.2713 17.1505 17.1525 k = 0.3088 0.3080 0.3072 ( 2737 PWs) bands (ev): -45.9162 -45.9162 -22.6608 -22.6608 -22.0113 -22.0113 -22.0085 -22.0085 -14.1659 -14.1659 -6.0955 -6.0955 -5.6956 -5.6956 -5.6728 -5.6727 -1.0202 -1.0202 0.6416 0.6417 1.0271 1.0271 6.6068 6.6068 7.1236 7.1236 7.1326 7.1356 7.4352 7.4352 7.8662 7.8662 8.0423 8.0465 9.6877 9.6877 9.7348 9.7349 9.9702 9.9702 14.1844 14.1844 14.2182 14.2216 14.2308 14.2308 17.1003 17.1010 k = 0.3015 0.3007 0.2999 ( 2737 PWs) bands (ev): -45.9163 -45.9163 -22.6599 -22.6599 -22.0103 -22.0103 -22.0075 -22.0075 -14.1710 -14.1710 -6.1207 -6.1207 -5.7016 -5.7016 -5.6789 -5.6789 -0.9998 -0.9998 0.6660 0.6661 1.0650 1.0650 6.6262 6.6262 7.1544 7.1544 7.1642 7.1674 7.4607 7.4607 7.8716 7.8716 8.0417 8.0462 9.6651 9.6651 9.7158 9.7159 9.9460 9.9460 14.1475 14.1475 14.1762 14.1797 14.1895 14.1895 17.0462 17.0464 k = 0.2941 0.2933 0.2926 ( 2737 PWs) bands (ev): -45.9163 -45.9163 -22.6590 -22.6590 -22.0092 -22.0092 -22.0064 -22.0064 -14.1763 -14.1763 -6.1452 -6.1452 -5.7075 -5.7075 -5.6850 -5.6850 -0.9802 -0.9802 0.6900 0.6901 1.1009 1.1009 6.6443 6.6443 7.1858 7.1858 7.1963 7.1998 7.4932 7.4932 7.8786 7.8786 8.0423 8.0471 9.6444 9.6444 9.6987 9.6987 9.9215 9.9215 14.1094 14.1094 14.1335 14.1371 14.1474 14.1474 16.9884 16.9885 k = 0.2868 0.2860 0.2853 ( 2737 PWs) bands (ev): -45.9164 -45.9164 -22.6580 -22.6580 -22.0081 -22.0081 -22.0053 -22.0053 -14.1817 -14.1817 -6.1690 -6.1690 -5.7133 -5.7133 -5.6910 -5.6910 -0.9615 -0.9615 0.7137 0.7138 1.1345 1.1345 6.6616 6.6616 7.2177 7.2177 7.2290 7.2327 7.5322 7.5322 7.8872 7.8872 8.0442 8.0493 9.6256 9.6256 9.6834 9.6835 9.8968 9.8968 14.0703 14.0703 14.0900 14.0938 14.1048 14.1048 16.9282 16.9282 k = 0.2794 0.2787 0.2780 ( 2737 PWs) bands (ev): -45.9165 -45.9165 -22.6570 -22.6570 -22.0069 -22.0069 -22.0043 -22.0043 -14.1873 -14.1873 -6.1921 -6.1921 -5.7190 -5.7190 -5.6970 -5.6970 -0.9437 -0.9437 0.7368 0.7369 1.1655 1.1655 6.6791 6.6791 7.2500 7.2500 7.2621 7.2661 7.5770 7.5770 7.8975 7.8975 8.0475 8.0530 9.6088 9.6088 9.6702 9.6703 9.8720 9.8720 14.0302 14.0302 14.0460 14.0499 14.0617 14.0617 16.8657 16.8661 k = 0.2721 0.2713 0.2706 ( 2737 PWs) bands (ev): -45.9165 -45.9165 -22.6561 -22.6561 -22.0058 -22.0058 -22.0032 -22.0032 -14.1929 -14.1929 -6.2144 -6.2144 -5.7246 -5.7246 -5.7029 -5.7028 -0.9270 -0.9270 0.7593 0.7594 1.1937 1.1937 6.6974 6.6974 7.2826 7.2826 7.2957 7.2999 7.6271 7.6271 7.9095 7.9095 8.0524 8.0582 9.5941 9.5941 9.6590 9.6591 9.8471 9.8471 13.9891 13.9891 14.0015 14.0054 14.0181 14.0181 16.8013 16.8013 k = 0.2647 0.2640 0.2633 ( 2734 PWs) bands (ev): -45.9166 -45.9166 -22.6551 -22.6551 -22.0047 -22.0047 -22.0021 -22.0021 -14.1987 -14.1987 -6.2358 -6.2358 -5.7300 -5.7300 -5.7086 -5.7086 -0.9113 -0.9113 0.7811 0.7813 1.2191 1.2191 6.7174 6.7174 7.3157 7.3157 7.3297 7.3342 7.6816 7.6816 7.9232 7.9232 8.0589 8.0650 9.5814 9.5814 9.6498 9.6500 9.8222 9.8222 13.9471 13.9471 13.9565 13.9605 13.9742 13.9742 16.7352 16.7352 k = 0.2574 0.2567 0.2560 ( 2734 PWs) bands (ev): -45.9167 -45.9167 -22.6541 -22.6541 -22.0035 -22.0035 -22.0009 -22.0009 -14.2045 -14.2045 -6.2563 -6.2563 -5.7352 -5.7352 -5.7143 -5.7142 -0.8967 -0.8967 0.8022 0.8023 1.2414 1.2414 6.7395 6.7395 7.3489 7.3490 7.3641 7.3689 7.7401 7.7401 7.9386 7.9386 8.0670 8.0735 9.5709 9.5709 9.6426 9.6428 9.7972 9.7972 13.9043 13.9044 13.9111 13.9152 13.9300 13.9300 16.6677 16.6677 k = 0.2500 0.2493 0.2487 ( 2728 PWs) bands (ev): -45.9167 -45.9167 -22.6530 -22.6530 -22.0024 -22.0024 -21.9998 -21.9998 -14.2105 -14.2105 -6.2759 -6.2759 -5.7403 -5.7403 -5.7198 -5.7197 -0.8832 -0.8832 0.8224 0.8225 1.2606 1.2606 6.7643 6.7643 7.3825 7.3825 7.3989 7.4039 7.8021 7.8021 7.9558 7.9558 8.0769 8.0837 9.5626 9.5626 9.6375 9.6378 9.7724 9.7724 13.8609 13.8609 13.8654 13.8696 13.8855 13.8855 16.5989 16.5989 k = 0.2426 0.2420 0.2414 ( 2734 PWs) bands (ev): -45.9168 -45.9168 -22.6521 -22.6521 -22.0012 -22.0012 -21.9987 -21.9987 -14.2165 -14.2165 -6.2945 -6.2945 -5.7452 -5.7452 -5.7251 -5.7251 -0.8710 -0.8710 0.8417 0.8418 1.2766 1.2766 6.7920 6.7920 7.4162 7.4162 7.4340 7.4393 7.8667 7.8667 7.9749 7.9749 8.0886 8.0958 9.5564 9.5564 9.6344 9.6347 9.7477 9.7477 13.8168 13.8168 13.8195 13.8238 13.8409 13.8409 16.5292 16.5292 k = 0.2353 0.2347 0.2341 ( 2737 PWs) bands (ev): -45.9169 -45.9169 -22.6511 -22.6511 -22.0001 -22.0001 -21.9976 -21.9976 -14.2226 -14.2226 -6.3121 -6.3121 -5.7499 -5.7499 -5.7303 -5.7303 -0.8599 -0.8599 0.8600 0.8601 1.2894 1.2894 6.8230 6.8230 7.4500 7.4500 7.4694 7.4750 7.9334 7.9334 7.9964 7.9964 8.1021 8.1096 9.5525 9.5525 9.6333 9.6336 9.7231 9.7231 13.7723 13.7723 13.7735 13.7779 13.7961 13.7961 16.4587 16.4587 k = 0.2279 0.2273 0.2268 ( 2737 PWs) bands (ev): -45.9170 -45.9170 -22.6501 -22.6501 -21.9990 -21.9990 -21.9964 -21.9964 -14.2288 -14.2288 -6.3287 -6.3287 -5.7545 -5.7545 -5.7354 -5.7353 -0.8501 -0.8501 0.8773 0.8774 1.2991 1.2991 6.8574 6.8574 7.4840 7.4840 7.5051 7.5109 7.9977 7.9977 8.0240 8.0240 8.1174 8.1252 9.5507 9.5507 9.6341 9.6345 9.6988 9.6988 13.7273 13.7275 13.7275 13.7318 13.7512 13.7512 16.3875 16.3886 k = 0.2206 0.2200 0.2194 ( 2737 PWs) bands (ev): -45.9170 -45.9170 -22.6491 -22.6491 -21.9979 -21.9979 -21.9953 -21.9953 -14.2350 -14.2350 -6.3442 -6.3442 -5.7588 -5.7588 -5.7402 -5.7402 -0.8416 -0.8416 0.8935 0.8937 1.3057 1.3057 6.8951 6.8951 7.5179 7.5179 7.5411 7.5472 8.0364 8.0364 8.0810 8.0810 8.1346 8.1426 9.5510 9.5510 9.6369 9.6373 9.6748 9.6748 13.6812 13.6824 13.6824 13.6858 13.7062 13.7062 16.3159 16.3159 k = 0.2132 0.2127 0.2121 ( 2731 PWs) bands (ev): -45.9171 -45.9171 -22.6481 -22.6481 -21.9967 -21.9967 -21.9941 -21.9941 -14.2412 -14.2412 -6.3587 -6.3587 -5.7629 -5.7629 -5.7449 -5.7449 -0.8343 -0.8343 0.9087 0.9088 1.3094 1.3094 6.9361 6.9361 7.5518 7.5518 7.5773 7.5836 8.0638 8.0638 8.1526 8.1526 8.1535 8.1618 9.5535 9.5535 9.6415 9.6420 9.6511 9.6511 13.6351 13.6373 13.6373 13.6398 13.6613 13.6613 16.2440 16.2440 k = 0.2059 0.2053 0.2048 ( 2731 PWs) bands (ev): -45.9172 -45.9172 -22.6471 -22.6471 -21.9956 -21.9956 -21.9930 -21.9930 -14.2474 -14.2474 -6.3722 -6.3722 -5.7668 -5.7668 -5.7494 -5.7494 -0.8282 -0.8282 0.9227 0.9229 1.3102 1.3102 6.9802 6.9802 7.5855 7.5855 7.6137 7.6202 8.0915 8.0915 8.1742 8.1827 8.2268 8.2268 9.5580 9.5580 9.6278 9.6278 9.6480 9.6485 13.5892 13.5921 13.5921 13.5939 13.6165 13.6165 16.1721 16.1721 k = 0.1985 0.1980 0.1975 ( 2737 PWs) bands (ev): -45.9172 -45.9172 -22.6461 -22.6461 -21.9945 -21.9945 -21.9919 -21.9919 -14.2537 -14.2537 -6.3847 -6.3847 -5.7704 -5.7704 -5.7537 -5.7537 -0.8234 -0.8234 0.9356 0.9358 1.3083 1.3083 7.0272 7.0272 7.6190 7.6190 7.6503 7.6569 8.1207 8.1207 8.1967 8.2054 8.3025 8.3025 9.5644 9.5644 9.6050 9.6050 9.6562 9.6567 13.5435 13.5471 13.5471 13.5482 13.5719 13.5719 16.1001 16.1001 k = 0.1912 0.1907 0.1902 ( 2737 PWs) bands (ev): -45.9173 -45.9173 -22.6452 -22.6452 -21.9934 -21.9934 -21.9909 -21.9909 -14.2599 -14.2599 -6.3961 -6.3961 -5.7739 -5.7739 -5.7579 -5.7578 -0.8197 -0.8197 0.9475 0.9476 1.3040 1.3040 7.0768 7.0768 7.6520 7.6520 7.6868 7.6936 8.1515 8.1515 8.2209 8.2298 8.3792 8.3792 9.5718 9.5718 9.5836 9.5836 9.6661 9.6665 13.4980 13.5023 13.5023 13.5028 13.5275 13.5275 16.0285 16.0285 k = 0.1838 0.1833 0.1829 ( 2737 PWs) bands (ev): -45.9174 -45.9174 -22.6442 -22.6442 -21.9924 -21.9924 -21.9898 -21.9898 -14.2661 -14.2661 -6.4066 -6.4066 -5.7772 -5.7772 -5.7618 -5.7618 -0.8172 -0.8172 0.9582 0.9583 1.2974 1.2974 7.1288 7.1288 7.6847 7.6847 7.7232 7.7302 8.1838 8.1838 8.2469 8.2559 8.4567 8.4567 9.5596 9.5596 9.5842 9.5842 9.6775 9.6779 13.4528 13.4577 13.4578 13.4578 13.4836 13.4836 15.9572 15.9588 k = 0.1765 0.1760 0.1756 ( 2731 PWs) bands (ev): -45.9174 -45.9174 -22.6433 -22.6433 -21.9913 -21.9913 -21.9887 -21.9887 -14.2722 -14.2722 -6.4161 -6.4161 -5.7802 -5.7802 -5.7655 -5.7655 -0.8158 -0.8158 0.9678 0.9680 1.2889 1.2889 7.1826 7.1826 7.7167 7.7167 7.7595 7.7664 8.2179 8.2179 8.2746 8.2836 8.5348 8.5348 9.5385 9.5385 9.5959 9.5959 9.6904 9.6908 13.4081 13.4130 13.4138 13.4138 13.4401 13.4401 15.8866 15.8866 k = 0.1691 0.1687 0.1682 ( 2731 PWs) bands (ev): -45.9175 -45.9175 -22.6424 -22.6424 -21.9903 -21.9903 -21.9876 -21.9876 -14.2783 -14.2783 -6.4247 -6.4247 -5.7830 -5.7830 -5.7691 -5.7691 -0.8154 -0.8154 0.9764 0.9765 1.2785 1.2785 7.2380 7.2380 7.7479 7.7479 7.7953 7.8023 8.2536 8.2536 8.3041 8.3131 8.6132 8.6132 9.5177 9.5177 9.6094 9.6094 9.7046 9.7050 13.3637 13.3687 13.3702 13.3702 13.3972 13.3972 15.8166 15.8166 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9176 -45.9176 -22.6415 -22.6415 -21.9893 -21.9893 -21.9866 -21.9866 -14.2843 -14.2843 -6.4324 -6.4324 -5.7857 -5.7857 -5.7725 -5.7724 -0.8160 -0.8160 0.9839 0.9841 1.2665 1.2665 7.2945 7.2945 7.7784 7.7784 7.8305 7.8374 8.2910 8.2910 8.3352 8.3442 8.6917 8.6917 9.4975 9.4975 9.6245 9.6245 9.7201 9.7204 13.3199 13.3249 13.3272 13.3272 13.3551 13.3551 15.7476 15.7476 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9176 -45.9176 -22.6407 -22.6407 -21.9883 -21.9883 -21.9856 -21.9856 -14.2903 -14.2903 -6.4392 -6.4392 -5.7881 -5.7881 -5.7756 -5.7756 -0.8176 -0.8176 0.9905 0.9906 1.2533 1.2533 7.3515 7.3515 7.8079 7.8079 7.8649 7.8718 8.3300 8.3300 8.3681 8.3769 8.7701 8.7701 9.4779 9.4779 9.6409 9.6409 9.7366 9.7369 13.2767 13.2817 13.2848 13.2848 13.3139 13.3139 15.6797 15.6797 k = 0.1471 0.1467 0.1463 ( 2731 PWs) bands (ev): -45.9177 -45.9177 -22.6398 -22.6398 -21.9874 -21.9874 -21.9847 -21.9847 -14.2960 -14.2960 -6.4451 -6.4451 -5.7904 -5.7904 -5.7786 -5.7786 -0.8199 -0.8199 0.9961 0.9963 1.2389 1.2389 7.4088 7.4088 7.8363 7.8364 7.8984 7.9050 8.3704 8.3704 8.4027 8.4113 8.8481 8.8481 9.4590 9.4590 9.6585 9.6585 9.7541 9.7544 13.2341 13.2391 13.2430 13.2430 13.2737 13.2737 15.6131 15.6137 k = 0.1397 0.1393 0.1390 ( 2737 PWs) bands (ev): -45.9177 -45.9177 -22.6390 -22.6390 -21.9865 -21.9865 -21.9838 -21.9838 -14.3017 -14.3017 -6.4504 -6.4504 -5.7924 -5.7924 -5.7814 -5.7814 -0.8230 -0.8230 1.0009 1.0011 1.2238 1.2238 7.4657 7.4657 7.8638 7.8638 7.9306 7.9370 8.4122 8.4122 8.4390 8.4473 8.9255 8.9255 9.4408 9.4408 9.6771 9.6771 9.7723 9.7725 13.1923 13.1972 13.2020 13.2020 13.2348 13.2348 15.5480 15.5483 k = 0.1324 0.1320 0.1317 ( 2737 PWs) bands (ev): -45.9178 -45.9178 -22.6383 -22.6383 -21.9857 -21.9857 -21.9829 -21.9829 -14.3072 -14.3072 -6.4549 -6.4549 -5.7943 -5.7943 -5.7840 -5.7840 -0.8268 -0.8268 1.0049 1.0050 1.2080 1.2080 7.5218 7.5218 7.8902 7.8902 7.9615 7.9676 8.4553 8.4553 8.4767 8.4847 9.0020 9.0020 9.4234 9.4234 9.6965 9.6965 9.7912 9.7913 13.1512 13.1561 13.1618 13.1618 13.1972 13.1972 15.4844 15.4844 k = 0.1250 0.1247 0.1243 ( 2725 PWs) bands (ev): -45.9178 -45.9178 -22.6375 -22.6375 -21.9848 -21.9847 -21.9820 -21.9820 -14.3125 -14.3125 -6.4587 -6.4587 -5.7960 -5.7960 -5.7864 -5.7864 -0.8311 -0.8311 1.0081 1.0083 1.1918 1.1918 7.5766 7.5766 7.9157 7.9157 7.9908 7.9966 8.4993 8.4993 8.5159 