Program PWSCF v.5.1.1 starts on 11Oct2015 at 15:45:29 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 2106 447 76 Max 55 20 7 2111 469 80 Sum 2617 949 293 101205 22011 3743 bravais-lattice index = 14 lattice parameter (alat) = 7.5697 a.u. unit-cell volume = 433.7376 (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)= 7.569675 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002688 celldm(5)= 0.002688 celldm(6)= 0.002688 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002688 0.999996 0.000000 ) a(3) = ( 0.002688 0.002681 0.999993 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002688 -0.002681 ) b(2) = ( 0.000000 1.000004 -0.002681 ) 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 -0.0000336 -0.0000335), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000672 -0.0000670), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001008 -0.0001005), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001344 -0.0001340), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001680 -0.0001675), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002016 -0.0002010), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002352 -0.0002346), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002688 -0.0002681), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003024 -0.0003016), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003360 -0.0003351), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003696 -0.0003686), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004032 -0.0004021), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004368 -0.0004356), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004704 -0.0004691), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005040 -0.0005026), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005376 -0.0005361), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005712 -0.0005696), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006048 -0.0006031), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006384 -0.0006366), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006720 -0.0006702), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007056 -0.0007037), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007391 -0.0007372), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0007727 -0.0007707), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008063 -0.0008042), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008399 -0.0008377), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0008735 -0.0008712), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009071 -0.0009047), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009407 -0.0009382), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0009743 -0.0009717), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010079 -0.0010052), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010415 -0.0010387), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0010751 -0.0010722), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011087 -0.0011058), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0011423 -0.0011393), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0011759 -0.0011728), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012095 -0.0012063), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0012431 -0.0012398), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0012767 -0.0012733), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013103 -0.0013068), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0013439 -0.0013403), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0013439 -0.0013403), wk = 0.0030488 k( 43) = ( 0.5000000 0.0075370 -0.0102450), wk = 0.0030488 k( 44) = ( 0.5000000 0.0164178 -0.0191497), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252987 -0.0280544), wk = 0.0030488 k( 46) = ( 0.5000000 0.0341796 -0.0369591), wk = 0.0030488 k( 47) = ( 0.5000000 0.0430604 -0.0458638), wk = 0.0030488 k( 48) = ( 0.5000000 0.0519413 -0.0547685), wk = 0.0030488 k( 49) = ( 0.5000000 0.0608221 -0.0636732), wk = 0.0030488 k( 50) = ( 0.5000000 0.0697030 -0.0725779), wk = 0.0030488 k( 51) = ( 0.5000000 0.0785839 -0.0814826), wk = 0.0030488 k( 52) = ( 0.5000000 0.0874647 -0.0903873), wk = 0.0030488 k( 53) = ( 0.5000000 