8.5235 9.0774 9.0774 9.4067 9.4067 9.7166 9.7166 9.8104 9.8105 13.1110 13.1159 13.1224 13.1224 13.1611 13.1611 15.4228 15.4228 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9179 -45.9179 -22.6367 -22.6367 -21.9840 -21.9839 -21.9811 -21.9811 -14.3177 -14.3177 -6.4619 -6.4619 -5.7976 -5.7976 -5.7886 -5.7886 -0.8359 -0.8359 1.0107 1.0108 1.1755 1.1755 7.6296 7.6296 7.9402 7.9402 8.0185 8.0239 8.5441 8.5441 8.5562 8.5634 9.1512 9.1512 9.3909 9.3909 9.7370 9.7370 9.8299 9.8300 13.0718 13.0766 13.0839 13.0839 13.1267 13.1267 15.3632 15.3641 k = 0.1103 0.1100 0.1097 ( 2725 PWs) bands (ev): -45.9179 -45.9179 -22.6361 -22.6361 -21.9832 -21.9832 -21.9803 -21.9803 -14.3226 -14.3226 -6.4645 -6.4645 -5.7990 -5.7990 -5.7907 -5.7907 -0.8411 -0.8411 1.0126 1.0127 1.1592 1.1592 7.6802 7.6802 7.9640 7.9640 8.0444 8.0494 8.5893 8.5893 8.5975 8.6042 9.2232 9.2232 9.3758 9.3758 9.7577 9.7577 9.8494 9.8494 13.0337 13.0384 13.0464 13.0464 13.0941 13.0941 15.3057 15.3066 k = 0.1029 0.1027 0.1024 ( 2734 PWs) bands (ev): -45.9180 -45.9180 -22.6355 -22.6355 -21.9825 -21.9825 -21.9796 -21.9796 -14.3273 -14.3273 -6.4666 -6.4666 -5.8002 -5.8002 -5.7926 -5.7926 -0.8466 -0.8466 1.0140 1.0141 1.1431 1.1431 7.7280 7.7280 7.9872 7.9872 8.0685 8.0731 8.6347 8.6347 8.6394 8.6455 9.2930 9.2930 9.3617 9.3617 9.7784 9.7784 9.8687 9.8688 12.9968 13.0014 13.0099 13.0099 13.0634 13.0634 15.2507 15.2513 k = 0.0956 0.0953 0.0951 ( 2743 PWs) bands (ev): -45.9180 -45.9180 -22.6349 -22.6349 -21.9819 -21.9819 -21.9790 -21.9790 -14.3318 -14.3318 -6.4683 -6.4683 -5.8013 -5.8013 -5.7944 -5.7944 -0.8522 -0.8522 1.0150 1.0151 1.1273 1.1273 7.7724 7.7724 8.0101 8.0101 8.0907 8.0950 8.6797 8.6797 8.6814 8.6871 9.3481 9.3481 9.3604 9.3604 9.7989 9.7989 9.8876 9.8877 12.9612 12.9657 12.9747 12.9747 13.0348 13.0348 15.1982 15.1992 k = 0.0882 0.0880 0.0878 ( 2743 PWs) bands (ev): -45.9181 -45.9181 -22.6343 -22.6343 -21.9812 -21.9812 -21.9783 -21.9783 -14.3360 -14.3360 -6.4696 -6.4696 -5.8023 -5.8023 -5.7960 -5.7960 -0.8579 -0.8579 1.0155 1.0156 1.1121 1.1121 7.8130 7.8130 8.0327 8.0327 8.1112 8.1150 8.7233 8.7242 8.7242 8.7285 9.3359 9.3359 9.4244 9.4244 9.8191 9.8191 9.9060 9.9062 12.9271 12.9314 12.9409 12.9409 13.0082 13.0082 15.1487 15.1487 k = 0.0809 0.0807 0.0805 ( 2737 PWs) bands (ev): -45.9181 -45.9181 -22.6338 -22.6338 -21.9806 -21.9806 -21.9776 -21.9776 -14.3399 -14.3399 -6.4705 -6.4705 -5.8032 -5.8032 -5.7974 -5.7974 -0.8635 -0.8635 1.0157 1.0158 1.0977 1.0977 7.8494 7.8494 8.0553 8.0553 8.1298 8.1332 8.7645 8.7676 8.7676 8.7692 9.3244 9.3244 9.4851 9.4851 9.8387 9.8387 9.9236 9.9238 12.8947 12.8988 12.9086 12.9086 12.9837 12.9837 15.1021 15.1025 k = 0.0735 0.0733 0.0731 ( 2743 PWs) bands (ev): -45.9181 -45.9181 -22.6333 -22.6333 -21.9801 -21.9801 -21.9771 -21.9771 -14.3436 -14.3436 -6.4712 -6.4712 -5.8040 -5.8040 -5.7987 -5.7987 -0.8690 -0.8690 1.0157 1.0158 1.0840 1.0840 7.8813 7.8813 8.0779 8.0779 8.1465 8.1496 8.8046 8.8088 8.8094 8.8094 9.3139 9.3139 9.5419 9.5419 9.8577 9.8577 9.9402 9.9405 12.8641 12.8679 12.8781 12.8781 12.9614 12.9614 15.0589 15.0596 k = 0.0662 0.0660 0.0658 ( 2749 PWs) bands (ev): -45.9182 -45.9182 -22.6329 -22.6329 -21.9797 -21.9797 -21.9766 -21.9766 -14.3469 -14.3469 -6.4716 -6.4716 -5.8046 -5.8046 -5.7999 -5.7999 -0.8743 -0.8743 1.0154 1.0155 1.0712 1.0712 7.9087 7.9087 8.1004 8.1004 8.1616 8.1642 8.8430 8.8467 8.8492 8.8492 9.3043 9.3043 9.5944 9.5944 9.8758 9.8758 9.9558 9.9561 12.8355 12.8391 12.8495 12.8495 12.9413 12.9413 15.0188 15.0193 k = 0.0588 0.0587 0.0585 ( 2761 PWs) bands (ev): -45.9182 -45.9182 -22.6326 -22.6326 -21.9793 -21.9793 -21.9762 -21.9762 -14.3500 -14.3500 -6.4718 -6.4718 -5.8052 -5.8052 -5.8009 -5.8009 -0.8793 -0.8793 1.0151 1.0151 1.0596 1.0596 7.9317 7.9317 8.1222 8.1222 8.1749 8.1772 8.8793 8.8825 8.8866 8.8866 9.2957 9.2957 9.6422 9.6422 9.8929 9.8929 9.9701 9.9704 12.8092 12.8125 12.8231 12.8231 12.9234 12.9234 14.9825 14.9826 k = 0.0515 0.0513 0.0512 ( 2761 PWs) bands (ev): -45.9182 -45.9182 -22.6322 -22.6322 -21.9789 -21.9789 -21.9758 -21.9758 -14.3527 -14.3527 -6.4719 -6.4719 -5.8057 -5.8057 -5.8018 -5.8018 -0.8840 -0.8840 1.0146 1.0147 1.0490 1.0490 7.9509 7.9509 8.1431 8.1431 8.1866 8.1885 8.9129 8.9156 8.9210 8.9210 9.2881 9.2881 9.6847 9.6847 9.9090 9.9090 9.9830 9.9833 12.7853 12.7883 12.7991 12.7991 12.9077 12.9077 14.9499 14.9502 k = 0.0441 0.0440 0.0439 ( 2761 PWs) bands (ev): -45.9183 -45.9183 -22.6319 -22.6319 -21.9786 -21.9786 -21.9754 -21.9754 -14.3550 -14.3550 -6.4719 -6.4719 -5.8061 -5.8061 -5.8026 -5.8026 -0.8881 -0.8881 1.0141 1.0141 1.0398 1.0398 7.9665 7.9665 8.1624 8.1624 8.1966 8.1982 8.9432 8.9456 8.9520 8.9520 9.2814 9.2814 9.7218 9.7218 9.9237 9.9237 9.9943 9.9946 12.7641 12.7667 12.7777 12.7777 12.8942 12.8942 14.9214 14.9218 k = 0.0368 0.0367 0.0366 ( 2761 PWs) bands (ev): -45.9183 -45.9183 -22.6316 -22.6316 -21.9783 -21.9783 -21.9751 -21.9751 -14.3570 -14.3570 -6.4718 -6.4718 -5.8064 -5.8064 -5.8032 -5.8032 -0.8918 -0.8918 1.0136 1.0136 1.0318 1.0318 7.9790 7.9790 8.1797 8.1797 8.2050 8.2064 8.9699 8.9718 8.9791 8.9791 9.2758 9.2758 9.7531 9.7531 9.9371 9.9371 10.0041 10.0044 12.7457 12.7480 12.7591 12.7591 12.8828 12.8828 14.8969 14.8970 k = 0.0294 0.0293 0.0293 ( 2758 PWs) bands (ev): -45.9183 -45.9183 -22.6314 -22.6314 -21.9780 -21.9780 -21.9748 -21.9748 -14.3587 -14.3587 -6.4717 -6.4717 -5.8067 -5.8067 -5.8037 -5.8037 -0.8948 -0.8948 1.0131 1.0131 1.0252 1.0252 7.9888 7.9888 8.1943 8.1943 8.2119 8.2130 8.9924 8.9940 9.0019 9.0019 9.2712 9.2712 9.7785 9.7785 9.9487 9.9487 10.0122 10.0124 12.7305 12.7323 12.7436 12.7436 12.8736 12.8736 14.8768 14.8776 k = 0.0221 0.0220 0.0219 ( 2759 PWs) bands (ev): -45.9183 -45.9183 -22.6312 -22.6312 -21.9778 -21.9778 -21.9746 -21.9746 -14.3600 -14.3600 -6.4716 -6.4716 -5.8069 -5.8069 -5.8041 -5.8041 -0.8972 -0.8972 1.0127 1.0127 1.0200 1.0200 7.9961 7.9961 8.2061 8.2061 8.2173 8.2181 9.0105 9.0116 9.0201 9.0201 9.2676 9.2676 9.7981 9.7981 9.9583 9.9583 10.0185 10.0187 12.7184 12.7198 12.7313 12.7313 12.8665 12.8665 14.8608 14.8614 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9183 -45.9183 -22.6312 -22.6312 -21.9778 -21.9778 -21.9746 -21.9746 -14.3609 -14.3609 -6.4715 -6.4715 -5.8071 -5.8071 -5.8044 -5.8044 -0.8990 -0.8990 1.0124 1.0124 1.0162 1.0162 8.0011 8.0011 8.2147 8.2147 8.2211 8.2216 9.0236 9.0244 9.0333 9.0333 9.2651 9.2651 9.8118 9.8118 9.9655 9.9655 10.0231 10.0232 12.7098 12.7107 12.7225 12.7225 12.8614 12.8614 14.8494 14.8496 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6311 -21.9777 -21.9777 -21.9745 -21.9745 -14.3615 -14.3615 -6.4715 -6.4715 -5.8071 -5.8071 -5.8046 -5.8046 -0.9001 -0.9001 1.0122 1.0122 1.0140 1.0140 8.0041 8.0041 8.2199 8.2199 8.2235 8.2237 9.0317 9.0321 9.0413 9.0413 9.2635 9.2635 9.8200 9.8200 9.9700 9.9700 10.0258 10.0259 12.7046 12.7051 12.7171 12.7171 12.8584 12.8584 14.8425 14.8427 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6311 -21.9777 -21.9777 -21.9745 -21.9745 -14.3617 -14.3617 -6.4715 -6.4715 -5.8072 -5.8072 -5.8046 -5.8046 -0.9004 -0.9004 1.0122 1.0122 1.0132 1.0132 8.0051 8.0051 8.2217 8.2217 8.2243 8.2243 9.0345 9.0345 9.0440 9.0440 9.2630 9.2630 9.8227 9.8227 9.9715 9.9715 10.0268 10.0268 12.7031 12.7031 12.7153 12.7153 12.8574 12.8574 14.8404 14.8410 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6311 -21.9777 -21.9777 -21.9745 -21.9745 -14.3617 -14.3617 -6.4715 -6.4715 -5.8072 -5.8072 -5.8046 -5.8046 -0.9004 -0.9004 1.0122 1.0122 1.0132 1.0132 8.0051 8.0051 8.2217 8.2217 8.2243 8.2243 9.0345 9.0345 9.0440 9.0440 9.2630 9.2630 9.8227 9.8227 9.9715 9.9715 10.0268 10.0268 12.7031 12.7031 12.7153 12.7153 12.8574 12.8574 14.8403 14.8410 k = 0.0089-0.0000-0.0089 ( 2769 PWs) bands (ev): -45.9183 -45.9183 -22.6311 -22.6310 -21.9776 -21.9776 -21.9745 -21.9744 -14.3615 -14.3615 -6.4716 -6.4713 -5.8073 -5.8069 -5.8046 -5.8046 -0.9001 -0.9000 1.0126 1.0127 1.0133 1.0139 8.0019 8.0061 8.2173 8.2213 8.2237 8.2242 9.0328 9.0329 9.0412 9.0435 9.2604 9.2621 9.8046 9.8356 9.9552 9.9841 10.0274 10.0280 12.7040 12.7044 12.7154 12.7180 12.8574 12.8592 14.8422 14.8435 k = 0.0178-0.0000-0.0179 ( 2763 PWs) bands (ev): -45.9183 -45.9183 -22.6312 -22.6310 -21.9777 -21.9777 -21.9746 -21.9744 -14.3609 -14.3609 -6.4719 -6.4712 -5.8075 -5.8066 -5.8045 -5.8044 -0.8990 -0.8989 1.0131 1.0134 1.0149 1.0159 7.9963 8.0049 8.2088 8.2175 8.2209 8.2227 9.0272 9.0277 9.0356 9.0401 9.2544 9.2578 9.7822 9.8413 9.9384 9.9904 10.0286 10.0325 12.7052 12.7080 12.7202 12.7235 12.8593 12.8628 14.8452 14.8459 k = 0.0267-0.0001-0.0268 ( 2761 PWs) bands (ev): -45.9183 -45.9183 -22.6314 -22.6311 -21.9778 -21.9778 -21.9748 -21.9745 -14.3600 -14.3600 -6.4722 -6.4712 -5.8075 -5.8062 -5.8043 -5.8042 -0.8973 -0.8971 1.0137 1.0140 1.0183 1.0196 7.9884 8.0014 8.1966 8.2107 8.2160 8.2195 9.0167 9.0182 9.0281 9.0342 9.2456 9.2505 9.7563 9.8365 9.9249 9.9906 10.0295 10.0396 12.7060 12.7128 12.7300 12.7332 12.8632 12.8682 14.8508 14.8520 k = 0.0356-0.0001-0.0357 ( 2759 PWs) bands (ev): -45.9183 -45.9183 -22.6316 -22.6312 -21.9781 -21.9780 -21.9750 -21.9746 -14.3587 -14.3587 -6.4726 -6.4713 -5.8075 -5.8057 -5.8040 -5.8038 -0.8949 -0.8946 1.0143 1.0148 1.0231 1.0247 7.9778 7.9954 8.1808 8.2004 8.2094 8.2146 9.0013 9.0040 9.0185 9.0257 9.2347 9.2412 9.7273 9.8196 9.9169 9.9868 10.0298 10.0467 12.7073 12.7179 12.7441 12.7481 12.8690 12.8754 14.8586 14.8601 k = 0.0445-0.0001-0.0446 ( 2763 PWs) bands (ev): -45.9183 -45.9183 -22.6318 -22.6314 -21.9784 -21.9783 -21.9752 -21.9748 -14.3571 -14.3570 -6.4731 -6.4714 -5.8074 -5.8051 -5.8036 -5.8032 -0.8918 -0.8914 1.0152 1.0157 1.0293 1.0311 7.9645 7.9866 8.1615 8.1867 8.2014 8.2082 8.9815 8.9852 9.0064 9.0143 9.2228 9.2307 9.6953 9.7926 9.9126 9.9805 10.0291 10.0521 12.7096 12.7235 12.7623 12.7675 12.8770 12.8844 14.8684 14.8704 k = 0.0534-0.0001-0.0536 ( 2757 PWs) bands (ev): -45.9183 -45.9183 -22.6321 -22.6316 -21.9787 -21.9785 -21.9755 -21.9750 -14.3551 -14.3550 -6.4736 -6.4716 -5.8073 -5.8044 -5.8032 -5.8025 -0.8881 -0.8876 1.0162 1.0169 1.0367 1.0388 7.9480 7.9748 8.1393 8.1699 8.1921 8.2004 8.9573 8.9619 8.9913 8.9995 9.2109 9.2200 9.6606 9.7589 9.9089 9.9723 10.0271 10.0549 12.7134 12.7299 12.7844 12.7910 12.8870 12.8954 14.8802 14.8825 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9182 -45.9182 -22.6324 -22.6318 -21.9792 -21.9789 -21.9757 -21.9752 -14.3528 -14.3527 -6.4742 -6.4719 -5.8071 -5.8035 -5.8026 -5.8015 -0.8839 -0.8832 1.0175 1.0182 1.0454 1.0476 7.9283 7.9594 8.1145 8.1501 8.1816 8.1911 8.9291 8.9344 8.9730 8.9812 9.2000 9.2098 9.6236 9.7205 9.9042 9.9625 10.0236 10.0549 12.7189 12.7375 12.8102 12.8180 12.8992 12.9085 14.8938 14.8965 k = 0.0712-0.0002-0.0714 ( 2747 PWs) bands (ev): -45.9182 -45.9182 -22.6328 -22.6321 -21.9797 -21.9793 -21.9760 -21.9754 -14.3501 -14.3500 -6.4748 -6.4722 -5.8068 -5.8025 -5.8019 -5.8003 -0.8792 -0.8783 1.0189 1.0198 1.0552 1.0575 7.9049 7.9400 8.0877 8.1277 8.1702 8.1806 8.8968 8.9031 8.9515 8.9593 9.1905 9.2008 9.5843 9.6786 9.8978 9.9512 10.0183 10.0520 12.7264 12.7466 12.8390 12.8482 12.9137 12.9238 14.9090 14.9120 k = 0.0801-0.0002-0.0804 ( 2743 PWs) bands (ev): -45.9182 -45.9182 -22.6332 -22.6324 -21.9803 -21.9798 -21.9763 -21.9757 -14.3471 -14.3470 -6.4755 -6.4726 -5.8064 -5.8017 -5.8008 -5.7989 -0.8741 -0.8729 1.0206 1.0215 1.0660 1.0684 7.8777 7.9159 8.0594 8.1029 8.1580 8.1689 8.8609 8.8684 8.9269 8.9342 9.1829 9.1932 9.5429 9.6338 9.8895 9.9385 10.0113 10.0462 12.7360 12.7576 12.8706 12.8813 12.9305 12.9417 14.9257 14.9290 k = 0.0891-0.0002-0.0893 ( 2747 PWs) bands (ev): -45.9182 -45.9182 -22.6337 -22.6329 -21.9811 -21.9805 -21.9766 -21.9760 -14.3438 -14.3437 -6.4762 -6.4730 -5.8060 -5.8009 -5.7993 -5.7971 -0.8686 -0.8671 1.0224 1.0234 1.0776 1.0801 7.8466 7.8868 8.0299 8.0756 8.1451 8.1564 8.8217 8.8307 8.8997 8.9064 9.1770 9.1871 9.4999 9.5866 9.8795 9.9244 10.0023 10.0377 12.7478 12.7706 12.9043 12.9166 12.9497 12.9624 14.9436 14.9472 k = 0.0980-0.0003-0.0982 ( 2749 PWs) bands (ev): -45.9181 -45.9181 -22.6342 -22.6333 -21.9819 -21.9812 -21.9770 -21.9763 -14.3402 -14.3401 -6.4769 -6.4734 -5.8055 -5.8001 -5.7974 -5.7950 -0.8628 -0.8609 1.0243 1.0255 1.0900 1.0925 7.8116 7.8527 7.9995 8.0459 8.1319 8.1431 8.7797 8.7904 8.8702 8.8764 9.1726 9.1823 9.4554 9.5373 9.8677 9.9093 9.9915 10.0267 12.7621 12.7857 12.9391 12.9531 12.9722 12.9867 14.9626 14.9665 k = 0.1069-0.0003-0.1071 ( 2747 PWs) bands (ev): -45.9181 -45.9181 -22.6347 -22.6338 -21.9828 -21.9820 -21.9773 -21.9766 -14.3364 -14.3363 -6.4776 -6.4738 -5.8050 -5.7993 -5.7952 -5.7926 -0.8568 -0.8544 1.0265 1.0277 1.1030 1.1056 7.7730 7.8138 7.9680 8.0138 8.1184 8.1294 8.7353 8.7479 8.8386 8.8447 9.1695 9.1785 9.4099 9.4865 9.8545 9.8930 9.9790 10.0135 12.7787 12.8030 12.9738 12.9868 13.0016 13.0158 14.9825 14.9867 k = 0.1158-0.0003-0.1161 ( 2747 PWs) bands (ev): -45.9180 -45.9180 -22.6353 -22.6343 -21.9838 -21.9828 -21.9777 -21.9769 -14.3323 -14.3321 -6.4782 -6.4742 -5.8044 -5.7984 -5.7926 -5.7898 -0.8507 -0.8478 1.0288 1.0301 1.1164 1.1191 7.7310 7.7706 7.9350 7.9793 8.1048 8.1153 8.6891 8.7036 8.8056 8.8117 9.1670 9.1751 9.3641 9.4346 9.8398 9.8758 9.9650 9.9985 12.7979 12.8227 13.0071 13.0152 13.0398 13.0506 15.0032 15.0077 k = 0.1247-0.0003-0.1250 ( 2753 PWs) bands (ev): -45.9180 -45.9180 -22.6360 -22.6349 -21.9849 -21.9838 -21.9780 -21.9772 -14.3279 -14.3278 -6.4788 -6.4745 -5.8037 -5.7975 -5.7896 -5.7866 -0.8444 -0.8409 1.0312 1.0327 1.1299 1.1329 7.6860 7.7239 7.9003 7.9424 8.0911 8.1011 8.6415 8.6578 8.7714 8.7776 9.1646 9.1711 9.3192 9.3827 9.8240 9.8578 9.9498 9.9822 12.8194 12.8446 13.0392 13.0435 13.0815 13.0905 15.0244 15.0291 k = 0.1336-0.0003-0.1339 ( 2746 PWs) bands (ev): -45.9180 -45.9180 -22.6366 -22.6354 -21.9860 -21.9847 -21.9784 -21.9775 -14.3233 -14.3232 -6.4792 -6.4747 -5.8030 -5.7965 -5.7863 -5.7830 -0.8381 -0.8340 1.0337 1.0354 1.1435 1.1470 7.6384 7.6742 7.8634 7.9030 8.0773 8.0868 8.5927 8.6106 8.7364 8.7427 9.1605 9.1645 9.2778 9.3321 9.8069 9.8389 9.9338 9.9650 12.8434 12.8689 13.0710 13.0733 13.1251 13.1339 15.0460 15.0510 k = 0.1425-0.0004-0.1429 ( 2746 PWs) bands (ev): -45.9179 -45.9179 -22.6373 -22.6360 -21.9871 -21.9857 -21.9788 -21.9778 -14.3185 -14.3184 -6.4795 -6.4747 -5.8023 -5.7955 -5.7825 -5.7791 -0.8318 -0.8270 1.0363 1.0382 1.1569 1.1612 7.5886 7.6222 7.8243 7.8612 8.0633 8.0725 8.5430 8.5624 8.7008 8.7071 9.1475 9.1546 9.2452 9.2859 9.7886 9.8192 9.9174 9.9476 12.8697 12.8954 13.1033 13.1051 13.1702 13.1792 15.0679 15.0731 k = 0.1514-0.0004-0.1518 ( 2738 PWs) bands (ev): -45.9179 -45.9179 -22.6379 -22.6366 -21.9883 -21.9868 -21.9791 -21.9781 -14.3135 -14.3134 -6.4796 -6.4746 -5.8015 -5.7944 -5.7784 -5.7748 -0.8256 -0.8201 1.0390 1.0412 1.1699 1.1752 7.5371 7.5685 7.7830 7.8171 8.0492 8.0582 8.4925 8.5132 8.6649 8.6710 9.1191 9.1374 9.2269 9.2501 9.7691 9.7984 9.9014 9.9306 12.8982 12.9240 13.1365 13.1387 13.2165 13.2259 15.0898 15.0953 k = 0.1603-0.0004-0.1607 ( 2738 PWs) bands (ev): -45.9178 -45.9178 -22.6387 -22.6373 -21.9896 -21.9880 -21.9795 -21.9785 -14.3084 -14.3082 -6.4795 -6.4743 -5.8006 -5.7933 -5.7739 -5.7701 -0.8196 -0.8133 1.0418 1.0443 1.1825 1.1889 7.4842 7.5136 7.7395 7.7709 8.0349 8.0439 8.4414 8.4629 8.6289 8.6346 9.0800 9.1059 9.2202 9.2303 9.7483 9.7763 9.8862 9.9145 12.9288 12.9547 13.1709 13.1737 13.2637 13.2734 15.1117 15.1174 k = 0.1692-0.0004-0.1696 ( 2734 PWs) bands (ev): -45.9178 -45.9178 -22.6394 -22.6380 -21.9909 -21.9892 -21.9799 -21.9788 -14.3031 -14.3030 -6.4790 -6.4737 -5.7997 -5.7922 -5.7691 -5.7651 -0.8138 -0.8067 1.0446 1.0475 1.1944 1.2021 7.4304 7.4578 7.6939 7.7228 8.0203 8.0296 8.3897 8.4116 8.5930 8.5981 9.0364 9.0634 9.2194 9.2237 9.7260 9.7527 9.8727 9.8999 12.9614 12.9873 13.2066 13.2100 13.3116 13.3217 15.1334 15.1393 k = 0.1781-0.0005-0.1786 ( 2738 PWs) bands (ev): -45.9177 -45.9177 -22.6402 -22.6388 -21.9922 -21.9904 -21.9803 -21.9792 -14.2977 -14.2976 -6.4783 -6.4727 -5.7987 -5.7910 -5.7639 -5.7599 -0.8082 -0.8002 1.0474 1.0508 1.2054 1.2147 7.3761 7.4016 7.6465 7.6730 8.0053 8.0152 8.3373 8.3591 8.5571 8.5615 8.9920 9.0166 9.2211 9.2243 9.7022 9.7273 9.8614 9.8873 12.9958 13.0218 13.2434 13.2473 13.3601 13.3704 15.1548 15.1610 k = 0.1870-0.0005-0.1875 ( 2740 PWs) bands (ev): -45.9177 -45.9177 -22.6410 -22.6395 -21.9936 -21.9917 -21.9807 -21.9796 -14.2922 -14.2921 -6.4771 -6.4713 -5.7977 -5.7898 -5.7585 -5.7543 -0.8029 -0.7940 1.0502 1.0541 1.2156 1.2266 7.3215 7.3452 7.5974 7.6217 7.9900 8.0006 8.2841 8.3054 8.5215 8.5250 8.9485 8.9695 9.2246 9.2283 9.6768 9.7001 9.8526 9.8769 13.0320 13.0579 13.2812 13.2855 13.4089 13.4194 15.1759 15.1822 k = 0.1959-0.0005-0.1964 ( 2740 PWs) bands (ev): -45.9176 -45.9176 -22.6418 -22.6403 -21.9950 -21.9931 -21.9811 -21.9800 -14.2866 -14.2865 -6.4754 -6.4695 -5.7967 -5.7886 -5.7529 -5.7486 -0.7979 -0.7881 1.0529 1.0575 1.2247 1.2375 7.2670 7.2891 7.5470 7.5692 7.9742 7.9858 8.2302 8.2503 8.4861 8.4886 8.9071 8.9242 9.2296 9.2338 9.6500 9.6712 9.8465 9.8690 13.0697 13.0955 13.3199 13.3245 13.4579 13.4686 15.1964 15.2029 k = 0.2048-0.0005-0.2054 ( 2736 PWs) bands (ev): -45.9176 -45.9176 -22.6426 -22.6411 -21.9964 -21.9944 -21.9815 -21.9803 -14.2810 -14.2809 -6.4732 -6.4672 -5.7956 -5.7873 -5.7471 -5.7426 -0.7933 -0.7826 1.0555 1.0608 1.2326 1.2475 7.2128 7.2334 7.4955 7.5157 7.9577 7.9708 8.1756 8.1938 8.4508 8.4524 8.8688 8.8820 9.2357 9.2404 9.6219 9.6410 9.8431 9.8638 13.1088 13.1346 13.3591 13.3641 13.5070 13.5179 15.2163 15.2231 k = 0.2137-0.0006-0.2143 ( 2740 PWs) bands (ev): -45.9175 -45.9175 -22.6435 -22.6419 -21.9978 -21.9958 -21.9819 -21.9807 -14.2753 -14.2752 -6.4705 -6.4643 -5.7945 -5.7860 -5.7412 -5.7366 -0.7891 -0.7774 1.0580 1.0641 1.2393 1.2563 7.1592 7.1784 7.4431 7.4615 7.9401 7.9556 8.1206 8.1358 8.4157 8.4165 8.8341 8.8440 9.2425 9.2477 9.5927 9.6095 9.8423 9.8611 13.1492 13.1748 13.3988 13.4042 13.5562 13.5671 15.2356 15.2425 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9174 -45.9174 -22.6443 -22.6427 -21.9993 -21.9972 -21.9823 -21.9811 -14.2696 -14.2695 -6.4671 -6.4609 -5.7933 -5.7847 -5.7352 -5.7306 -0.7853 -0.7726 1.0603 1.0673 1.2448 1.2641 7.1062 7.1241 7.3901 7.4068 7.9208 7.9400 8.0657 8.0764 8.3805 8.3810 8.8038 8.8108 9.2498 9.2556 9.5625 9.5773 9.8442 9.8610 13.1906 13.2162 13.4387 13.4444 13.6052 13.6162 15.2542 15.2613 k = 0.2315-0.0006-0.2321 ( 2734 PWs) bands (ev): -45.9174 -45.9174 -22.6451 -22.6435 -22.0007 -21.9986 -21.9827 -21.9815 -14.2640 -14.2638 -6.4631 -6.4567 -5.7921 -5.7834 -5.7292 -5.7245 -0.7819 -0.7683 1.0624 1.0704 1.2490 1.2706 7.0542 7.0709 7.3367 7.3518 7.8982 7.9241 8.0122 8.0162 8.3451 8.3459 8.7782 8.7830 9.2576 9.2639 9.5317 9.5445 9.8484 9.8634 13.2330 13.2585 13.4788 13.4848 13.6540 13.6650 15.2719 15.2792 k = 0.2404-0.0006-0.2411 ( 2734 PWs) bands (ev): -45.9173 -45.9173 -22.6460 -22.6444 -22.0022 -22.0000 -21.9831 -21.9819 -14.2583 -14.2582 -6.4584 -6.4519 -5.7909 -5.7821 -5.7234 -5.7186 -0.7790 -0.7644 1.0641 1.0731 1.2520 1.2761 7.0031 7.0188 7.2831 7.2968 7.8693 7.9070 7.9545 7.9649 8.3098 8.3109 8.7577 8.7610 9.2656 9.2724 9.5004 9.5115 9.8549 9.8681 13.2762 13.3015 13.5188 13.5251 13.7025 13.7135 15.2888 15.2963 k = 0.2493-0.0007-0.2500 ( 2730 PWs) bands (ev): -45.9173 -45.9173 -22.6468 -22.6452 -22.0036 -22.0015 -21.9835 -21.9822 -14.2527 -14.2526 -6.4529 -6.4463 -5.7897 -5.7807 -5.7176 -5.7128 -0.7765 -0.7611 1.0655 1.0756 1.2538 1.2804 6.9531 6.9679 7.2296 7.2419 7.8299 7.8791 7.9032 7.9261 8.2747 8.2759 8.7426 8.7450 9.2737 9.2811 9.4690 9.4785 9.8635 9.8751 13.3200 13.3451 13.5587 13.5652 13.7506 13.7615 15.3048 15.3124 k = 0.2583-0.0007-0.2589 ( 2734 PWs) bands (ev): -45.9172 -45.9172 -22.6477 -22.6461 -22.0051 -22.0029 -21.9839 -21.9826 -14.2471 -14.2470 -6.4466 -6.4400 -5.7884 -5.7794 -5.7121 -5.7072 -0.7745 -0.7582 1.0664 1.0777 1.2546 1.2836 6.9043 6.9182 7.1763 7.1874 7.7798 7.8212 7.8807 7.8973 8.2399 8.2410 8.7327 8.7347 9.2816 9.2898 9.4377 9.4462 9.8741 9.8840 13.3643 13.3892 13.5981 13.6050 13.7982 13.8091 15.3199 15.3276 k = 0.2672-0.0007-0.2679 ( 2732 PWs) bands (ev): -45.9172 -45.9172 -22.6485 -22.6469 -22.0065 -22.0044 -21.9842 -21.9830 -14.2417 -14.2416 -6.4395 -6.4329 -5.7872 -5.7781 -5.7069 -5.7019 -0.7729 -0.7558 1.0668 1.0792 1.2545 1.2859 6.8568 6.8698 7.1235 7.1334 7.7232 7.7573 7.8634 7.8748 8.2055 8.2064 8.7280 8.7301 9.2890 9.2980 9.4069 9.4153 9.8865 9.8949 13.4089 13.4337 13.6371 13.6442 13.8452 13.8560 15.3340 15.3419 k = 0.2761-0.0007-0.2768 ( 2730 PWs) bands (ev): -45.9171 -45.9171 -22.6493 -22.6477 -22.0079 -22.0058 -21.9846 -21.9834 -14.2363 -14.2362 -6.4317 -6.4249 -5.7859 -5.7767 -5.7020 -5.6970 -0.7718 -0.7539 1.0666 1.0800 1.2536 1.2873 6.8106 6.8229 7.0713 7.0801 7.6634 7.6925 7.8465 7.8558 8.1715 8.1721 8.7284 8.7307 9.2948 9.3051 9.3775 9.3874 9.9004 9.9075 13.4537 13.4782 13.6755 13.6828 13.8916 13.9022 15.3471 15.3551 k = 0.2850-0.0007-0.2857 ( 2724 PWs) bands (ev): -45.9170 -45.9170 -22.6501 -22.6485 -22.0093 -22.0072 -21.9850 -21.9837 -14.2310 -14.2309 -6.4229 -6.4162 -5.7846 -5.7754 -5.6976 -5.6925 -0.7711 -0.7526 1.0657 1.0800 1.2523 1.2880 6.7658 6.7773 7.0199 7.0277 7.6021 7.6275 7.8297 7.8387 8.1381 8.1383 8.7332 8.7361 9.2958 9.3089 9.3516 9.3660 9.9158 9.9216 13.4985 13.5228 13.7132 13.7207 13.9372 13.9476 15.3592 15.3673 k = 0.2939-0.0008-0.2946 ( 2724 PWs) bands (ev): -45.9170 -45.9170 -22.6510 -22.6494 -22.0107 -22.0086 -21.9853 -21.9841 -14.2259 -14.2258 -6.4134 -6.4066 -5.7834 -5.7740 -5.6936 -5.6885 -0.7709 -0.7517 1.0641 1.0791 1.2508 1.2882 6.7223 6.7332 6.9695 6.9764 7.5403 7.5627 7.8132 7.8226 8.1051 8.1054 8.7422 8.7458 9.2862 9.3013 9.3380 9.3567 9.9324 9.9370 13.5432 13.5671 13.7501 13.7577 13.9819 13.9921 15.3703 15.3785 k = 0.3028-0.0008-0.3036 ( 2720 PWs) bands (ev): -45.9169 -45.9169 -22.6517 -22.6502 -22.0120 -22.0099 -21.9857 -21.9845 -14.2209 -14.2208 -6.4030 -6.3962 -5.7821 -5.7727 -5.6902 -5.6851 -0.7711 -0.7514 1.0616 1.0771 1.2492 1.2880 6.6803 6.6906 6.9203 6.9262 7.4786 7.4986 7.7971 7.8072 8.0727 8.0734 8.7545 8.7591 9.2670 9.2806 9.3397 9.3583 9.9501 9.9536 13.5876 13.6112 13.7859 13.7937 14.0256 14.0356 15.3804 15.3887 k = 0.3117-0.0008-0.3125 ( 2720 PWs) bands (ev): -45.9169 -45.9169 -22.6525 -22.6510 -22.0134 -22.0113 -21.9860 -21.9848 -14.2161 -14.2160 -6.3919 -6.3850 -5.7809 -5.7715 -5.6875 -5.6823 -0.7716 -0.7515 1.0582 1.0740 1.2478 1.2875 6.6397 6.6494 6.8724 6.8774 7.4175 7.4353 7.7815 7.7924 8.0411 8.0422 8.7694 8.7751 9.2445 9.2576 9.3463 9.3649 9.9685 9.9712 13.6315 13.6548 13.8208 13.8287 14.0682 14.0780 15.3895 15.3978 k = 0.3206-0.0008-0.3214 ( 2718 PWs) bands (ev): -45.9168 -45.9168 -22.6533 -22.6517 -22.0146 -22.0126 -21.9863 -21.9851 -14.2114 -14.2113 -6.3799 -6.3731 -5.7797 -5.7702 -5.6854 -5.6802 -0.7726 -0.7521 1.0540 1.0696 1.2468 1.2870 6.6006 6.6096 6.8259 6.8301 7.3574 7.3732 7.7666 7.7781 8.0105 8.0120 8.7861 8.7928 9.2226 9.2363 9.3543 9.3735 9.9876 9.9896 13.6749 13.6978 13.8546 13.8626 14.1097 14.1191 15.3975 15.4059 k = 0.3295-0.0009-0.3304 ( 2722 PWs) bands (ev): -45.9168 -45.9168 -22.6540 -22.6525 -22.0159 -22.0139 -21.9866 -21.9855 -14.2069 -14.2069 -6.3672 -6.3604 -5.7785 -5.7690 -5.6840 -5.6788 -0.7738 -0.7532 1.0489 1.0640 1.2463 1.2864 6.5630 6.5714 6.7811 6.7845 7.2985 7.3125 7.7523 7.7642 7.9808 7.9828 8.8032 8.8111 9.2033 9.2182 9.3628 9.3830 10.0070 10.0087 13.7175 13.7401 13.8871 13.8953 14.1499 14.1590 15.4046 15.4130 k = 0.3384-0.0009-0.3393 ( 2718 PWs) bands (ev): -45.9167 -45.9167 -22.6547 -22.6533 -22.0171 -22.0152 -21.9869 -21.9858 -14.2026 -14.2026 -6.3538 -6.3470 -5.7773 -5.7677 -5.6834 -5.6781 -0.7754 -0.7547 1.0429 1.0573 1.2464 1.2860 6.5268 6.5346 6.7381 6.7407 7.2411 7.2536 7.7387 7.7509 7.9523 7.9546 8.8195 8.8284 9.1882 9.2047 9.3715 9.3929 10.0266 10.0284 13.7592 13.7814 13.9183 13.9266 14.1887 14.1974 15.4107 15.4191 k = 0.3473-0.0009-0.3482 ( 2722 PWs) bands (ev): -45.9167 -45.9167 -22.6554 -22.6540 -22.0183 -22.0164 -21.9872 -21.9862 -14.1985 -14.1985 -6.3397 -6.3330 -5.7762 -5.7666 -5.6835 -5.6782 -0.7772 -0.7565 1.0363 1.0496 1.2471 1.2857 6.4922 6.4993 6.6971 6.6988 7.1854 7.1965 7.7258 7.7381 7.9249 7.9276 8.8334 8.8432 9.1786 9.1970 9.3802 9.4031 10.0462 10.0484 13.7999 13.8217 13.9483 13.9567 14.2259 14.2343 15.4159 15.4243 k = 0.3562-0.0009-0.3571 ( 2720 PWs) bands (ev): -45.9166 -45.9166 -22.6560 -22.6547 -22.0194 -22.0175 -21.9875 -21.9865 -14.1946 -14.1946 -6.3251 -6.3184 -5.7751 -5.7654 -5.6845 -5.6791 -0.7792 -0.7587 1.0289 1.0411 1.2484 1.2856 6.4590 6.4656 6.6581 6.6590 7.1317 7.1414 7.7137 7.7259 7.8986 7.9016 8.8436 8.8537 9.1759 9.1961 9.3889 9.4135 10.0658 10.0684 13.8394 13.8607 13.9768 13.9853 14.2616 14.2695 15.4203 15.4285 k = 0.3651-0.0010-0.3661 ( 2718 PWs) bands (ev): -45.9166 -45.9166 -22.6566 -22.6554 -22.0204 -22.0187 -21.9877 -21.9867 -14.1909 -14.1909 -6.3100 -6.3033 -5.7741 -5.7643 -5.6863 -5.6808 -0.7813 -0.7612 1.0211 1.0320 1.2502 1.2858 6.4274 6.4333 6.6214 6.6215 7.0802 7.0887 7.7023 7.7143 7.8735 7.8769 8.8491 8.8591 9.1805 9.2024 9.3975 9.4240 10.0852 10.0882 13.8776 13.8984 14.0038 14.0125 14.2956 14.3031 15.4238 15.4319 k = 0.3740-0.0010-0.3750 ( 2716 PWs) bands (ev): -45.9165 -45.9165 -22.6572 -22.6560 -22.0214 -22.0197 -21.9879 -21.9870 -14.1874 -14.1874 -6.2944 -6.2879 -5.7731 -5.7633 -5.6888 -5.6832 -0.7836 -0.7640 1.0128 1.0224 1.2524 1.2861 6.3973 6.4026 6.5863 6.5870 7.0310 7.0384 7.6918 7.7035 7.8497 7.8533 8.8498 8.8590 9.1922 9.2158 9.4062 9.4347 10.1043 10.1077 13.9143 13.9346 14.0294 14.0381 14.3277 14.3348 15.4265 15.4345 k = 0.3829-0.0010-0.3839 ( 2722 PWs) bands (ev): -45.9165 -45.9165 -22.6578 -22.6566 -22.0224 -22.0208 -21.9882 -21.9873 -14.1842 -14.1841 -6.2786 -6.2722 -5.7722 -5.7623 -5.6922 -5.6864 -0.7860 -0.7670 1.0043 1.0127 1.2550 1.2866 6.3688 6.3734 6.5536 6.5550 6.9843 6.9906 7.6822 7.6934 7.8272 7.8310 8.8462 8.8544 9.2096 9.2350 9.4148 9.4455 10.1229 10.1266 13.9494 13.9691 14.0533 14.0622 14.3580 14.3646 15.4285 15.4363 k = 0.3918-0.0010-0.3929 ( 2724 PWs) bands (ev): -45.9165 -45.9165 -22.6583 -22.6572 -22.0232 -22.0218 -21.9884 -21.9876 -14.1812 -14.1811 -6.2625 -6.2563 -5.7714 -5.7613 -5.6962 -5.6903 -0.7883 -0.7701 0.9958 1.0030 1.2577 1.2872 6.3418 6.3459 6.5234 6.5255 6.9403 6.9456 7.6734 7.6841 7.8059 7.8099 8.8394 8.8464 9.2312 9.2585 9.4234 9.4566 10.1409 10.1448 13.9827 14.0019 14.0757 14.0848 14.3863 14.3925 15.4299 15.4374 k = 0.4007-0.0010-0.4018 ( 2724 PWs) bands (ev): -45.9164 -45.9164 -22.6588 -22.6578 -22.0240 -22.0227 -21.9885 -21.9878 -14.1784 -14.1783 -6.2465 -6.2404 -5.7706 -5.7604 -5.7010 -5.6948 -0.7906 -0.7733 0.9873 0.9934 1.2607 1.2879 6.3164 6.3200 6.4959 6.4985 6.8991 6.9036 7.6656 7.6756 7.7859 7.7900 8.8304 8.8362 9.2550 9.2844 9.4324 9.4679 10.1581 10.1622 14.0141 14.0326 14.0964 14.1057 14.4126 14.4183 15.4307 15.4379 k = 0.4096-0.0011-0.4107 ( 2724 PWs) bands (ev): -45.9164 -45.9164 -22.6592 -22.6583 -22.0248 -22.0235 -21.9887 -21.9880 -14.1758 -14.1758 -6.2305 -6.2247 -5.7700 -5.7595 -5.7063 -5.6998 -0.7929 -0.7766 0.9790 0.9842 1.2637 1.2886 6.2928 6.2959 6.4710 6.4741 6.8608 6.8645 7.6588 7.6681 7.7671 7.7714 8.8202 8.8250 9.2795 9.3110 9.4418 9.4795 10.1744 10.1785 14.0434 14.0613 14.1155 14.1249 14.4368 14.4420 15.4311 15.4379 k = 0.4185-0.0011-0.4196 ( 2730 PWs) bands (ev): -45.9164 -45.9164 -22.6596 -22.6588 -22.0255 -22.0243 -21.9889 -21.9883 -14.1735 -14.1734 -6.2149 -6.2093 -5.7695 -5.7587 -5.7121 -5.7052 -0.7950 -0.7799 0.9711 0.9755 1.2668 1.2893 6.2709 6.2736 6.4488 6.4522 6.8256 6.8286 7.6529 7.6616 7.7497 7.7540 8.8095 8.8134 9.3035 9.3366 9.4522 9.4914 10.1897 10.1937 14.0705 14.0878 14.1328 14.1425 14.4588 14.4635 15.4310 15.4374 k = 0.4275-0.0011-0.4286 ( 2724 PWs) bands (ev): -45.9163 -45.9163 -22.6600 -22.6592 -22.0260 -22.0250 -21.9890 -21.9884 -14.1714 -14.1713 -6.1997 -6.1944 -5.7690 -5.7580 -5.7183 -5.7109 -0.7969 -0.7831 0.9637 0.9674 1.2698 1.2899 6.2509 6.2532 6.4293 6.4329 6.7936 6.7960 7.6481 7.6560 7.7336 7.7379 8.7989 8.8021 9.3260 9.3597 9.4641 9.5036 10.2038 10.2077 14.0952 14.1119 14.1484 14.1584 14.4787 14.4828 15.4307 15.4366 k = 0.4364-0.0011-0.4375 ( 2724 PWs) bands (ev): -45.9163 -45.9163 -22.6603 -22.6596 -22.0266 -22.0256 -21.9891 -21.9886 -14.1695 -14.1695 -6.1852 -6.1804 -5.7687 -5.7574 -5.7246 -5.7167 -0.7985 -0.7862 0.9568 0.9600 1.2728 1.2904 6.2329 6.2349 6.4124 6.4160 6.7649 6.7667 7.6443 7.6515 7.7188 7.7231 8.7889 8.7914 9.3463 9.3790 9.4776 9.5159 10.2166 10.2203 14.1175 14.1335 14.1624 14.1726 14.4963 14.4999 15.4302 15.4356 k = 0.4453-0.0012-0.4464 ( 2720 PWs) bands (ev): -45.9163 -45.9163 -22.6605 -22.6599 -22.0270 -22.0262 -21.9892 -21.9888 -14.1679 -14.1679 -6.1718 -6.1673 -5.7685 -5.7568 -5.7308 -5.7224 -0.8000 -0.7891 0.9507 0.9534 1.2756 1.2908 6.2170 6.2187 6.3980 6.4015 6.7396 6.7410 7.6417 7.6482 7.7053 7.7095 8.7798 8.7817 9.3640 9.3940 9.4928 9.5278 10.2280 10.2314 14.1371 14.1523 14.1746 14.1850 14.5116 14.5147 15.4296 15.4343 k = 0.4542-0.0012-0.4554 ( 2722 PWs) bands (ev): -45.9163 -45.9163 -22.6607 -22.6602 -22.0274 -22.0267 -21.9893 -21.9889 -14.1665 -14.1665 -6.1595 -6.1556 -5.7684 -5.7565 -5.7367 -5.7277 -0.8011 -0.7918 0.9454 0.9476 1.2782 1.2910 6.2033 6.2047 6.3861 6.3893 6.7179 6.7189 7.6401 7.6459 7.6932 7.6973 8.7717 8.7732 9.3789 9.4048 9.5088 9.5390 10.2380 10.2410 14.1541 14.1682 14.1854 14.1955 14.5247 14.5273 15.4289 15.4330 k = 0.4631-0.0012-0.4643 ( 2722 PWs) bands (ev): -45.9163 -45.9163 -22.6609 -22.6605 -22.0277 -22.0271 -21.9893 -21.9890 -14.1654 -14.1654 -6.1488 -6.1455 -5.7683 -5.7566 -5.7418 -5.7326 -0.8019 -0.7943 0.9410 0.9427 1.2807 1.2909 6.1918 6.1930 6.3765 6.3793 6.6999 6.7006 7.6397 7.6449 7.6823 7.6863 8.7648 8.7660 9.3911 9.4121 9.5243 9.5489 10.2463 10.2489 14.1683 14.1808 14.1948 14.2042 14.5355 14.5376 15.4284 15.4317 k = 0.4720-0.0012-0.4732 ( 2726 PWs) bands (ev): -45.9163 -45.9163 -22.6610 -22.6607 -22.0279 -22.0275 -21.9894 -21.9892 -14.1645 -14.1645 -6.1398 -6.1372 -5.7680 -5.7576 -5.7453 -5.7368 -0.8023 -0.7965 0.9375 0.9388 1.2829 1.2907 6.1828 6.1837 6.3693 6.3715 6.6856 6.6861 7.6403 7.6450 7.6728 7.6766 8.7594 8.7602 9.4009 9.4168 9.5381 9.5568 10.2531 10.2551 14.1797 14.1899 14.2031 14.2110 14.5440 14.5456 15.4279 15.4305 k = 0.4809-0.0013-0.4821 ( 2726 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6609 -22.0280 -22.0277 -21.9894 -21.9892 -14.1638 -14.1638 -6.1329 -6.1311 -5.7675 -5.7597 -5.7468 -5.7403 -0.8024 -0.7984 0.9350 0.9359 1.2848 1.2901 6.1763 6.1769 6.3642 6.3658 6.6752 6.6755 7.6422 7.6463 7.6646 7.6683 8.7554 8.7559 9.4085 9.4192 9.5495 9.5622 10.2581 10.2595 14.1884 14.1955 14.2100 14.2156 14.5503 14.5514 15.4277 15.4295 k = 0.4898-0.0013-0.4911 ( 2714 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6610 -22.0280 -22.0279 -21.9893 -21.9893 -14.1634 -14.1634 -6.1284 -6.1274 -5.7666 -5.7622 -5.7467 -5.7431 -0.8021 -0.7999 0.9335 0.9339 1.2865 1.2894 6.1722 6.1726 6.3612 6.3621 6.6687 6.6688 7.6451 7.6486 7.6581 7.6614 8.7529 8.7532 9.4140 9.4197 9.5580 9.5647 10.2614 10.2621 14.1944 14.1982 14.2151 14.2181 14.5543 14.5549 15.4277 15.4287 k = 0.4987-0.0013-0.5000 ( 2712 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6610 -22.0280 -22.0280 -21.9893 -21.9893 -14.1633 -14.1633 -6.1263 -6.1262 -5.7651 -5.7645 -5.7456 -5.7451 -0.8014 -0.8011 0.9330 0.9331 1.2879 1.2883 6.1707 6.1708 6.3603 6.3604 6.6661 6.6662 7.6486 7.6494 7.6555 7.6563 8.7520 8.7520 9.4176 9.4183 9.5631 9.5639 10.2629 10.2630 14.1977 14.1982 14.2179 14.2183 14.5560 14.5561 15.4279 15.4281 k = 0.5013 0.4974-0.0026 ( 2712 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6610 -22.0280 -22.0280 -21.9893 -21.9893 -14.1633 -14.1633 -6.1263 -6.1262 -5.7651 -5.7645 -5.7456 -5.7451 -0.8014 -0.8011 0.9330 0.9331 1.2879 1.2883 6.1708 6.1708 6.3603 6.3604 6.6662 6.6662 7.6486 7.6494 7.6555 7.6563 8.7520 8.7520 9.4176 9.4183 9.5630 9.5639 10.2629 10.2630 14.1977 14.1982 14.2179 14.2183 14.5560 14.5561 15.4279 15.4281 k = 0.5000 0.4987-0.0026 ( 2712 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6611 -22.0280 -22.0280 -21.9893 -21.9893 -14.1633 -14.1633 -6.1262 -6.1262 -5.7648 -5.7648 -5.7454 -5.7454 -0.8013 -0.8013 0.9330 0.9330 1.2881 1.2881 6.1708 6.1708 6.3603 6.3603 6.6661 6.6661 7.6491 7.6491 7.6559 7.6559 8.7520 8.7520 9.4180 9.4180 9.5635 9.5635 10.2630 10.2630 14.1980 14.1980 14.2181 14.2181 14.5561 14.5561 15.4280 15.4280 k = 0.5000 0.4987-0.0026 ( 2712 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6611 -22.0280 -22.0280 -21.9893 -21.9893 -14.1633 -14.1633 -6.1262 -6.1262 -5.7648 -5.7648 -5.7454 -5.7454 -0.8013 -0.8013 0.9330 0.9330 1.2881 1.2881 6.1708 6.1708 6.3603 6.3603 6.6661 6.6661 7.6491 7.6491 7.6559 7.6559 8.7520 8.7520 9.4180 9.4180 9.5635 9.5635 10.2630 10.2630 14.1980 