0.0963456 -0.0992920), wk = 0.0030488 k( 54) = ( 0.5000000 0.1052265 -0.1081967), wk = 0.0030488 k( 55) = ( 0.5000000 0.1141073 -0.1171014), wk = 0.0030488 k( 56) = ( 0.5000000 0.1229882 -0.1260061), wk = 0.0030488 k( 57) = ( 0.5000000 0.1318690 -0.1349108), wk = 0.0030488 k( 58) = ( 0.5000000 0.1407499 -0.1438155), wk = 0.0030488 k( 59) = ( 0.5000000 0.1496308 -0.1527202), wk = 0.0030488 k( 60) = ( 0.5000000 0.1585116 -0.1616249), wk = 0.0030488 k( 61) = ( 0.5000000 0.1673925 -0.1705296), wk = 0.0030488 k( 62) = ( 0.5000000 0.1762734 -0.1794343), wk = 0.0030488 k( 63) = ( 0.5000000 0.1851542 -0.1883390), wk = 0.0030488 k( 64) = ( 0.5000000 0.1940351 -0.1972437), wk = 0.0030488 k( 65) = ( 0.5000000 0.2029160 -0.2061485), wk = 0.0030488 k( 66) = ( 0.5000000 0.2117968 -0.2150532), wk = 0.0030488 k( 67) = ( 0.5000000 0.2206777 -0.2239579), wk = 0.0030488 k( 68) = ( 0.5000000 0.2295585 -0.2328626), wk = 0.0030488 k( 69) = ( 0.5000000 0.2384394 -0.2417673), wk = 0.0030488 k( 70) = ( 0.5000000 0.2473203 -0.2506720), wk = 0.0030488 k( 71) = ( 0.5000000 0.2562011 -0.2595767), wk = 0.0030488 k( 72) = ( 0.5000000 0.2650820 -0.2684814), wk = 0.0030488 k( 73) = ( 0.5000000 0.2739629 -0.2773861), wk = 0.0030488 k( 74) = ( 0.5000000 0.2828437 -0.2862908), wk = 0.0030488 k( 75) = ( 0.5000000 0.2917246 -0.2951955), wk = 0.0030488 k( 76) = ( 0.5000000 0.3006055 -0.3041002), wk = 0.0030488 k( 77) = ( 0.5000000 0.3094863 -0.3130049), wk = 0.0030488 k( 78) = ( 0.5000000 0.3183672 -0.3219096), wk = 0.0030488 k( 79) = ( 0.5000000 0.3272481 -0.3308143), wk = 0.0030488 k( 80) = ( 0.5000000 0.3361289 -0.3397190), wk = 0.0030488 k( 81) = ( 0.5000000 0.3450098 -0.3486237), wk = 0.0030488 k( 82) = ( 0.5000000 0.3538906 -0.3575284), wk = 0.0030488 k( 83) = ( 0.5000000 0.3627715 -0.3664331), wk = 0.0030488 k( 84) = ( 0.5000000 0.3716524 -0.3753378), wk = 0.0030488 k( 85) = ( 0.5000000 0.3805332 -0.3842425), wk = 0.0030488 k( 86) = ( 0.5000000 0.3894141 -0.3931472), wk = 0.0030488 k( 87) = ( 0.5000000 0.3982950 -0.4020519), wk = 0.0030488 k( 88) = ( 0.5000000 0.4071758 -0.4109566), wk = 0.0030488 k( 89) = ( 0.5000000 0.4160567 -0.4198613), wk = 0.0030488 k( 90) = ( 0.5000000 0.4249376 -0.4287660), wk = 0.0030488 k( 91) = ( 0.5000000 0.4338184 -0.4376707), wk = 0.0030488 k( 92) = ( 0.5000000 0.4426993 -0.4465754), wk = 0.0030488 k( 93) = ( 0.5000000 0.4515801 -0.4554801), wk = 0.0030488 k( 94) = ( 0.5000000 0.4604610 -0.4643848), wk = 0.0030488 k( 95) = ( 0.5000000 0.4693419 -0.4732895), wk = 0.0030488 k( 96) = ( 0.5000000 0.4782227 -0.4821942), wk = 0.0030488 k( 97) = ( 0.5000000 0.4871036 -0.4910989), wk = 0.0030488 k( 98) = ( 0.5000000 0.4959845 -0.5000036), wk = 0.0030488 k( 99) = ( 0.5026734 0.4986507 0.4946424), wk = 0.0030488 k( 100) = ( 0.5000000 0.4986579 0.4973230), wk = 0.0030488 k( 101) = ( 0.5000000 0.4986579 0.4973230), wk = 0.0030488 k( 102) = ( 0.4926471 0.4913247 0.4900094), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839915 0.4826958), wk = 0.0030488 k( 104) = ( 0.4779412 0.4766583 0.4753823), wk = 0.0030488 k( 105) = ( 0.4705882 0.4693251 0.4680687), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619919 0.4607551), wk = 0.0030488 k( 107) = ( 0.4558823 0.4546587 0.4534415), wk = 0.0030488 k( 108) = ( 0.4485294 0.4473255 0.4461280), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399923 0.4388144), wk = 0.0030488 k( 110) = ( 0.4338235 0.4326591 0.4315008), wk = 0.0030488 k( 111) = ( 0.4264706 0.4253259 0.4241873), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179927 0.4168737), wk = 0.0030488 k( 113) = ( 0.4117647 0.4106595 0.4095601), wk = 0.0030488 k( 114) = ( 0.4044118 0.4033262 0.4022465), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959930 0.3949330), wk = 0.0030488 k( 116) = ( 0.3897059 0.3886598 0.3876194), wk = 0.0030488 k( 117) = ( 0.3823529 0.3813266 0.3803058), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739934 0.3729922), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666602 0.3656787), wk = 0.0030488 k( 120) = ( 0.3602941 0.3593270 0.3583651), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519938 0.3510515), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446606 0.3437379), wk = 0.0030488 k( 123) = ( 0.3382353 0.3373274 