14.1980 14.2181 14.2181 14.5561 14.5561 15.4280 15.4280 k = 0.5000 0.4987 0.0098 ( 2710 PWs) bands (ev): -45.9162 -45.9162 -22.6611 -22.6610 -22.0280 -22.0280 -21.9894 -21.9893 -14.1632 -14.1632 -6.1255 -6.1254 -5.7647 -5.7643 -5.7452 -5.7451 -0.8041 -0.8005 0.9318 0.9318 1.2837 1.2884 6.1705 6.1712 6.3630 6.3634 6.6661 6.6661 7.6491 7.6502 7.6569 7.6570 8.7474 8.7478 9.4191 9.4192 9.5640 9.5643 10.2631 10.2631 14.1979 14.1992 14.2185 14.2185 14.5564 14.5565 15.4326 15.4338 k = 0.5001 0.4988 0.0223 ( 2712 PWs) bands (ev): -45.9162 -45.9162 -22.6612 -22.6611 -22.0280 -22.0280 -21.9896 -21.9894 -14.1629 -14.1629 -6.1233 -6.1230 -5.7641 -5.7633 -5.7445 -5.7444 -0.8090 -0.8019 0.9282 0.9282 1.2752 1.2844 6.1704 6.1717 6.3714 6.3721 6.6661 6.6661 7.6502 7.6523 7.6601 7.6604 8.7342 8.7350 9.4225 9.4227 9.5658 9.5665 10.2634 10.2634 14.1987 14.2015 14.2196 14.2199 14.5575 14.5576 15.4475 15.4499 k = 0.5001 0.4988 0.0347 ( 2720 PWs) bands (ev): -45.9162 -45.9162 -22.6614 -22.6611 -22.0280 -22.0280 -21.9900 -21.9897 -14.1624 -14.1624 -6.1195 -6.1191 -5.7629 -5.7618 -5.7434 -5.7433 -0.8160 -0.8055 0.9221 0.9223 1.2627 1.2764 6.1704 6.1723 6.3854 6.3865 6.6661 6.6661 7.6522 7.6554 7.6656 7.6661 8.7126 8.7138 9.4281 9.4285 9.5690 9.5699 10.2639 10.2639 14.2003 14.2047 14.2218 14.2225 14.5592 14.5594 15.4724 15.4759 k = 0.5001 0.4988 0.0471 ( 2722 PWs) bands (ev): -45.9162 -45.9162 -22.6616 -22.6613 -22.0280 -22.0280 -21.9904 -21.9901 -14.1617 -14.1617 -6.1142 -6.1136 -5.7612 -5.7597 -5.7418 -5.7417 -0.8250 -0.8110 0.9138 0.9140 1.2462 1.2643 6.1706 6.1728 6.4050 6.4065 6.6662 6.6662 7.6550 7.6594 7.6733 7.6741 8.6831 8.6845 9.4358 9.4365 9.5734 9.5746 10.2646 10.2646 14.2025 14.2085 14.2254 14.2268 14.5617 14.5619 15.5068 15.5113 k = 0.5002 0.4989 0.0596 ( 2723 PWs) bands (ev): -45.9162 -45.9162 -22.6618 -22.6614 -22.0280 -22.0279 -21.9910 -21.9905 -14.1608 -14.1608 -6.1074 -6.1067 -5.7590 -5.7571 -5.7398 -5.7396 -0.8359 -0.8186 0.9032 0.9034 1.2261 1.2484 6.1708 6.1733 6.4299 6.4318 6.6662 6.6662 7.6585 7.6640 7.6831 7.6840 8.6462 8.6479 9.4457 9.4465 9.5792 9.5806 10.2655 10.2655 14.2054 14.2126 14.2310 14.2328 14.5649 14.5650 15.5501 15.5555 k = 0.5002 0.4989 0.0720 ( 2728 PWs) bands (ev): -45.9162 -45.9162 -22.6620 -22.6616 -22.0279 -22.0279 -21.9917 -21.9911 -14.1597 -14.1597 -6.0992 -6.0984 -5.7562 -5.7540 -5.7374 -5.7372 -0.8487 -0.8282 0.8904 0.8907 1.2026 1.2288 6.1711 6.1738 6.4599 6.4621 6.6662 6.6663 7.6626 7.6693 7.6948 7.6959 8.6027 8.6044 9.4575 9.4586 9.5863 9.5879 10.2665 10.2665 14.2089 14.2170 14.2386 14.2407 14.5687 14.5689 15.6016 15.6076 k = 0.5002 0.4989 0.0844 ( 2731 PWs) bands (ev): -45.9162 -45.9162 -22.6623 -22.6618 -22.0279 -22.0278 -21.9925 -21.9918 -14.1584 -14.1584 -6.0896 -6.0886 -5.7530 -5.7504 -5.7345 -5.7343 -0.8633 -0.8397 0.8756 0.8759 1.1758 1.2058 6.1713 6.1741 6.4948 6.4971 6.6663 6.6664 7.6671 7.6751 7.7082 7.7095 8.5531 8.5549 9.4714 9.4727 9.5947 9.5965 10.2678 10.2678 14.2135 14.2220 14.2483 14.2504 14.5733 14.5735 15.6603 15.6669 k = 0.5003 0.4990 0.0969 ( 2731 PWs) bands (ev): -45.9161 -45.9161 -22.6626 -22.6620 -22.0278 -22.0278 -21.9933 -21.9926 -14.1570 -14.1570 -6.0786 -6.0774 -5.7493 -5.7463 -5.7313 -5.7310 -0.8796 -0.8531 0.8587 0.8591 1.1462 1.1797 6.1715 6.1743 6.5342 6.5365 6.6663 6.6666 7.6718 7.6812 7.7229 7.7244 8.4985 8.5001 9.4871 9.4887 9.6045 9.6064 10.2692 10.2692 14.2191 14.2279 14.2598 14.2617 14.5784 14.5786 15.7255 15.7324 k = 0.5003 0.4990 0.1093 ( 2734 PWs) bands (ev): -45.9161 -45.9161 -22.6630 -22.6623 -22.0278 -22.0277 -21.9942 -21.9934 -14.1554 -14.1554 -6.0663 -6.0650 -5.7451 -5.7418 -5.7277 -5.7274 -0.8974 -0.8681 0.8401 0.8405 1.1139 1.1506 6.1717 6.1744 6.5778 6.5796 6.6664 6.6670 7.6766 7.6874 7.7386 7.7404 8.4396 8.4411 9.5047 9.5066 9.6158 9.6176 10.2708 10.2709 14.2261 14.2350 14.2729 14.2747 14.5842 14.5844 15.7961 15.8033 k = 0.5003 0.4990 0.1217 ( 2732 PWs) bands (ev): -45.9161 -45.9161 -22.6633 -22.6626 -22.0277 -22.0276 -21.9952 -21.9943 -14.1536 -14.1536 -6.0527 -6.0513 -5.7404 -5.7368 -5.7236 -5.7233 -0.9167 -0.8849 0.8197 0.8202 1.0794 1.1190 6.1717 6.1744 6.6250 6.6253 6.6667 6.6684 7.6810 7.6933 7.7550 7.7572 8.3776 8.3787 9.5243 9.5264 9.6284 9.6303 10.2726 10.2726 14.2346 14.2433 14.2874 14.2891 14.5906 14.5908 15.8712 15.8786 k = 0.5004 0.4990 0.1342 ( 2732 PWs) bands (ev): -45.9161 -45.9161 -22.6637 -22.6629 -22.0276 -22.0276 -21.9963 -21.9953 -14.1517 -14.1517 -6.0380 -6.0364 -5.7354 -5.7314 -5.7193 -5.7190 -0.9373 -0.9031 0.7978 0.7984 1.0429 1.0851 6.1717 6.1742 6.6604 6.6652 6.6773 6.6836 7.6846 7.6984 7.7715 7.7742 8.3138 8.3144 9.5456 9.5480 9.6426 9.6445 10.2745 10.2746 14.2445 14.2530 14.3033 14.3048 14.5976 14.5977 15.9500 15.9575 k = 0.5004 0.4991 0.1466 ( 2732 PWs) bands (ev): -45.9160 -45.9160 -22.6641 -22.6633 -22.0275 -22.0275 -21.9974 -21.9964 -14.1497 -14.1497 -6.0222 -6.0205 -5.7300 -5.7257 -5.7146 -5.7143 -0.9591 -0.9227 0.7745 0.7752 1.0047 1.0492 6.1715 6.1739 6.6647 6.6664 6.7299 6.7321 7.6867 7.7019 7.7876 7.7908 8.2496 8.2499 9.5689 9.5715 9.6584 9.6602 10.2766 10.2767 14.2560 14.2642 14.3205 14.3219 14.6051 14.6051 16.0314 16.0389 k = 0.5004 0.4991 0.1590 ( 2729 PWs) bands (ev): -45.9160 -45.9160 -22.6645 -22.6637 -22.0274 -22.0274 -21.9986 -21.9975 -14.1475 -14.1475 -6.0054 -6.0035 -5.7242 -5.7196 -5.7096 -5.7093 -0.9820 -0.9436 0.7500 0.7507 0.9652 1.0116 6.1711 6.1734 6.6655 6.6667 6.7858 6.7863 7.6862 7.7026 7.8027 7.8063 8.1866 8.1881 9.5939 9.5967 9.6757 9.6776 10.2787 10.2789 14.2689 14.2767 14.3388 14.3401 14.6130 14.6130 16.1145 16.1220 k = 0.5005 0.4991 0.1715 ( 2728 PWs) bands (ev): -45.9160 -45.9160 -22.6650 -22.6641 -22.0274 -22.0273 -21.9998 -21.9987 -14.1453 -14.1452 -5.9877 -5.9857 -5.7181 -5.7131 -5.7043 -5.7040 -1.0057 -0.9656 0.7245 0.7253 0.9248 0.9728 6.1705 6.1727 6.6660 6.6669 6.8425 6.8437 7.6815 7.6983 7.8158 7.8197 8.1283 8.1318 9.6206 9.6236 9.6947 9.6966 10.2810 10.2812 14.2832 14.2907 14.3582 14.3593 14.6213 14.6214 16.1984 16.2058 k = 0.5005 0.4992 0.1839 ( 2722 PWs) bands (ev): -45.9159 -45.9159 -22.6654 -22.6645 -22.0273 -22.0272 -22.0011 -21.9999 -14.1429 -14.1429 -5.9692 -5.9670 -5.7118 -5.7064 -5.6987 -5.6985 -1.0302 -0.9886 0.6980 0.6989 0.8836 0.9328 6.1697 6.1717 6.6664 6.6671 6.9000 6.9031 7.6699 7.6860 7.8265 7.8298 8.0791 8.0849 9.6490 9.6522 9.7154 9.7172 10.2834 10.2836 14.2989 14.3059 14.3785 14.3795 14.6300 14.6302 16.2820 16.2894 k = 0.5005 0.4992 0.1963 ( 2724 PWs) bands (ev): -45.9159 -45.9159 -22.6659 -22.6650 -22.0272 -22.0271 -22.0024 -22.0012 -14.1404 -14.1404 -5.9499 -5.9476 -5.7052 -5.6994 -5.6929 -5.6928 -1.0553 -1.0124 0.6709 0.6719 0.8420 0.8922 6.1686 6.1705 6.6667 6.6674 6.9582 6.9634 7.6482 7.6621 7.8345 7.8356 8.0433 8.0515 9.6790 9.6823 9.7378 9.7395 10.2859 10.2862 14.3157 14.3223 14.3996 14.4006 14.6391 14.6393 16.3644 16.3718 k = 0.5006 0.4992 0.2088 ( 2726 PWs) bands (ev): -45.9158 -45.9158 -22.6664 -22.6655 -22.0271 -22.0270 -22.0038 -22.0026 -14.1379 -14.1379 -5.9301 -5.9276 -5.6984 -5.6923 -5.6869 -5.6868 -1.0808 -1.0369 0.6432 0.6443 0.8002 0.8510 6.1671 6.1689 6.6670 6.6677 7.0165 7.0242 7.6138 7.6245 7.8379 7.8410 8.0232 8.0330 9.7105 9.7138 9.7618 9.7635 10.2884 10.2888 14.3337 14.3398 14.4215 14.4224 14.6484 14.6487 16.4445 16.4520 k = 0.5006 0.4993 0.2212 ( 2724 PWs) bands (ev): -45.9158 -45.9158 -22.6669 -22.6659 -22.0270 -22.0269 -22.0052 -22.0039 -14.1353 -14.1353 -5.9097 -5.9071 -5.6915 -5.6850 -5.6807 -5.6806 -1.1065 -1.0619 0.6152 0.6164 0.7586 0.8096 6.1652 6.1668 6.6674 6.6680 7.0743 7.0848 7.5670 7.5747 7.8388 7.8476 8.0169 8.0270 9.7432 9.7466 9.7874 9.7891 10.2911 10.2915 14.3526 14.3582 14.4441 14.4449 14.6580 14.6584 16.5214 16.5291 k = 0.5006 0.4993 0.2337 ( 2722 PWs) bands (ev): -45.9158 -45.9158 -22.6675 -22.6664 -22.0269 -22.0268 -22.0066 -22.0053 -14.1327 -14.1327 -5.8890 -5.8862 -5.6845 -5.6776 -5.6745 -5.6742 -1.1323 -1.0874 0.5870 0.5883 0.7173 0.7683 6.1628 6.1644 6.6677 6.6683 7.1310 7.1446 7.5109 7.5162 7.8407 7.8551 8.0197 8.0294 9.7771 9.7805 9.8145 9.8162 10.2937 10.2942 14.3723 14.3775 14.4671 14.4679 14.6677 14.6682 16.5941 16.6020 k = 0.5007 0.4993 0.2461 ( 2726 PWs) bands (ev): -45.9157 -45.9157 -22.6680 -22.6670 -22.0268 -22.0267 -22.0080 -22.0067 -14.1301 -14.1301 -5.8681 -5.8650 -5.6775 -5.6702 -5.6680 -5.6676 -1.1581 -1.1130 0.5588 0.5602 0.6766 0.7273 6.1599 6.1613 6.6681 6.6686 7.1855 7.2025 7.4493 7.4534 7.8444 7.8640 8.0277 8.0368 9.8119 9.8153 9.8430 9.8448 10.2964 10.2969 14.3927 14.3974 14.4905 14.4913 14.6776 14.6782 16.6614 16.6699 k = 0.5007 0.4994 0.2585 ( 2724 PWs) bands (ev): -45.9157 -45.9157 -22.6685 -22.6675 -22.0267 -22.0266 -22.0094 -22.0081 -14.1275 -14.1275 -5.8470 -5.8438 -5.6706 -5.6631 -5.6612 -5.6609 -1.1837 -1.1387 0.5307 0.5323 0.6368 0.6868 6.1564 6.1577 6.6685 6.6690 7.2351 7.2559 7.3876 7.3910 7.8500 7.8743 8.0382 8.0467 9.8475 9.8508 9.8729 9.8747 10.2991 10.2997 14.4135 14.4178 14.5142 14.5149 14.6876 14.6883 16.7227 16.7319 k = 0.5007 0.4994 0.2710 ( 2722 PWs) bands (ev): -45.9157 -45.9157 -22.6690 -22.6680 -22.0266 -22.0265 -22.0107 -22.0094 -14.1248 -14.1248 -5.8260 -5.8225 -5.6637 -5.6563 -5.6540 -5.6540 -1.2090 -1.1643 0.5030 0.5047 0.5980 0.6470 6.1522 6.1534 6.6689 6.6694 7.2648 7.2824 7.3457 7.3497 7.8575 7.8861 8.0498 8.0578 9.8836 9.8868 9.9038 9.9057 10.3017 10.3025 14.4347 14.4386 14.5381 14.5387 14.6976 14.6984 16.7772 16.7873 k = 0.5007 0.4994 0.2834 ( 2722 PWs) bands (ev): -45.9156 -45.9156 -22.6695 -22.6685 -22.0265 -22.0264 -22.0120 -22.0108 -14.1222 -14.1222 -5.8051 -5.8014 -5.6570 -5.6499 -5.6471 -5.6466 -1.2337 -1.1896 0.4758 0.4777 0.5604 0.6081 6.1472 6.1482 6.6693 6.6697 7.2314 7.2366 7.3617 7.3818 7.8669 7.8991 8.0617 8.0693 9.9199 9.9229 9.9357 9.9377 10.3044 10.3053 14.4561 14.4596 14.5619 14.5626 14.7077 14.7085 16.8244 16.8357 k = 0.5008 0.4995 0.2958 ( 2732 PWs) bands (ev): -45.9156 -45.9156 -22.6700 -22.6691 -22.0265 -22.0264 -22.0134 -22.0121 -14.1197 -14.1197 -5.7845 -5.7806 -5.6505 -5.6435 -5.6401 -5.6392 -1.2577 -1.2146 0.4492 0.4512 0.5241 0.5703 6.1413 6.1423 6.6697 6.6701 7.1727 7.1754 7.4016 7.4278 7.8781 7.9136 8.0732 8.0806 9.9560 9.9589 9.9685 9.9704 10.3070 10.3080 14.4775 14.4806 14.5857 14.5863 14.7177 14.7186 16.8642 16.8768 k = 0.5008 0.4995 0.3083 ( 2732 PWs) bands (ev): -45.9155 -45.9155 -22.6705 -22.6696 -22.0264 -22.0263 -22.0146 -22.0134 -14.1172 -14.1172 -5.7643 -5.7602 -5.6442 -5.6373 -5.6331 -5.6319 -1.2810 -1.2390 0.4233 0.4256 0.4894 0.5339 6.1346 6.1354 6.6700 6.6705 7.1125 7.1144 7.4421 7.4720 7.8914 7.9295 8.0843 8.0915 9.9918 9.9942 10.0019 10.0038 10.3095 10.3107 14.4987 14.5015 14.6092 14.6097 14.7276 14.7286 16.8967 16.9109 k = 0.5008 0.4995 0.3207 ( 2732 PWs) bands (ev): -45.9155 -45.9155 -22.6710 -22.6701 -22.0264 -22.0262 -22.0159 -22.0146 -14.1148 -14.1148 -5.7448 -5.7403 -5.6381 -5.6312 -5.6262 -5.6249 -1.3033 -1.2628 