0.3364244), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299942 0.3291108), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226610 0.3217972), wk = 0.0030488 k( 126) = ( 0.3161765 0.3153278 0.3144837), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079946 0.3071701), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006614 0.2998565), wk = 0.0030488 k( 129) = ( 0.2941177 0.2933282 0.2925429), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859950 0.2852294), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786618 0.2779158), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713286 0.2706022), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639954 0.2632886), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566622 0.2559751), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493289 0.2486615), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419957 0.2413479), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346625 0.2340343), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273293 0.2267208), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199961 0.2194072), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126629 0.2120936), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053297 0.2047800), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979965 0.1974665), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906633 0.1901529), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833301 0.1828393), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759969 0.1755258), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686637 0.1682122), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613305 0.1608986), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539973 0.1535850), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466641 0.1462715), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393309 0.1389579), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319977 0.1316443), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246645 0.1243307), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173313 0.1170172), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099981 0.1097036), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026649 0.1023900), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953317 0.0950765), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879984 0.0877629), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806652 0.0804493), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733320 0.0731357), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659988 0.0658222), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586656 0.0585086), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513324 0.0511950), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439992 0.0438814), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366660 0.0365679), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293328 0.0292543), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219996 0.0219407), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146664 0.0146271), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073332 0.0073136), 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) = ( 0.0089047 -0.0000239 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178094 -0.0000479 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267141 -0.0000718 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356188 -0.0000957 -0.0357145), wk = 0.0030488 k( 175) = ( 0.0445235 -0.0001197 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534282 -0.0001436 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623329 -0.0001675 -0.0625004), wk = 0.0030488 k( 178) = ( 0.0712376 -0.0001915 -0.0714291), wk = 0.0030488 k( 179) = ( 0.0801423 -0.0002154 -0.0803577), wk = 0.0030488 k( 180) = ( 0.0890470 -0.0002393 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979517 -0.0002633 -0.0982150), wk = 0.0030488 k( 182) = ( 0.1068564 -0.0002872 -0.1071436), wk = 0.0030488 k( 183) = ( 0.1157611 -0.0003111 -0.1160723), wk = 0.0030488 k( 184) = ( 0.1246658 -0.0003351 -0.1250009), wk = 0.0030488 k( 185) = ( 0.1335705 -0.0003590 -0.1339295), wk = 0.0030488 k( 186) = ( 0.1424752 -0.0003829 -0.1428582), wk = 0.0030488 k( 187) = ( 0.1513799 -0.0004069 -0.1517868), wk = 0.0030488 k( 188) = ( 0.1602846 -0.0004308 -0.1607154), wk = 0.0030488 k( 189) = ( 0.1691893 -0.0004547 -0.1696441), wk = 0.0030488 k( 190) = ( 0.1780940 -0.0004787 -0.1785727), wk = 0.0030488 k( 191) = ( 0.1869987 -0.0005026 -0.1875013), wk = 0.0030488 k( 192) = ( 0.1959034 -0.0005266 -0.1964300), wk = 0.0030488 k( 193) = ( 0.2048081 -0.0005505 -0.2053586), wk = 0.0030488 k( 194) = ( 0.2137128 -0.0005744 -0.2142873), wk = 0.0030488 k( 195) = ( 0.2226175 -0.0005984 -0.2232159), wk = 0.0030488 k( 196) = ( 0.2315222 -0.0006223 -0.2321445), wk = 0.0030488 k( 197) = ( 0.2404269 -0.0006462 -0.2410732), wk = 0.0030488 k( 198) = ( 0.2493316 -0.0006702 -0.2500018), wk = 0.0030488 k( 199) = ( 0.2582363 -0.0006941 -0.2589304), wk = 0.0030488 k( 200) = ( 0.2671410 -0.0007180 -0.2678591), wk = 0.0030488 k( 201) = ( 0.2760457 -0.0007420 -0.2767877), wk = 0.0030488 k( 202) = ( 0.2849505 -0.0007659 -0.2857163), wk = 0.0030488 k( 203) = ( 0.2938552 -0.0007898 -0.2946450), wk = 0.0030488 k( 204) = ( 0.3027598 -0.0008138 -0.3035736), wk = 0.0030488 k( 205) = ( 0.3116645 -0.0008377 -0.3125022), wk = 0.0030488 k( 206) = ( 0.3205692 -0.0008616 -0.3214309), wk = 0.0030488 k( 207) = ( 0.3294740 -0.0008856 -0.3303595), wk = 0.0030488 k( 208) = ( 0.3383787 -0.0009095 -0.3392882), wk = 0.0030488 k( 209) = ( 0.3472834 -0.0009334 -0.3482168), wk = 0.0030488 k( 210) = ( 0.3561881 -0.0009574 -0.3571454), wk = 0.0030488 k( 211) = ( 0.3650928 -0.0009813 -0.3660741), wk = 0.0030488 k( 212) = ( 0.3739975 -0.0010052 -0.3750027), wk = 0.0030488 k( 213) = ( 0.3829022 -0.0010292 -0.3839313), wk = 0.0030488 k( 214) = ( 0.3918069 -0.0010531 -0.3928600), wk = 0.0030488 k( 215) = ( 0.4007116 -0.0010770 -0.4017886), wk = 0.0030488 k( 216) = ( 0.4096163 -0.0011010 -0.4107172), wk = 0.0030488 k( 217) = ( 0.4185210 -0.0011249 -0.4196459), wk = 0.0030488 k( 218) = ( 0.4274257 -0.0011488 -0.4285745), wk = 0.0030488 k( 219) = ( 0.4363304 -0.0011728 -0.4375031), wk = 0.0030488 k( 220) = ( 0.4452351 -0.0011967 -0.4464318), wk = 0.0030488 k( 221) = ( 0.4541398 -0.0012206 -0.4553604), wk = 0.0030488 k( 222) = ( 0.4630445 -0.0012446 -0.4642891), wk = 0.0030488 k( 223) = ( 0.4719492 -0.0012685 -0.4732177), wk = 0.0030488 k( 224) = ( 0.4808539 -0.0012924 -0.4821463), wk = 0.0030488 k( 225) = ( 0.4897586 -0.0013164 -0.4910750), wk = 0.0030488 k( 226) = ( 0.4986633 -0.0013403 -0.5000036), wk = 0.0030488 k( 227) = ( 0.5013367 0.4973176 -0.0026806), wk = 0.0030488 k( 228) = ( 0.5000000 0.4986579 -0.0026806), wk = 0.0030488 k( 229) = ( 0.5000000 0.4986579 -0.0026806), wk = 0.0030488 k( 230) = ( 0.5000334 0.4986912 0.0097525), wk = 0.0030488 k( 231) = ( 0.5000668 0.4987246 0.0221855), wk = 0.0030488 k( 232) = ( 0.5001003 0.4987579 0.0346186), wk = 0.0030488 k( 233) = ( 0.5001337 0.4987912 0.0470517), wk = 0.0030488 k( 234) = ( 0.5001671 0.4988245 0.0594848), wk = 0.0030488 k( 235) = ( 0.5002005 0.4988579 0.0719178), wk = 0.0030488 k( 236) = ( 0.5002339 0.4988912 0.0843509), wk = 0.0030488 k( 237) = ( 0.5002673 0.4989245 0.0967840), wk = 0.0030488 k( 238) = ( 0.5003008 0.4989579 0.1092171), wk = 0.0030488 k( 239) = ( 0.5003342 0.4989912 0.1216501), wk = 0.0030488 k( 240) = ( 0.5003676 0.4990245 0.1340832), wk = 0.0030488 k( 241) = ( 0.5004010 0.4990578 0.1465163), wk = 0.0030488 k( 242) = ( 0.5004344 0.4990912 0.1589493), wk = 0.0030488 k( 243) = ( 0.5004679 0.4991245 0.1713824), wk = 0.0030488 k( 244) = ( 0.5005013 0.4991578 0.1838155), wk = 0.0030488 k( 245) = ( 0.5005347 0.4991912 0.1962486), wk = 0.0030488 k( 246) = ( 0.5005681 0.4992245 0.2086816), wk = 0.0030488 k( 247) = ( 0.5006015 0.4992578 0.2211147), wk = 0.0030488 k( 248) = ( 0.5006349 0.4992911 0.2335478), wk = 0.0030488 k( 249) = ( 0.5006684 0.4993245 0.2459809), wk = 0.0030488 k( 250) = ( 0.5007018 0.4993578 0.2584140), wk = 0.0030488 k( 251) = ( 0.5007352 0.4993911 0.2708470), wk = 0.0030488 k( 252) = ( 0.5007686 0.4994244 0.2832801), wk = 0.0030488 k( 253) = ( 0.5008020 0.4994578 0.2957132), wk = 0.0030488 k( 254) = ( 0.5008354 0.4994911 0.3081462), wk = 0.0030488 k( 255) = ( 0.5008689 0.4995244 0.3205793), wk = 0.0030488 k( 256) = ( 0.5009023 0.4995578 0.3330124), wk = 0.0030488 k( 257) = ( 0.5009357 0.4995911 0.3454455), wk = 0.0030488 k( 258) = ( 0.5009691 