0.3985 0.4009 0.4564 0.4988 6.1269 6.1276 6.6704 6.6708 7.0544 7.0560 7.4799 7.5125 7.9069 7.9467 8.0946 8.1017 10.0268 10.0286 10.0359 10.0375 10.3120 10.3134 14.5195 14.5220 14.6322 14.6328 14.7375 14.7385 16.9225 16.9384 k = 0.5009 0.4996 0.3331 ( 2734 PWs) bands (ev): -45.9155 -45.9155 -22.6715 -22.6706 -22.0263 -22.0262 -22.0170 -22.0158 -14.1125 -14.1124 -5.7259 -5.7211 -5.6323 -5.6252 -5.6195 -5.6180 -1.3246 -1.2857 0.3747 0.3773 0.4253 0.4653 6.1182 6.1188 6.6708 6.6712 6.9997 7.0010 7.5141 7.5483 7.9247 7.9652 8.1041 8.1112 10.0608 10.0618 10.0699 10.0712 10.3144 10.3160 14.5398 14.5420 14.6548 14.6554 14.7471 14.7482 16.9422 16.9599 k = 0.5009 0.4996 0.3456 ( 2734 PWs) bands (ev): -45.9154 -45.9154 -22.6719 -22.6710 -22.0263 -22.0261 -22.0181 -22.0170 -14.1102 -14.1102 -5.7079 -5.7027 -5.6267 -5.6194 -5.6129 -5.6114 -1.3447 -1.3077 0.3521 0.3549 0.3960 0.4336 6.1086 6.1091 6.6712 6.6716 6.9489 6.9501 7.5444 7.5792 7.9446 7.9847 8.1128 8.1199 10.0936 10.0940 10.1034 10.1044 10.3167 10.3185 14.5593 14.5613 14.6766 14.6772 14.7566 14.7576 16.9569 16.9763 k = 0.5009 0.4996 0.3580 ( 2738 PWs) bands (ev): -45.9154 -45.9154 -22.6723 -22.6715 -22.0263 -22.0261 -22.0191 -22.0180 -14.1081 -14.1081 -5.6910 -5.6853 -5.6214 -5.6138 -5.6066 -5.6052 -1.3634 -1.3286 0.3308 0.3338 0.3688 0.4037 6.0981 6.0985 6.6716 6.6719 6.9024 6.9035 7.5709 7.6051 7.9664 8.0048 8.1207 8.1279 10.1251 10.1251 10.1357 10.1366 10.3189 10.3209 14.5780 14.5797 14.6977 14.6982 14.7658 14.7669 16.9673 16.9884 k = 0.5010 0.4997 0.3704 ( 2740 PWs) bands (ev): -45.9154 -45.9154 -22.6727 -22.6719 -22.0263 -22.0261 -22.0200 -22.0190 -14.1061 -14.1061 -5.6752 -5.6690 -5.6164 -5.6083 -5.6006 -5.5993 -1.3808 -1.3484 0.3110 0.3142 0.3437 0.3757 6.0870 6.0873 6.6719 6.6722 6.8605 6.8614 7.5937 7.6264 7.9894 8.0252 8.1277 8.1352 10.1547 10.1552 10.1665 10.1675 10.3209 10.3232 14.5956 14.5971 14.7177 14.7182 14.7748 14.7758 16.9746 16.9972 k = 0.5010 0.4997 0.3829 ( 2744 PWs) bands (ev): -45.9154 -45.9154 -22.6730 -22.6723 -22.0263 -22.0261 -22.0209 -22.0199 -14.1043 -14.1043 -5.6607 -5.6540 -5.6116 -5.6030 -5.5950 -5.5939 -1.3967 -1.3668 0.2928 0.2961 0.3208 0.3498 6.0753 6.0755 6.6723 6.6725 6.8232 6.8240 7.6131 7.6435 8.0131 8.0452 8.1339 8.1417 10.1827 10.1836 10.1955 10.1966 10.3229 10.3255 14.6119 14.6133 14.7365 14.7370 14.7834 14.7844 16.9796 17.0034 k = 0.5010 0.4997 0.3953 ( 2742 PWs) bands (ev): -45.9153 -45.9153 -22.6733 -22.6727 -22.0263 -22.0262 -22.0216 -22.0207 -14.1026 -14.1026 -5.6478 -5.6404 -5.6070 -5.5978 -5.5897 -5.5889 -1.4110 -1.3838 0.2763 0.2797 0.3002 0.3261 6.0634 6.0635 6.6726 6.6728 6.7905 6.7912 7.6294 7.6571 8.0365 8.0645 8.1394 8.1477 10.2087 10.2100 10.2223 10.2235 10.3246 10.3277 14.6269 14.6281 14.7540 14.7544 14.7916 14.7925 16.9830 17.0077 k = 0.5011 0.4998 0.4077 ( 2747 PWs) bands (ev): -45.9153 -45.9153 -22.6736 -22.6731 -22.0264 -22.0263 -22.0222 -22.0214 -14.1011 -14.1011 -5.6364 -5.6285 -5.6026 -5.5928 -5.5849 -5.5843 -1.4237 -1.3993 0.2616 0.2649 0.2819 0.3046 6.0516 6.0517 6.6728 6.6730 6.7623 6.7628 7.6431 7.6676 8.0590 8.0822 8.1443 8.1531 10.2324 10.2341 10.2467 10.2481 10.3263 10.3298 14.6403 14.6413 14.7700 14.7704 14.7993 14.8002 16.9856 17.0105 k = 0.5011 0.4998 0.4202 ( 2742 PWs) bands (ev): -45.9153 -45.9153 -22.6738 -22.6734 -22.0265 -22.0264 -22.0226 -22.0219 -14.0998 -14.0998 -5.6267 -5.6187 -5.5980 -5.5881 -5.5805 -5.5802 -1.4346 -1.4133 0.2489 0.2520 0.2659 0.2855 6.0403 6.0403 6.6731 6.6733 6.7384 6.7388 7.6545 7.6757 8.0799 8.0981 8.1485 8.1580 10.2536 10.2556 10.2684 10.2700 10.3279 10.3320 14.6522 14.6530 14.7843 14.7846 14.8065 14.8072 16.9880 17.0122 k = 0.5011 0.4998 0.4326 ( 2750 PWs) bands (ev): -45.9153 -45.9153 -22.6741 -22.6737 -22.0266 -22.0265 -22.0230 -22.0225 -14.0986 -14.0986 -5.6188 -5.6111 -5.5932 -5.5837 -5.5766 -5.5766 -1.4437 -1.4255 0.2382 0.2410 0.2522 0.2687 6.0298 6.0299 6.6733 6.6734 6.7186 6.7190 7.6638 7.6816 8.0985 8.1117 8.1524 8.1625 10.2718 10.2743 10.2870 10.2889 10.3296 10.3342 14.6623 14.6631 14.7967 14.7969 14.8130 14.8136 16.9907 17.0129 k = 0.5012 0.4999 0.4450 ( 2762 PWs) bands (ev): -45.9153 -45.9153 -22.6743 -22.6739 -22.0267 -22.0267 -22.0234 -22.0229 -14.0977 -14.0977 -5.6125 -5.6059 -5.5882 -5.5800 -5.5733 -5.5731 -1.4510 -1.4361 0.2295 0.2319 0.2408 0.2543 6.0206 6.0206 6.6735 6.6736 6.7027 6.7030 7.6715 7.6859 8.1143 8.1226 8.1560 8.1665 10.2870 10.2899 10.3025 10.3045 10.3314 10.3365 14.6708 14.6714 14.8070 14.8072 14.8188 14.8193 16.9938 17.0122 k = 0.5012 0.4999 0.4575 ( 2770 PWs) bands (ev): -45.9153 -45.9153 -22.6744 -22.6742 -22.0269 -22.0269 -22.0236 -22.0232 -14.0969 -14.0969 -5.6077 -5.6026 -5.5835 -5.5771 -5.5705 -5.5703 -1.4564 -1.4448 0.2231 0.2248 0.2319 0.2424 6.0129 6.0129 6.6736 6.6737 6.6904 6.6906 7.6776 7.6886 8.1266 8.1309 8.1597 8.1698 10.2987 10.3020 10.3145 10.3163 10.3340 10.3391 14.6774 14.6779 14.8151 14.8151 14.8238 14.8241 16.9972 17.0098 k = 0.5012 0.4999 0.4699 ( 2790 PWs) bands (ev): -45.9153 -45.9153 -22.6746 -22.6744 -22.0271 -22.0271 -22.0238 -22.0235 -14.0964 -14.0964 -5.6042 -5.6007 -5.5796 -5.5752 -5.5682 -5.5680 -1.4598 -1.4518 0.2188 0.2197 0.2254 0.2331 6.0070 6.0071 6.6737 6.6738 6.6816 6.6818 7.6824 7.6900 8.1352 8.1368 8.1635 8.1719 10.3072 10.3102 10.3229 10.3239 10.3376 10.3417 14.6823 14.6827 14.8207 14.8207 14.8280 14.8281 17.0002 17.0058 k = 0.5013 0.5000 0.4823 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6746 -22.0272 -22.0272 -22.0238 -22.0237 -14.0960 -14.0960 -5.6018 -5.5999 -5.5768 -5.5744 -5.5665 -5.5665 -1.4614 -1.4568 0.2163 0.2165 0.2217 0.2264 6.0032 6.0033 6.6737 6.6738 6.6762 6.6763 7.6860 7.6903 8.1401 8.1404 8.1673 8.1726 10.3125 10.3145 10.3279 10.3281 10.3415 10.3438 14.6855 14.6856 14.8240 14.8240 14.8309 14.8309 17.0011 17.0018 k = 0.5013 0.5000 0.4948 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6004 -5.6000 -5.5752 -5.5746 -5.5658 -5.5658 -1.4610 -1.4599 0.2153 0.2153 0.2213 0.2224 6.0017 6.0017 6.6734 6.6734 6.6744 6.6744 7.6884 7.6894 8.1420 8.1420 8.1702 8.1716 10.3150 10.3156 10.3299 10.3299 10.3439 10.3444 14.6868 14.6869 14.8253 14.8253 14.8321 14.8321 17.0001 17.0002 k = 0.5013 0.5000 0.4948 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6004 -5.6000 -5.5752 -5.5746 -5.5658 -5.5658 -1.4610 -1.4599 0.2153 0.2153 0.2213 0.2224 6.0017 6.0017 6.6734 6.6734 6.6744 6.6744 7.6884 7.6894 8.1420 8.1420 8.1702 8.1716 10.3150 10.3156 10.3299 10.3299 10.3439 10.3444 14.6868 14.6869 14.8253 14.8253 14.8321 14.8321 17.0001 17.0002 k = 0.5000 0.4987 0.4974 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6002 -5.6002 -5.5748 -5.5748 -5.5658 -5.5658 -1.4605 -1.4605 0.2153 0.2153 0.2217 0.2217 6.0016 6.0016 6.6734 6.6734 6.6743 6.6743 7.6890 7.6890 8.1421 8.1421 8.1709 8.1709 10.3154 10.3154 10.3299 10.3299 10.3442 10.3442 14.6869 14.6869 14.8254 14.8254 14.8322 14.8322 17.0001 17.0001 k = 0.5000-0.0013-0.0013 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6471 -22.0115 -22.0115 -21.9737 -21.9737 -14.2401 -14.2401 -6.7130 -6.7130 -5.7709 -5.7709 -5.5139 -5.5139 -0.6859 -0.6859 1.2053 1.2053 1.3655 1.3655 6.4507 6.4507 7.6578 7.6578 7.6768 7.6768 8.2559 8.2559 8.3053 8.3053 8.6227 8.6227 8.7362 8.7362 9.4181 9.4181 9.5464 9.5464 12.8795 12.8795 14.1304 14.1304 14.2319 14.2319 14.8083 14.8083 k = 0.5000 0.0076 0.0076 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6471 -22.6470 -22.0115 -22.0115 -21.9737 -21.9737 -14.2400 -14.2400 -6.7122 -6.7122 -5.7708 -5.7708 -5.5143 -5.5142 -0.6862 -0.6860 1.2052 1.2052 1.3648 1.3649 6.4502 6.4507 7.6575 7.6583 7.6757 7.6767 8.2453 8.2491 8.2995 8.2998 8.6284 8.6290 8.7447 8.7451 9.4150 9.4158 9.5448 9.5449 12.8816 12.8817 14.1302 14.1306 14.2312 14.2322 14.8113 14.8122 k = 0.5001 0.0165 0.0165 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6472 -22.6471 -22.0116 -22.0115 -21.9739 -21.9739 -14.2397 -14.2397 -6.7100 -6.7099 -5.7704 -5.7704 -5.5154 -5.5152 -0.6868 -0.6865 1.2048 1.2048 1.3630 1.3630 6.4490 6.4502 7.6574 7.6591 7.6737 7.6756 8.2181 8.2254 8.2848 8.2857 8.6453 8.6462 8.7686 8.7695 9.4062 9.4078 9.5402 9.5404 12.8881 12.8882 14.1300 14.1308 14.2301 14.2321 14.8209 14.8227 k = 0.5001 0.0254 0.0253 ( 2746 PWs) bands (ev): -45.9173 -45.9173 -22.6473 -22.6471 -22.0117 -22.0115 -21.9741 -21.9741 -14.2391 -14.2391 -6.7062 -6.7061 -5.7697 -5.7697 -5.5172 -5.5170 -0.6878 -0.6873 1.2042 1.2042 1.3599 1.3599 6.4473 6.4490 7.6567 7.6601 7.6713 7.6733 8.1771 8.1874 8.2654 8.2667 8.6709 8.6718 8.8039 8.8048 9.3921 9.3945 9.5327 9.5329 12.8988 12.8989 14.1299 14.1311 14.2286 14.2316 14.8372 14.8398 k = 0.5002 0.0343 0.0342 ( 2748 PWs) bands (ev): -45.9172 -45.9172 -22.6475 -22.6473 -22.0118 -22.0116 -21.9744 -21.9743 -14.2383 -14.2383 -6.7009 -6.7008 -5.7687 -5.7687 -5.5198 -5.5195 -0.6893 -0.6885 1.2031 1.2031 1.3557 1.3557 6.4450 6.4473 7.6542 7.6606 7.6693 7.6704 8.1269 8.1396 8.2437 8.2451 8.7029 8.7036 8.8462 8.8470 9.3726 9.3757 9.5224 9.5227 12.9136 12.9138 14.1299 14.1315 14.2270 14.2308 14.8600 14.8633 k = 0.5002 0.0432 0.0431 ( 2752 PWs) bands (ev): -45.9172 -45.9172 -22.6477 -22.6475 -22.0120 -22.0116 -21.9747 -21.9747 -14.2372 -14.2372 -6.6942 -6.6939 -5.7674 -5.7674 -5.5230 -5.5226 -0.6912 -0.6901 1.2014 1.2015 1.3504 1.3506 6.4422 6.4451 7.6486 7.6586 7.6685 7.6688 8.0711 8.0860 8.2209 8.2222 8.7395 8.7400 8.8924 8.8929 9.3479 9.3519 9.5096 9.5100 12.9325 12.9328 14.1301 14.1320 14.2254 14.2299 14.8890 14.8928 k = 0.5003 0.0521 0.0520 ( 2746 PWs) bands (ev): -45.9172 -45.9172 -22.6480 -22.6476 -22.0121 -22.0117 -21.9752 -21.9751 -14.2360 -14.2359 -6.6859 -6.6856 -5.7659 -5.7659 -5.5268 -5.5263 -0.6936 -0.6922 1.1990 1.1992 1.3443 1.3446 6.4390 6.4424 7.6395 7.6523 7.6691 7.6695 8.0126 8.0298 8.1978 8.1989 8.7796 8.7799 8.9405 8.9405 9.3184 9.3232 9.4947 9.4950 12.9552 12.9556 14.1305 14.1328 14.2238 14.2290 14.9238 14.9282 k = 0.5003 0.0610 0.0609 ( 2747 PWs) bands (ev): -45.9172 -45.9172 -22.6483 -22.6479 -22.0123 -22.0119 -21.9757 -21.9757 -14.2345 -14.2345 -6.6762 -6.6759 -5.7640 -5.7640 -5.5312 -5.5307 -0.6966 -0.6949 1.1957 1.1959 1.3373 1.3381 6.4354 6.4393 7.6269 7.6422 7.6706 7.6707 7.9536 7.9733 8.1750 8.1760 8.8223 8.8224 8.9882 8.9890 9.2843 9.2901 9.4779 9.4782 12.9817 12.9821 14.1312 14.1338 14.2225 14.2281 14.9643 14.9690 k = 0.5004 0.0699 0.0698 ( 2746 PWs) bands (ev): -45.9172 -45.9172 -22.6486 -22.6481 -22.0125 -22.0120 -21.9763 -21.9763 -14.2328 -14.2327 -6.6650 -6.6647 -5.7620 -5.7620 -5.5361 -5.5355 -0.7002 -0.6981 1.1910 1.1914 1.3299 1.3312 6.4314 6.4358 7.6102 7.6280 7.6720 7.6722 7.8963 7.9184 8.1530 8.1538 8.8669 8.8671 9.0352 9.0371 9.2461 9.2530 9.4597 9.4599 13.0115 13.0120 14.1324 14.1352 14.2216 14.2276 15.0100 15.0150 k = 0.5004 0.0788 0.0786 ( 2748 PWs) bands (ev): -45.9171 -45.9171 -22.6490 -22.6485 -22.0127 -22.0122 -21.9770 -21.9769 -14.2308 -14.2308 -6.6525 -6.6520 -5.7596 -5.7596 -5.5415 -5.5409 -0.7045 -0.7020 1.1848 1.1855 1.3221 1.3241 6.4272 6.4320 7.5884 7.6084 7.6729 7.6734 7.8431 7.8672 8.1322 8.1327 8.9129 8.9133 9.0796 9.0838 9.2045 9.2137 9.4406 9.4407 13.0447 13.0452 14.1340 14.1372 14.2211 14.2274 15.0606 15.0658 k = 0.5005 0.0877 0.0875 ( 2745 PWs) bands (ev): -45.9171 -45.9171 -22.6494 -22.6488 -22.0129 -22.0123 -21.9777 -21.9777 -14.2287 -14.2287 -6.6385 -6.6380 -5.7570 -5.7570 -5.5473 -5.5466 -0.7096 -0.7065 1.1767 1.1778 1.3142 1.3171 6.4227 6.4279 7.5605 7.5817 7.6731 7.6740 7.7965 7.8215 8.1127 8.1129 8.9599 8.9606 9.1132 9.1230 9.1656 9.1804 9.4210 9.4211 13.0808 13.0814 14.1363 14.1396 14.2213 14.2277 15.1158 15.1212 k = 0.5005 0.0966 0.0964 ( 2745 PWs) bands (ev): -45.9171 -45.9171 -22.6498 -22.6492 -22.0132 -22.0125 -21.9785 -21.9785 -14.2264 -14.2264 -6.6231 -6.6226 -5.7542 -5.7542 -5.5535 -5.5527 -0.7155 -0.7118 1.1666 1.1681 1.3063 1.3103 6.4181 6.4236 7.5261 7.5468 7.6724 7.6737 7.7583 7.7825 8.0946 8.0947 9.0071 9.0086 9.0993 9.1013 9.1831 9.1904 9.4015 9.4019 13.1196 13.1203 14.1393 14.1428 14.2220 14.2287 15.1753 15.1807 k = 0.5006 0.1056 0.1053 ( 2743 PWs) bands (ev): -45.9170 -45.9170 -22.6503 -22.6496 -22.0135 -22.0127 -21.9794 -21.9793 -14.2239 -14.2239 -6.6065 -6.6058 -5.7511 -5.7511 -5.5600 -5.5591 -0.7222 -0.7179 1.1543 1.1563 1.2985 1.3037 6.4135 6.4191 7.4857 7.5042 7.6703 7.6720 7.7285 7.7503 8.0778 8.0782 9.0422 9.0474 9.0605 9.0661 9.2249 9.2275 9.3830 9.3837 13.1610 13.1618 14.1430 14.1466 14.2236 14.2303 15.2386 15.2441 k = 0.5006 0.1145 0.1142 ( 2741 PWs) bands (ev): -45.9170 -45.9170 -22.6508 -22.6501 -22.0137 -22.0130 -21.9803 -21.9803 -14.2212 -14.2212 -6.5885 -6.5878 -5.7478 -5.7478 -5.5666 -5.5657 -0.7300 -0.7249 1.1397 1.1424 1.2907 1.2973 6.4088 6.4146 7.4409 7.4564 7.6665 7.6688 7.7052 7.7238 8.0626 8.0632 8.9957 8.9971 9.1056 9.1059 9.2667 9.2670 9.3663 9.3678 13.2046 13.2054 14.1475 14.1513 14.2259 14.2327 15.3055 15.3109 k = 0.5007 0.1234 0.1230 ( 2744 PWs) bands (ev): -45.9170 -45.9170 -22.6513 -22.6506 -22.0140 -22.0132 -21.9813 -21.9813 -14.2184 -14.2183 -6.5693 -6.5685 -5.7443 -5.7442 -5.5734 -5.5725 -0.7387 -0.7329 1.1230 1.1263 1.2827 1.2909 6.4042 6.4101 7.3937 7.4060 7.6605 7.6633 7.6866 7.7018 8.0488 8.0497 8.9388 8.9414 9.1518 9.1522 9.3045 9.3068 9.3534 9.3567 13.2502 13.2511 14.1529 14.1568 14.2292 14.2359 15.3756 15.3810 k = 0.5007 0.1323 0.1319 ( 2743 PWs) bands (ev): -45.9169 -45.9169 -22.6519 -22.6511 -22.0144 -22.0135 -21.9824 -21.9823 -14.2154 -14.2153 -6.5488 -6.5480 -5.7405 -5.7405 -5.5803 -5.5793 -0.7484 -0.7417 1.1043 1.1081 1.2743 1.2841 6.3997 6.4055 7.3460 7.3552 7.6517 7.6551 7.6712 7.6833 8.0364 8.0376 8.8801 8.8832 9.1946 9.1955 9.3306 9.3365 9.3549 9.3617 13.2975 13.2984 14.1593 14.1633 14.2334 14.2401 15.4485 15.4539 k = 0.5007 0.1412 0.1408 ( 2744 PWs) bands (ev): -45.9169 -45.9169 -22.6525 -22.6516 -22.0147 -22.0138 -21.9835 -21.9834 -14.2122 -14.2122 -6.5272 -6.5263 -5.7366 -5.7365 -5.5872 -5.5862 -0.7592 -0.7516 1.0837 1.0882 1.2652 1.2768 6.3953 6.4010 7.2991 7.3056 7.6398 7.6437 7.6582 7.6674 8.0252 8.0266 8.8202 8.8235 9.2294 9.2307 9.3411 9.3434 9.3885 9.3914 13.3463 13.3473 14.1666 14.1706 14.2386 14.2452 15.5241 15.5294 k = 0.5008 0.1501 0.1497 ( 2742 PWs) bands (ev): -45.9168 -45.9168 -22.6531 -22.6522 -22.0150 -22.0141 -21.9846 -21.9846 -14.2089 -14.2089 -6.5045 -6.5035 -5.7324 -5.7324 -5.5940 -5.5929 -0.7710 -0.7625 1.0615 1.0665 1.2553 1.2686 6.3912 6.3966 7.2544 7.2582 7.6250 7.6301 7.6457 7.6528 8.0150 8.0166 8.7596 8.7629 9.2502 9.2518 9.3620 9.3629 9.4251 9.4264 13.3963 13.3974 14.1749 14.1790 14.2448 14.2514 15.6018 15.6070 k = 0.5008 0.1590 0.1586 ( 2746 PWs) bands (ev): -45.9168 -45.9168 -22.6537 -22.6529 -22.0154 -22.0144 -21.9859 -21.9858 -14.2054 -14.2054 -6.4807 -6.4796 -5.7281 -5.7280 -5.6007 -5.5996 -0.7839 -0.7744 1.0379 1.0434 1.2441 1.2592 6.3872 6.3923 7.2125 7.2139 7.6081 7.6151 7.6321 7.6380 8.0056 8.0075 8.6988 8.7020 9.2588 9.2603 9.3969 9.3975 9.4609 9.4614 13.4473 13.4484 14.1842 14.1884 14.2522 14.2587 15.6815 15.6866 k = 0.5009 0.1679 0.1675 ( 2744 PWs) bands (ev): -45.9167 -45.9167 -22.6544 -22.6535 -22.0157 -22.0148 -21.9871 -21.9871 -14.2019 -14.2019 -6.4559 -6.4547 -5.7236 -5.7235 -5.6071 -5.6060 -0.7979 -0.7874 1.0129 1.0189 1.2314 1.2484 6.3835 6.3881 7.1732 7.1743 7.5898 7.5991 7.6167 7.6220 7.9969 7.9989 8.6385 8.6415 9.2629 9.2641 9.4388 9.4395 9.4957 9.4958 13.4991 13.5003 14.1946 14.1988 14.2606 14.2670 15.7627 15.7678 k = 0.5009 0.1768 0.1763 ( 2746 PWs) bands (ev): -45.9167 -45.9167 -22.6551 -22.6541 -22.0161 -22.0151 -21.9884 -21.9884 -14.1982 -14.1982 -6.4301 -6.4288 -5.7190 -5.7189 -5.6133 -5.6122 -0.8130 -0.8014 0.9868 0.9933 1.2170 1.2359 6.3800 6.3840 7.1367 7.1402 7.5701 7.5820 7.5992 7.6042 7.9887 7.9908 8.5791 8.5819 9.2672 9.2682 9.4833 9.4841 9.5294 9.5297 13.5514 13.5526 14.2060 14.2101 14.2703 14.2765 15.8452 15.8502 k = 0.5010 0.1857 0.1852 ( 2738 PWs) bands (ev): -45.9166 -45.9166 -22.6557 -22.6548 -22.0165 -22.0154 -21.9897 -21.9896 -14.1945 -14.1945 -6.4034 -6.4021 -5.7142 -5.7141 -5.6192 -5.6180 -0.8291 -0.8164 0.9598 0.9666 1.2007 1.2215 6.3766 6.3799 7.1046 7.1107 7.5490 7.5636 7.5796 7.5843 7.9808 7.9830 8.5213 8.5238 9.2739 9.2747 9.5280 9.5291 9.5628 9.5633 13.6040 13.6054 14.2184 14.2225 14.2810 14.2872 15.9287 15.9335 k = 0.5010 0.1946 0.1941 ( 2734 PWs) bands (ev): -45.9166 -45.9166 -22.6564 -22.6555 -22.0168 -22.0158 -21.9910 -21.9910 -14.1907 -14.1906 -6.3759 -6.3745 -5.7093 -5.7092 -5.6247 -5.6234 -0.8463 -0.8324 0.9318 0.9391 1.1824 1.2051 6.3733 6.3758 7.0772 7.0860 7.5264 7.5436 7.5580 7.5622 7.9730 7.9754 8.4657 8.4679 9.2838 9.2845 9.5710 9.5725 9.5969 9.5973 13.6568 13.6582 14.2318 14.2359 14.2929 14.2989 16.0128 16.0175 k = 0.5011 0.2035 0.2030 ( 2736 PWs) bands (ev): -45.9165 -45.9165 -22.6572 -22.6562 -22.0172 -22.0161 -21.9924 -21.9924 -14.1868 -14.1867 -6.3477 -6.3461 -5.7043 -5.7041 -5.6297 -5.6284 -0.8644 -0.8494 0.9032 0.9108 1.1619 1.1865 6.3700 6.3717 7.0547 7.0663 7.5021 7.5215 7.5347 7.5379 7.9654 7.9678 8.4129 8.4148 9.2973 9.2978 9.6098 9.6117 9.6338 9.6341 13.7096 13.7110 14.2462 14.2503 14.3060 14.3118 16.0972 16.1019 k = 0.5011 0.2124 0.2119 ( 2736 PWs) bands (ev): -45.9165 -45.9165 -22.6579 -22.6569 -22.0176 -22.0165 -21.9938 -21.9938 -14.1828 -14.1828 -6.3188 -6.3171 -5.6993 -5.6990 -5.6342 -5.6329 -0.8834 -0.8673 0.8740 0.8819 1.1392 1.1657 6.3667 6.3675 7.0371 7.0518 7.4762 7.4970 7.5100 7.5114 7.9579 7.9603 8.3636 8.3651 9.3145 9.3148 9.6434 9.6457 9.6742 9.6744 13.7621 13.7635 14.2615 14.2655 14.3202 14.3258 16.1816 16.1861 k = 0.5012 0.2213 0.2207 ( 2731 PWs) bands (ev): -45.9164 -45.9164 -22.6587 -22.6576 -22.0180 -22.0169 -21.9952 -21.9952 -14.1788 -14.1788 -6.2892 -6.2874 -5.6942 -5.6939 -5.6382 -5.6368 -0.9034 -0.8861 0.8443 0.8526 1.1143 1.1425 6.3632 6.3632 7.0244 7.0424 7.4484 7.4697 7.4827 7.4844 7.9503 7.9528 8.3183 8.3195 9.3353 9.3355 9.6740 9.6764 9.7158 9.7162 13.8142 13.8157 14.2777 14.2817 14.3354 14.3409 16.2657 16.2701 k = 0.5012 0.2302 0.2296 ( 2729 PWs) bands (ev): -45.9164 -45.9164 -22.6594 -22.6584 -22.0184 -22.0172 -21.9967 -21.9966 -14.1748 -14.1748 -6.2591 -6.2572 -5.6891 -5.6887 -5.6416 -5.6402 -0.9241 -0.9057 0.8143 0.8228 1.0871 1.1171 6.3586 6.3594 7.0162 7.0379 7.4190 7.4399 7.4522 7.4579 7.9427 7.9451 8.2774 8.2784 9.3595 9.3596 9.7030 9.7055 9.7572 9.7578 13.8657 13.8673 14.2948 14.2987 14.3517 14.3571 16.3490 16.3533 k = 0.5013 0.2391 0.2385 ( 2730 PWs) bands (ev): -45.9163 -45.9163 -22.6602 -22.6591 -22.0188 -22.0176 -21.9981 -21.9980 -14.1707 -14.1707 -6.2286 -6.2266 -5.6840 -5.6835 -5.6444 -5.6429 -0.9457 -0.9261 0.7840 0.7928 1.0578 1.0893 6.3538 6.3553 7.0122 7.0379 7.3880 7.4079 7.4201 7.4306 7.9351 7.9373 8.2413 8.2422 9.3871 9.3871 9.7310 9.7336 9.7977 9.7983 13.9166 13.9181 14.3126 14.3165 14.3690 14.3742 16.4313 16.4354 k = 0.5013 0.2480 0.2474 ( 2729 PWs) bands (ev): -45.9162 -45.9162 -22.6609 -22.6599 -22.0192 -22.0180 -21.9995 -21.9994 -14.1667 -14.1667 -6.1977 -6.1956 -5.6790 -5.6783 -5.6465 -5.6448 -0.9679 -0.9472 0.7536 0.7626 1.0264 1.0595 6.3487 6.3507 7.0117 7.0417 7.3559 7.3743 7.3869 7.4031 7.9275 7.9294 8.2103 8.2111 9.4176 9.4177 9.7583 9.7610 9.8370 9.8377 13.9665 13.9681 14.3313 14.3350 14.3872 14.3922 16.5121 16.5161 k = 0.5013 0.2569 0.2563 ( 2726 PWs) bands (ev): -45.9162 -45.9162 -22.6617 -22.6606 -22.0195 -22.0184 -22.0009 -22.0008 -14.1626 -14.1626 -6.1665 -6.1643 -5.6741 -5.6733 -5.6479 -5.6460 -0.9907 -0.9690 0.7232 0.7324 0.9930 1.0275 6.3431 6.3455 7.0135 7.0483 7.3231 7.3393 7.3534 7.3761 7.9202 7.9216 8.1842 8.1850 9.4508 9.4510 9.7850 9.7878 9.8748 9.8756 14.0155 14.0171 14.3506 14.3542 14.4063 14.4110 16.5910 16.5949 k = 0.5014 0.2658 0.2652 ( 2728 PWs) bands (ev): -45.9161 -45.9161 -22.6625 -22.6614 -22.0199 -22.0188 -22.0024 -22.0023 -14.1586 -14.1586 -6.1351 -6.1328 -5.6696 -5.6685 -5.6484 -5.6463 -1.0140 -0.9914 0.6929 0.7022 0.9579 0.9937 6.3370 6.3398 7.0161 7.0557 7.2903 7.3033 7.3212 7.3513 7.9133 7.9138 8.1628 8.1637 9.4865 9.4868 9.8113 9.8142 9.9112 9.9121 14.0634 14.0650 14.3706 14.3741 14.4261 14.4306 16.6675 16.6713 k = 0.5014 0.2748 0.2740 ( 2728 PWs) bands (ev): -45.9161 -45.9161 -22.6632 -22.6622 -22.0203 -22.0193 -22.0038 -22.0037 -14.1546 -14.1546 -6.1036 -6.1013 -5.6654 -5.6641 -5.6479 -5.6456 -1.0378 -1.0142 0.6628 0.6721 0.9212 0.9581 6.3303 6.3333 7.0174 7.0609 7.2576 7.2667 7.2937 7.3306 7.9065 7.9071 8.1458 8.1467 9.5244 9.5247 9.8373 9.8402 9.9461 9.9470 14.1101 14.1117 14.3911 14.3945 14.4465 14.4508 16.7413 16.7449 k = 0.5015 0.2837 0.2829 ( 2734 PWs) bands (ev): -45.9160 -45.9160 -22.6640 -22.6630 -22.0208 -22.0197 -22.0052 -22.0051 -14.1507 -14.1507 -6.0721 -6.0697 -5.6618 -5.6603 -5.6462 -5.6438 -1.0619 -1.0375 0.6329 0.6424 0.8831 0.9211 6.3230 6.3260 7.0150 7.0595 7.2242 7.2298 7.2762 7.3166 7.8998 7.9018 8.1327 8.1336 9.5640 9.5645 9.8629 9.8658 9.9793 9.9803 14.1554 14.1570 14.4122 14.4154 14.4675 14.4716 16.8116 16.8150 k = 0.5015 0.2926 0.2918 ( 2734 PWs) bands (ev): -45.9160 -45.9160 -22.6647 -22.6637 -22.0211 -22.0201 -22.0066 -22.0065 -14.1468 -14.1468 -6.0408 -6.0383 -5.6586 -5.6571 -5.6434 -5.6410 -1.0863 -1.0611 0.6035 0.6130 0.8440 0.8827 6.3149 6.3178 7.0066 7.0480 7.1895 7.1929 7.2734 7.3115 7.8941 7.8978 8.1229 8.1239 9.6052 9.6057 9.8883 9.8913 10.0109 10.0120 14.1993 14.2008 14.4337 14.4368 14.4889 14.4928 16.8778 16.8811 k = 0.5016 0.3015 0.3007 ( 2728 PWs) bands (ev): -45.9159 -45.9159 -22.6655 -22.6645 -22.0214 -22.0204 -22.0079 -22.0078 -14.1430 -14.1430 -6.0096 -6.0071 -5.6558 -5.6543 -5.6395 -5.6374 -1.1108 -1.0850 0.5746 0.5840 0.8041 0.8434 6.3058 6.3086 6.9914 7.0265 7.1539 7.1561 7.2847 7.3162 7.8895 7.8953 8.1159 8.1169 9.6477 9.6482 9.9135 9.9165 10.0409 10.0421 14.2416 14.2430 14.4557 14.4586 14.5106 14.5142 16.9394 16.9425 k = 0.5016 0.3104 0.3096 ( 2732 PWs) bands (ev): -45.9159 -45.9159 -22.6662 -22.6652 -22.0218 -22.0209 -22.0093 -22.0091 -14.1393 -14.1393 -5.9787 -5.9762 -5.6530 -5.6517 -5.6352 -5.6332 -1.1354 -1.1090 0.5462 0.5556 0.7636 0.8033 6.2957 6.2982 6.9703 6.9983 7.1182 7.1196 7.3065 7.3298 7.8864 7.8945 8.1113 8.1123 9.6910 9.6917 9.9386 9.9415 10.0693 10.0705 14.2822 14.2835 14.4780 14.4807 14.5325 14.5359 16.9955 16.9983 k = 0.5017 0.3193 0.3184 ( 2732 PWs) bands (ev): -45.9158 -45.9158 -22.6669 -22.6659 -22.0222 -22.0213 -22.0105 -22.0104 -14.1357 -14.1357 -5.9482 -5.9457 -5.6501 -5.6488 -5.6306 -5.6287 -1.1599 -1.1331 0.5185 0.5278 0.7228 0.7628 6.2845 6.2867 6.9451 6.9669 7.0826 7.0837 7.3351 7.3504 7.8849 7.8956 8.1086 8.1095 9.7350 9.7357 9.9635 9.9664 10.0961 10.0973 14.3211 14.3223 14.5006 14.5031 14.5545 14.5576 17.0453 17.0480 k = 0.5017 0.3282 0.3273 ( 2730 PWs) bands (ev): -45.9158 -45.9158 -22.6676 -22.6666 -22.0225 -22.0216 -22.0118 -22.0116 -14.1321 -14.1321 -5.9183 -5.9158 -5.6470 -5.6457 -5.6258 -5.6241 -1.1843 -1.1572 0.4916 0.5007 0.6820 0.7221 6.2720 6.2739 6.9177 6.9344 7.0476 7.0485 7.3678 7.3759 7.8853 7.8987 8.1075 8.1083 9.7792 9.7801 9.9883 9.9911 10.1212 10.1225 14.3581 14.3592 14.5234 14.5258 14.5763 14.5793 17.0881 17.0905 k = 0.5018 0.3371 0.3362 ( 2734 PWs) bands (ev): -45.9157 -45.9157 -22.6682 -22.6673 -22.0229 -22.0220 -22.0130 -22.0128 -14.1287 -14.1287 -5.8890 -5.8866 -5.6436 -5.6423 -5.6211 -5.6195 -1.2083 -1.1811 0.4655 0.4745 0.6416 0.6814 6.2582 6.2598 6.8898 6.9026 7.0134 7.0141 7.4027 7.4044 7.8877 7.9040 8.1076 8.1084 9.8235 9.8245 10.0131 10.0158 10.1448 10.1461 14.3931 14.3940 14.5464 14.5486 14.5980 14.6007 17.1232 17.1254 k = 0.5018 0.3460 0.3451 ( 2738 PWs) bands (ev): -45.9157 -45.9157 -22.6689 -22.6680 -22.0232 -22.0224 -22.0142 -22.0140 -14.1254 -14.1254 -5.8604 -5.8581 -5.6400 -5.6385 -5.6165 -5.6149 -1.2320 -1.2048 0.4404 0.4491 0.6017 0.6411 6.2430 6.2443 6.8625 6.8722 6.9802 6.9808 7.4344 7.4383 7.8924 7.9116 8.1087 8.1095 9.8675 9.8686 10.0377 10.0403 10.1668 10.1682 14.4261 14.4268 14.5696 14.5714 14.6193 14.6219 17.1501 17.1521 k = 0.5019 0.3549 0.3540 ( 2738 PWs) bands (ev): -45.9156 -45.9156 -22.6695 -22.6687 -22.0235 -22.0228 -22.0153 -22.0151 -14.1223 -14.1223 -5.8327 -5.8306 -5.6362 -5.6345 -5.6119 -5.6103 -1.2552 -1.2282 0.4163 0.4247 0.5627 0.6014 6.2267 6.2277 6.8366 6.8439 6.9481 6.9486 7.4647 7.4735 7.8996 7.9216 8.1106 8.1114 9.9110 9.9122 10.0621 10.0646 10.1872 10.1888 14.4570 14.4575 14.5927 14.5943 14.6402 14.6425 17.1685 17.1704 k = 0.5019 0.3638 0.3629 ( 2740 PWs) bands (ev): -45.9156 -45.9156 -22.6701 -22.6693 -22.0238 -22.0232 -22.0164 -22.0161 -14.1193 -14.1193 -5.8059 -5.8040 -5.6321 -5.6302 -5.6075 -5.6059 -1.2777 -1.2511 0.3933 0.4014 0.5247 0.5626 6.2091 6.2099 6.8126 6.8181 6.9173 6.9177 7.4942 7.5072 7.9096 7.9340 8.1131 8.1139 9.9536 9.9549 10.0864 10.0887 10.2062 10.2079 14.4858 14.4861 14.6157 14.6171 14.6604 14.6626 17.1788 17.1806 k = 0.5020 0.3727 0.3717 ( 2737 PWs) bands (ev): -45.9155 -45.9155 -22.6706 -22.6699 -22.0241 -22.0235 -22.0174 -22.0171 -14.1164 -14.1164 -5.7802 -5.7786 -5.6279 -5.6258 -5.6032 -5.6016 -1.2995 -1.2734 0.3714 0.3792 0.4882 0.5249 6.1906 6.1912 6.7907 6.7948 6.8879 6.8883 7.5222 7.5385 7.9224 7.9488 8.1161 8.1170 9.9950 9.9965 10.1104 10.1126 10.2238 10.2255 14.5124 14.5126 14.6385 14.6396 14.6800 14.6820 17.1814 17.1833 k = 0.5020 0.3816 0.3806 ( 2735 PWs) bands (ev): -45.9155 -45.9155 -22.6711 -22.6704 -22.0244 -22.0239 -22.0183 -22.0180 -14.1137 -14.1137 -5.7557 -5.7544 -5.6237 -5.6212 -5.5990 -5.5975 -1.3204 -1.2950 0.3508 0.3581 0.4532 0.4885 6.1715 6.1718 6.7712 6.7742 6.8601 6.8604 7.5480 7.5669 7.9381 7.9658 8.1194 8.1204 10.0351 10.0368 10.1340 10.1360 10.2399 10.2418 14.5369 14.5369 14.6608 14.6617 14.6988 14.7005 17.1774 17.1795 k = 0.5020 0.3905 0.3895 ( 2738 PWs) bands (ev): -45.9155 -45.9155 -22.6716 -22.6709 -22.0247 -22.0242 -22.0192 -22.0188 -14.1112 -14.1112 -5.7325 -5.7316 -5.6194 -5.6165 -5.5951 -5.5935 -1.3402 -1.3157 0.3314 0.3383 0.4201 0.4538 6.1519 6.1521 6.7539 6.7561 6.8339 6.8342 7.5713 7.5918 7.9565 7.9846 8.1230 8.1241 10.0735 10.0754 10.1571 10.1590 10.2547 10.2567 14.5592 14.5594 14.6824 14.6832 14.7166 14.7182 17.1679 17.1703 k = 0.5021 0.3994 0.3984 ( 2738 PWs) bands (ev): -45.9154 -45.9154 -22.6721 -22.6714 -22.0249 -22.0246 -22.0199 -22.0196 -14.1088 -14.1088 -5.7107 -5.7103 -5.6151 -5.6118 -5.5913 -5.5898 -1.3590 -1.3356 0.3134 0.3198 0.3889 0.4209 6.1323 6.1325 6.7389 6.7405 6.8094 6.8097 7.5920 7.6131 7.9771 8.0048 8.1266 8.1279 10.1099 10.1120 10.1795 10.1813 10.2682 10.2703 14.5796 14.5799 14.7032 14.7038 14.7334 14.7348 17.1541 17.1571 k = 0.5021 0.4083 0.4073 ( 2736 PWs) bands (ev): -45.9154 -45.9154 -22.6725 -22.6719 -22.0252 -22.0249 -22.0206 -22.0203 -14.1067 -14.1067 -5.6906 -5.6905 -5.6109 -5.6071 -5.5878 -5.5862 -1.3765 -1.3544 0.2968 0.3027 0.3600 0.3899 6.1131 6.1131 6.7259 6.7270 6.7868 6.7870 7.6101 7.6310 7.9993 8.0258 8.1303 8.1319 10.1441 10.1465 10.2012 10.2028 10.2804 10.2827 14.5981 14.5985 14.7229 14.7233 14.7491 14.7504 17.1373 17.1409 k = 0.5022 0.4172 0.4161 ( 2742 PWs) bands (ev): -45.9154 -45.9154 -22.6729 -22.6724 -22.0255 -22.0252 -22.0213 -22.0209 -14.1047 -14.1047 -5.6727 -5.6719 -5.6068 -5.6024 -5.5845 -5.5829 -1.3926 -1.3720 0.2816 0.2870 0.3335 0.3611 6.0945 6.0945 6.7147 6.7155 6.7661 6.7663 7.6257 7.6458 8.0224 8.0468 8.1340 8.1359 10.1758 10.1785 10.2218 10.2233 10.2913 10.2938 14.6148 14.6152 14.7414 14.7416 14.7637 14.7647 17.1187 17.1230 k = 0.5022 0.4261 0.4250 ( 2738 PWs) bands (ev): -45.9153 -45.9153 -22.6732 -22.6727 -22.0257 -22.0255 -22.0218 -22.0214 -14.1029 -14.1029 -5.6567 -5.6551 -5.6028 -5.5979 -5.5814 -5.5798 -1.4072 -1.3883 0.2679 0.2727 0.3095 0.3347 6.0769 6.0769 6.7053 6.7059 6.7473 6.7475 7.6390 7.6577 8.0454 8.0671 8.1376 8.1400 10.2047 10.2078 10.2412 10.2427 10.3011 10.3038 14.6296 14.6302 14.7583 14.7585 14.7770 14.7779 17.0992 17.1041 k = 0.5023 0.4350 0.4339 ( 2740 PWs) bands (ev): -45.9153 -45.9153 -22.6735 -22.6731 -22.0260 -22.0259 -22.0223 -22.0219 -14.1013 -14.1013 -5.6427 -5.6402 -5.5990 -5.5934 -5.5785 -5.5770 -1.4203 -1.4031 0.2557 0.2599 0.2883 0.3108 6.0606 6.0607 6.6974 6.6978 6.7306 6.7308 7.6503 7.6672 8.0675 8.0861 8.1411 8.1443 10.2306 10.2340 10.2593 10.2608 10.3098 10.3127 14.6428 14.6433 14.7737 14.7737 14.7889 14.7897 17.0798 17.0848 k = 0.5023 0.4440 0.4428 ( 2746 PWs) bands (ev): -45.9153 -45.9153 -22.6738 -22.6734 -22.0262 -22.0261 -22.0227 -22.0224 -14.0999 -14.0999 -5.6308 -5.6276 -5.5951 -5.5890 -5.5758 -5.5745 -1.4317 -1.4165 0.2451 0.2486 0.2698 0.2894 6.0460 6.0460 6.6909 6.6911 6.7160 6.7161 7.6599 7.6747 8.0880 8.1028 8.1445 8.1488 10.2531 10.2570 10.2758 10.2773 10.3173 10.3205 14.6542 14.6547 14.7872 14.7872 14.7996 14.8001 17.0612 17.0655 k = 0.5024 0.4529 0.4517 ( 2750 PWs) bands (ev): -45.9153 -45.9153 -22.6740 -22.6737 -22.0265 -22.0264 -22.0230 -22.0227 -14.0987 -14.0987 -5.6211 -5.6173 -5.5912 -5.5849 -5.5734 -5.5722 -1.4413 -1.4282 0.2362 0.2389 0.2542 0.2708 6.0331 6.0331 6.6856 6.6857 6.7035 6.7036 7.6678 7.6805 8.1060 8.1165 8.1481 8.1538 10.2721 10.2763 10.2906 10.2921 10.3239 10.3272 14.6639 14.6643 14.7987 14.7988 14.8088 14.8092 17.0443 17.0468 k = 0.5024 0.4618 0.4606 ( 2762 PWs) bands (ev): -45.9153 -45.9153 -22.6743 -22.6740 -22.0267 -22.0267 -22.0233 -22.0231 -14.0977 -14.0977 -5.6136 -5.6097 -5.5870 -5.5811 -5.5712 -5.5702 -1.4491 -1.4383 0.2288 0.2307 0.2416 0.2551 6.0223 6.0223 6.6813 6.6814 6.6931 6.6932 7.6743 7.6847 8.1207 8.1269 8.1522 8.1593 10.2874 10.2916 10.3038 10.3050 10.3296 10.3330 14.6719 14.6723 14.8082 14.8084 14.8167 14.8169 17.0294 17.0304 k = 0.5025 0.4707 0.4694 ( 2780 PWs) bands (ev): -45.9153 -45.9153 -22.6745 -22.6743 -22.0269 -22.0269 -22.0236 -22.0234 -14.0969 -14.0969 -5.6080 -5.6046 -5.5828 -5.5780 -5.5692 -5.5686 -1.4550 -1.4465 0.2230 0.2242 0.2321 0.2423 6.0136 6.0136 6.6781 6.6782 6.6850 6.6850 7.6795 7.6876 8.1312 8.1339 8.1571 8.1647 10.2991 10.3027 10.3147 10.3155 10.3346 10.3378 14.6782 14.6785 14.8156 14.8158 14.8231 14.8231 17.0170 17.0173 k = 0.5025 0.4796 0.4783 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6746 -22.6745 -22.0272 -22.0271 -22.0238 -22.0236 -14.0963 -14.0963 -5.6041 -5.6016 -5.5792 -5.5758 -5.5675 -5.5673 -1.4590 -1.4529 0.2189 0.2194 0.2256 0.2325 6.0072 6.0072 6.6758 6.6758 6.6790 6.6791 7.6836 7.6893 8.1376 8.1383 8.1626 8.1692 10.3075 10.3102 10.3229 10.3232 10.3388 10.3414 14.6827 14.6830 14.8208 14.8210 14.8279 14.8279 17.0075 17.0084 k = 0.5026 0.4885 0.4872 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6746 -22.0272 -22.0272 -22.0238 -22.0237 -14.0960 -14.0960 -5.6017 -5.6002 -5.5766 -5.5746 -5.5664 -5.5663 -1.4610 -1.4574 0.2163 0.2164 0.2219 0.2259 6.0032 6.0032 6.6742 6.6743 6.6755 6.6755 7.6865 7.6899 8.1408 8.1409 8.1674 8.1716 10.3127 10.3144 10.3280 10.3280 10.3420 10.3438 14.6856 14.6858 14.8240 14.8241 14.8309 14.8309 17.0020 17.0024 k = 0.5026 0.4974 0.4961 ( 2800 PWs) bands (ev): -45.9153 -45.9153 -22.6747 -22.6747 -22.0273 -22.0273 -22.0238 -22.0238 -14.0959 -14.0959 -5.6004 -5.6000 -5.5751 -5.5746 -5.5658 -5.5658 -1.4610 -1.4599 0.2153 0.2153 0.2213 0.2224 6.0017 6.0017 6.6734 6.6734 6.6744 6.6744 7.6884 7.6894 8.1420 8.1420 8.1702 8.1716 10.3150 10.3156 10.3299 10.3299 10.3439 10.3444 14.6868 14.6869 14.8253 14.8253 14.8321 14.8321 17.0001 17.0002 Writing output data file BaTiO3.save init_run : 5.52s CPU 12.85s WALL ( 1 calls) electrons : 649.11s CPU 656.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 1.03s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 649.07s CPU 656.31s WALL ( 1 calls) v_of_rho : 0.29s CPU 1.01s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.24s CPU 0.64s WALL ( 1 calls) newd : 0.53s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 328 calls) cegterg : 627.01s CPU 631.34s WALL ( 1142 calls) Called by sum_band: Called by *egterg: h_psi : 211.10s CPU 222.42s WALL ( 21433 calls) s_psi : 24.64s CPU 25.05s WALL ( 21433 calls) g_psi : 0.46s CPU 0.54s WALL ( 19963 calls) cdiaghg : 296.16s CPU 290.83s WALL ( 20291 calls) cegterg:over : 50.01s CPU 47.37s WALL ( 19963 calls) cegterg:upda : 5.59s CPU 9.39s WALL ( 19963 calls) cegterg:last : 5.71s CPU 6.66s WALL ( 2503 calls) Called by h_psi: h_psi:vloc : 162.65s CPU 172.40s WALL ( 21433 calls) h_psi:vnl : 48.28s CPU 49.36s WALL ( 21433 calls) add_vuspsi : 14.87s CPU 18.41s WALL ( 21433 calls) General routines calbec : 33.34s CPU 30.81s WALL ( 21433 calls) fft : 0.98s CPU 1.73s WALL ( 19 calls) ffts : 0.53s CPU 0.56s WALL ( 4 calls) fftw : 151.39s CPU 157.72s WALL ( 1394644 calls) interpolate : 0.59s CPU 0.66s WALL ( 4 calls) davcio : 0.07s CPU 1.54s WALL ( 656 calls) Parallel routines fft_scatter : 110.05s CPU 113.99s WALL ( 1394667 calls) PWSCF : 11m36.42s CPU 12m47.63s WALL This run was terminated on: 2:53: 4 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=