0.4996244 0.3578785), wk = 0.0030488 k( 259) = ( 0.5010025 0.4996577 0.3703116), wk = 0.0030488 k( 260) = ( 0.5010360 0.4996911 0.3827447), wk = 0.0030488 k( 261) = ( 0.5010694 0.4997244 0.3951778), wk = 0.0030488 k( 262) = ( 0.5011028 0.4997577 0.4076108), wk = 0.0030488 k( 263) = ( 0.5011362 0.4997911 0.4200439), wk = 0.0030488 k( 264) = ( 0.5011696 0.4998244 0.4324770), wk = 0.0030488 k( 265) = ( 0.5012030 0.4998577 0.4449101), wk = 0.0030488 k( 266) = ( 0.5012365 0.4998910 0.4573431), wk = 0.0030488 k( 267) = ( 0.5012699 0.4999244 0.4697762), wk = 0.0030488 k( 268) = ( 0.5013033 0.4999577 0.4822093), wk = 0.0030488 k( 269) = ( 0.5013367 0.4999910 0.4946424), wk = 0.0030488 k( 270) = ( 0.5013367 0.4999910 0.4946424), wk = 0.0030488 k( 271) = ( 0.5000000 0.4986579 0.4973230), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0013439 -0.0013403), wk = 0.0030488 k( 273) = ( 0.5000477 0.0075607 0.0075405), wk = 0.0030488 k( 274) = ( 0.5000955 0.0164653 0.0164212), wk = 0.0030488 k( 275) = ( 0.5001432 0.0253699 0.0253020), wk = 0.0030488 k( 276) = ( 0.5001910 0.0342745 0.0341828), wk = 0.0030488 k( 277) = ( 0.5002387 0.0431791 0.0430635), wk = 0.0030488 k( 278) = ( 0.5002864 0.0520837 0.0519443), wk = 0.0030488 k( 279) = ( 0.5003342 0.0609883 0.0608251), wk = 0.0030488 k( 280) = ( 0.5003819 0.0698929 0.0697058), wk = 0.0030488 k( 281) = ( 0.5004297 0.0787975 0.0785866), wk = 0.0030488 k( 282) = ( 0.5004774 0.0877021 0.0874674), wk = 0.0030488 k( 283) = ( 0.5005251 0.0966068 0.0963481), wk = 0.0030488 k( 284) = ( 0.5005729 0.1055114 0.1052289), wk = 0.0030488 k( 285) = ( 0.5006206 0.1144160 0.1141097), wk = 0.0030488 k( 286) = ( 0.5006684 0.1233206 0.1229904), wk = 0.0030488 k( 287) = ( 0.5007161 0.1322252 0.1318712), wk = 0.0030488 k( 288) = ( 0.5007638 0.1411298 0.1407520), wk = 0.0030488 k( 289) = ( 0.5008116 0.1500344 0.1496327), wk = 0.0030488 k( 290) = ( 0.5008593 0.1589390 0.1585135), wk = 0.0030488 k( 291) = ( 0.5009071 0.1678436 0.1673943), wk = 0.0030488 k( 292) = ( 0.5009548 0.1767482 0.1762750), wk = 0.0030488 k( 293) = ( 0.5010025 0.1856528 0.1851558), wk = 0.0030488 k( 294) = ( 0.5010503 0.1945574 0.1940366), wk = 0.0030488 k( 295) = ( 0.5010980 0.2034620 0.2029173), wk = 0.0030488 k( 296) = ( 0.5011458 0.2123666 0.2117981), wk = 0.0030488 k( 297) = ( 0.5011935 0.2212712 0.2206789), wk = 0.0030488 k( 298) = ( 0.5012412 0.2301758 0.2295596), wk = 0.0030488 k( 299) = ( 0.5012890 0.2390804 0.2384404), wk = 0.0030488 k( 300) = ( 0.5013367 0.2479850 0.2473212), wk = 0.0030488 k( 301) = ( 0.5013845 0.2568896 0.2562019), wk = 0.0030488 k( 302) = ( 0.5014322 0.2657942 0.2650827), wk = 0.0030488 k( 303) = ( 0.5014799 0.2746989 0.2739635), wk = 0.0030488 k( 304) = ( 0.5015277 0.2836035 0.2828443), wk = 0.0030488 k( 305) = ( 0.5015754 0.2925081 0.2917250), wk = 0.0030488 k( 306) = ( 0.5016232 0.3014127 0.3006058), wk = 0.0030488 k( 307) = ( 0.5016709 0.3103173 0.3094866), wk = 0.0030488 k( 308) = ( 0.5017186 0.3192219 0.3183673), wk = 0.0030488 k( 309) = ( 0.5017664 0.3281265 0.3272481), wk = 0.0030488 k( 310) = ( 0.5018141 0.3370311 0.3361289), wk = 0.0030488 k( 311) = ( 0.5018619 0.3459357 0.3450096), wk = 0.0030488 k( 312) = ( 0.5019096 0.3548403 0.3538904), wk = 0.0030488 k( 313) = ( 0.5019573 0.3637449 0.3627712), wk = 0.0030488 k( 314) = ( 0.5020051 0.3726495 0.3716519), wk = 0.0030488 k( 315) = ( 0.5020528 0.3815541 0.3805327), wk = 0.0030488 k( 316) = ( 0.5021005 0.3904587 0.3894135), wk = 0.0030488 k( 317) = ( 0.5021483 0.3993633 0.3982942), wk = 0.0030488 k( 318) = ( 0.5021960 0.4082679 0.4071750), wk = 0.0030488 k( 319) = ( 0.5022438 0.4171725 0.4160558), wk = 0.0030488 k( 320) = ( 0.5022915 0.4260771 0.4249365), wk = 0.0030488 k( 321) = ( 0.5023393 0.4349818 0.4338173), wk = 0.0030488 k( 322) = ( 0.5023870 0.4438864 0.4426981), wk = 0.0030488 k( 323) = ( 0.5024347 0.4527910 0.4515788), wk = 0.0030488 k( 324) = ( 0.5024825 0.4616956 0.4604596), wk = 0.0030488 k( 325) = ( 0.5025302 0.4706002 0.4693404), wk = 0.0030488 k( 326) = ( 0.5025780 0.4795048 0.4782211), wk = 0.0030488 k( 327) = ( 0.5026257 0.4884094 0.4871019), wk = 0.0030488 k( 328) = ( 0.5026734 0.4973140 0.4959827), 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 0.0088808 -0.0088808), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177617 -0.0177617), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266425 -0.0266425), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355233 -0.0355233), wk = 0.0030488 k( 47) = ( 0.5000000 0.0444042 -0.0444042), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532850 -0.0532850), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621658 -0.0621658), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710467 -0.0710467), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799275 -0.0799275), wk = 0.0030488 k( 52) = ( 0.5000000 0.0888083 -0.0888083), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976892 -0.0976891), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065700 -0.1065700), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154508 -0.1154508), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243316 -0.1243316), wk = 0.0030488 k( 57) = ( 0.5000000 0.1332125 -0.1332125), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420933 -0.1420933), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509741 -0.1509741), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598550 -0.1598550), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687358 -0.1687358), wk = 0.0030488 k( 62) = ( 0.5000000 0.1776166 -0.1776166), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864975 -0.1864975), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953783 -0.1953783), wk = 0.0030488 k( 65) = ( 0.5000000 0.2042591 -0.2042591), wk = 0.0030488 k( 66) = ( 0.5000000 0.2131400 -0.2131400), wk = 0.0030488 k( 67) = ( 0.5000000 0.2220208 -0.2220208), wk = 0.0030488 k( 68) = ( 0.5000000 0.2309016 -0.2309016), wk = 0.0030488 k( 69) = ( 0.5000000 0.2397825 -0.2397825), wk = 0.0030488 k( 70) = ( 0.5000000 0.2486633 -0.2486633), wk = 0.0030488 k( 71) = ( 0.5000000 0.2575441 -0.2575441), wk = 0.0030488 k( 72) = ( 0.5000000 0.2664250 -0.2664249), wk = 0.0030488 k( 73) = ( 0.5000000 0.2753058 -0.2753058), wk = 0.0030488 k( 74) = ( 0.5000000 0.2841866 -0.2841866), wk = 0.0030488 k( 75) = ( 0.5000000 0.2930674 -0.2930674), wk = 0.0030488 k( 76) = ( 0.5000000 0.3019483 -0.3019483), wk = 0.0030488 k( 77) = ( 0.5000000 0.3108291 -0.3108291), wk = 0.0030488 k( 78) = ( 0.5000000 0.3197099 -0.3197099), wk = 0.0030488 k( 79) = ( 0.5000000 0.3285908 -0.3285908), wk = 0.0030488 k( 80) = ( 0.5000000 0.3374716 -0.3374716), wk = 0.0030488 k( 81) = ( 0.5000000 0.3463524 -0.3463524), wk = 0.0030488 k( 82) = ( 0.5000000 0.3552333 -0.3552333), wk = 0.0030488 k( 83) = ( 0.5000000 0.3641141 -0.3641141), wk = 0.0030488 k( 84) = ( 0.5000000 0.3729949 -0.3729949), wk = 0.0030488 k( 85) = ( 0.5000000 0.3818758 -0.3818758), wk = 0.0030488 k( 86) = ( 0.5000000 0.3907566 -0.3907566), wk = 0.0030488 k( 87) = ( 0.5000000 0.3996374 -0.3996374), wk = 0.0030488 k( 88) = ( 0.5000000 0.4085183 -0.4085182), wk = 0.0030488 k( 89) = ( 0.5000000 0.4173991 -0.4173991), wk = 0.0030488 k( 90) = ( 0.5000000 0.4262799 -0.4262799), wk = 0.0030488 k( 91) = ( 0.5000000 0.4351607 -0.4351607), wk = 0.0030488 k( 92) = ( 0.5000000 0.4440416 -0.4440416), wk = 0.0030488 k( 93) = ( 0.5000000 0.4529224 -0.4529224), wk = 0.0030488 k( 94) = ( 0.5000000 0.4618032 -0.4618032), wk = 0.0030488 k( 95) = ( 0.5000000 0.4706841 -0.4706841), wk = 0.0030488 k( 96) = ( 0.5000000 0.4795649 -0.4795649), wk = 0.0030488 k( 97) = ( 0.5000000 0.4884457 -0.4884457), wk = 0.0030488 k( 98) = ( 0.5000000 0.4973266 -0.4973266), wk = 0.0030488 k( 99) = ( 0.5026734 0.5000000 0.4973266), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191176), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941176), 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 0.2058823 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) = ( 0.0089047 0.0000000 -0.0089047), wk = 0.0030488 k( 172) = ( 0.0178094 0.0000000 -0.0178094), wk = 0.0030488 k( 173) = ( 0.0267141 0.0000000 -0.0267141), wk = 0.0030488 k( 174) = ( 0.0356188 0.0000000 -0.0356188), wk = 0.0030488 k( 175) = ( 0.0445235 0.0000000 -0.0445235), wk = 0.0030488 k( 176) = ( 0.0534282 0.0000000 -0.0534282), wk = 0.0030488 k( 177) = ( 0.0623329 0.0000000 -0.0623329), wk = 0.0030488 k( 178) = ( 0.0712376 0.0000000 -0.0712376), wk = 0.0030488 k( 179) = ( 0.0801423 0.0000000 -0.0801423), wk = 0.0030488 k( 180) = ( 0.0890470 0.0000000 -0.0890470), wk = 0.0030488 k( 181) = ( 0.0979517 0.0000000 -0.0979517), wk = 0.0030488 k( 182) = ( 0.1068564 0.0000000 -0.1068564), wk = 0.0030488 k( 183) = ( 0.1157611 0.0000000 -0.1157611), wk = 0.0030488 k( 184) = ( 0.1246658 0.0000000 -0.1246658), wk = 0.0030488 k( 185) = ( 0.1335705 0.0000000 -0.1335705), wk = 0.0030488 k( 186) = ( 0.1424752 0.0000000 -0.1424752), wk = 0.0030488 k( 187) = ( 0.1513799 0.0000000 -0.1513799), wk = 0.0030488 k( 188) = ( 0.1602846 0.0000000 -0.1602846), wk = 0.0030488 k( 189) = ( 0.1691893 0.0000000 -0.1691893), wk = 0.0030488 k( 190) = ( 0.1780940 0.0000000 -0.1780940), wk = 0.0030488 k( 191) = ( 0.1869987 0.0000000 -0.1869987), wk = 0.0030488 k( 192) = ( 0.1959034 0.0000000 -0.1959034), wk = 0.0030488 k( 193) = ( 0.2048081 0.0000000 -0.2048081), wk = 0.0030488 k( 194) = ( 0.2137128 0.0000000 -0.2137128), wk = 0.0030488 k( 195) = ( 0.2226175 0.0000000 -0.2226175), wk = 0.0030488 k( 196) = ( 0.2315222 0.0000000 -0.2315222), wk = 0.0030488 k( 197) = ( 0.2404269 0.0000000 -0.2404269), wk = 0.0030488 k( 198) = ( 0.2493316 0.0000000 -0.2493316), wk = 0.0030488 k( 199) = ( 0.2582363 0.0000000 -0.2582363), wk = 0.0030488 k( 200) = ( 0.2671410 0.0000000 -0.2671410), wk = 0.0030488 k( 201) = ( 0.2760457 0.0000000 -0.2760457), wk = 0.0030488 k( 202) = ( 0.2849505 0.0000000 -0.2849505), wk = 0.0030488 k( 203) = ( 0.2938552 0.0000000 -0.2938551), wk = 0.0030488 k( 204) = ( 0.3027598 0.0000000 -0.3027598), wk = 0.0030488 k( 205) = ( 0.3116645 0.0000000 -0.3116645), wk = 0.0030488 k( 206) = ( 0.3205692 0.0000000 -0.3205692), wk = 0.0030488 k( 207) = ( 0.3294740 0.0000000 -0.3294740), wk = 0.0030488 k( 208) = ( 0.3383787 0.0000000 -0.3383787), wk = 0.0030488 k( 209) = ( 0.3472834 0.0000000 -0.3472834), wk = 0.0030488 k( 210) = ( 0.3561881 0.0000000 -0.3561881), wk = 0.0030488 k( 211) = ( 0.3650928 0.0000000 -0.3650928), wk = 0.0030488 k( 212) = ( 0.3739975 0.0000000 -0.3739975), wk = 0.0030488 k( 213) = ( 0.3829022 0.0000000 -0.3829022), wk = 0.0030488 k( 214) = ( 0.3918069 0.0000000 -0.3918069), wk = 0.0030488 k( 215) = ( 0.4007116 0.0000000 -0.4007116), wk = 0.0030488 k( 216) = ( 0.4096163 -0.0000000 -0.4096163), wk = 0.0030488 k( 217) = ( 0.4185210 0.0000000 -0.4185210), wk = 0.0030488 k( 218) = ( 0.4274257 0.0000000 -0.4274257), wk = 0.0030488 k( 219) = ( 0.4363304 0.0000000 -0.4363304), wk = 0.0030488 k( 220) = ( 0.4452351 0.0000000 -0.4452351), wk = 0.0030488 k( 221) = ( 0.4541398 0.0000000 -0.4541398), wk = 0.0030488 k( 222) = ( 0.4630445 0.0000000 -0.4630445), wk = 0.0030488 k( 223) = ( 0.4719492 0.0000000 -0.4719492), wk = 0.0030488 k( 224) = ( 0.4808539 0.0000000 -0.4808539), wk = 0.0030488 k( 225) = ( 0.4897586 0.0000000 -0.4897586), wk = 0.0030488 k( 226) = ( 0.4986633 0.0000000 -0.4986633), wk = 0.0030488 k( 227) = ( 0.5013367 0.4986633 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) = ( 0.5000334 0.5000334 0.0124332), wk = 0.0030488 k( 231) = ( 0.5000668 0.5000668 0.0248663), wk = 0.0030488 k( 232) = ( 0.5001003 0.5001003 0.0372995), wk = 0.0030488 k( 233) = ( 0.5001337 0.5001337 0.0497327), wk = 0.0030488 k( 234) = ( 0.5001671 0.5001671 0.0621658), wk = 0.0030488 k( 235) = ( 0.5002005 0.5002005 0.0745990), wk = 0.0030488 k( 236) = ( 0.5002339 0.5002339 0.0870322), wk = 0.0030488 k( 237) = ( 0.5002673 0.5002673 0.0994653), wk = 0.0030488 k( 238) = ( 0.5003008 0.5003008 0.1118985), wk = 0.0030488 k( 239) = ( 0.5003342 0.5003342 0.1243316), wk = 0.0030488 k( 240) = ( 0.5003676 0.5003676 0.1367648), wk = 0.0030488 k( 241) = ( 0.5004010 0.5004010 0.1491980), wk = 0.0030488 k( 242) = ( 0.5004344 0.5004344 0.1616311), wk = 0.0030488 k( 243) = ( 0.5004679 0.5004679 0.1740643), wk = 0.0030488 k( 244) = ( 0.5005013 0.5005013 0.1864975), wk = 0.0030488 k( 245) = ( 0.5005347 0.5005347 0.1989306), wk = 0.0030488 k( 246) = ( 0.5005681 0.5005681 0.2113638), wk = 0.0030488 k( 247) = ( 0.5006015 0.5006015 0.2237970), wk = 0.0030488 k( 248) = ( 0.5006349 0.5006349 0.2362301), wk = 0.0030488 k( 249) = ( 0.5006684 0.5006684 0.2486633), wk = 0.0030488 k( 250) = ( 0.5007018 0.5007018 0.2610964), wk = 0.0030488 k( 251) = ( 0.5007352 0.5007352 0.2735296), wk = 0.0030488 k( 252) = ( 0.5007686 0.5007686 0.2859628), wk = 0.0030488 k( 253) = ( 0.5008020 0.5008020 0.2983959), wk = 0.0030488 k( 254) = ( 0.5008354 0.5008354 0.3108291), wk = 0.0030488 k( 255) = ( 0.5008689 0.5008689 0.3232623), wk = 0.0030488 k( 256) = ( 0.5009023 0.5009023 0.3356954), wk = 0.0030488 k( 257) = ( 0.5009357 0.5009357 0.3481286), wk = 0.0030488 k( 258) = ( 0.5009691 0.5009691 0.3605618), wk = 0.0030488 k( 259) = ( 0.5010025 0.5010025 0.3729949), wk = 0.0030488 k( 260) = ( 0.5010360 0.5010360 0.3854281), wk = 0.0030488 k( 261) = ( 0.5010694 0.5010694 0.3978612), wk = 0.0030488 k( 262) = ( 0.5011028 0.5011028 0.4102944), wk = 0.0030488 k( 263) = ( 0.5011362 0.5011362 0.4227276), wk = 0.0030488 k( 264) = ( 0.5011696 0.5011696 0.4351607), wk = 0.0030488 k( 265) = ( 0.5012030 0.5012030 0.4475939), wk = 0.0030488 k( 266) = ( 0.5012365 0.5012365 0.4600271), wk = 0.0030488 k( 267) = ( 0.5012699 0.5012699 0.4724602), wk = 0.0030488 k( 268) = ( 0.5013033 0.5013033 0.4848934), wk = 0.0030488 k( 269) = ( 0.5013367 0.5013367 0.4973266), wk = 0.0030488 k( 270) = ( 0.5013367 0.5013367 0.4973266), 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) = ( 0.5000477 0.0089047 0.0089047), wk = 0.0030488 k( 274) = ( 0.5000955 0.0178094 0.0178094), wk = 0.0030488 k( 275) = ( 0.5001432 0.0267141 0.0267141), wk = 0.0030488 k( 276) = ( 0.5001910 0.0356188 0.0356188), wk = 0.0030488 k( 277) = ( 0.5002387 0.0445235 0.0445235), wk = 0.0030488 k( 278) = ( 0.5002864 0.0534282 0.0534282), wk = 0.0030488 k( 279) = ( 0.5003342 0.0623329 0.0623329), wk = 0.0030488 k( 280) = ( 0.5003819 0.0712376 0.0712376), wk = 0.0030488 k( 281) = ( 0.5004297 0.0801423 0.0801423), wk = 0.0030488 k( 282) = ( 0.5004774 0.0890470 0.0890470), wk = 0.0030488 k( 283) = ( 0.5005251 0.0979517 0.0979517), wk = 0.0030488 k( 284) = ( 0.5005729 0.1068564 0.1068564), wk = 0.0030488 k( 285) = ( 0.5006206 0.1157611 0.1157611), wk = 0.0030488 k( 286) = ( 0.5006684 0.1246658 0.1246658), wk = 0.0030488 k( 287) = ( 0.5007161 0.1335705 0.1335705), wk = 0.0030488 k( 288) = ( 0.5007638 0.1424752 0.1424752), wk = 0.0030488 k( 289) = ( 0.5008116 0.1513799 0.1513799), wk = 0.0030488 k( 290) = ( 0.5008593 0.1602846 0.1602846), wk = 0.0030488 k( 291) = ( 0.5009071 0.1691893 0.1691893), wk = 0.0030488 k( 292) = ( 0.5009548 0.1780940 0.1780940), wk = 0.0030488 k( 293) = ( 0.5010025 0.1869987 0.1869987), wk = 0.0030488 k( 294) = ( 0.5010503 0.1959034 0.1959034), wk = 0.0030488 k( 295) = ( 0.5010980 0.2048081 0.2048081), wk = 0.0030488 k( 296) = ( 0.5011458 0.2137128 0.2137128), wk = 0.0030488 k( 297) = ( 0.5011935 0.2226175 0.2226175), wk = 0.0030488 k( 298) = ( 0.5012412 0.2315222 0.2315222), wk = 0.0030488 k( 299) = ( 0.5012890 0.2404269 0.2404269), wk = 0.0030488 k( 300) = ( 0.5013367 0.2493316 0.2493316), wk = 0.0030488 k( 301) = ( 0.5013845 0.2582363 0.2582363), wk = 0.0030488 k( 302) = ( 0.5014322 0.2671410 0.2671410), wk = 0.0030488 k( 303) = ( 0.5014799 0.2760457 0.2760457), wk = 0.0030488 k( 304) = ( 0.5015277 0.2849504 0.2849505), wk = 0.0030488 k( 305) = ( 0.5015754 0.2938552 0.2938551), wk = 0.0030488 k( 306) = ( 0.5016232 0.3027599 0.3027598), wk = 0.0030488 k( 307) = ( 0.5016709 0.3116645 0.3116645), wk = 0.0030488 k( 308) = ( 0.5017186 0.3205692 0.3205692), wk = 0.0030488 k( 309) = ( 0.5017664 0.3294740 0.3294740), wk = 0.0030488 k( 310) = ( 0.5018141 0.3383787 0.3383787), wk = 0.0030488 k( 311) = ( 0.5018619 0.3472834 0.3472834), wk = 0.0030488 k( 312) = ( 0.5019096 0.3561881 0.3561881), wk = 0.0030488 k( 313) = ( 0.5019573 0.3650928 0.3650928), wk = 0.0030488 k( 314) = ( 0.5020051 0.3739975 0.3739975), wk = 0.0030488 k( 315) = ( 0.5020528 0.3829022 0.3829022), wk = 0.0030488 k( 316) = ( 0.5021005 0.3918069 0.3918069), wk = 0.0030488 k( 317) = ( 0.5021483 0.4007116 0.4007116), wk = 0.0030488 k( 318) = ( 0.5021960 0.4096163 0.4096163), wk = 0.0030488 k( 319) = ( 0.5022438 0.4185210 0.4185210), wk = 0.0030488 k( 320) = ( 0.5022915 0.4274257 0.4274257), wk = 0.0030488 k( 321) = ( 0.5023393 0.4363304 0.4363304), wk = 0.0030488 k( 322) = ( 0.5023870 0.4452351 0.4452351), wk = 0.0030488 k( 323) = ( 0.5024347 0.4541398 0.4541398), wk = 0.0030488 k( 324) = ( 0.5024825 0.4630445 0.4630445), wk = 0.0030488 k( 325) = ( 0.5025302 0.4719492 0.4719492), wk = 0.0030488 k( 326) = ( 0.5025780 0.4808539 0.4808539), wk = 0.0030488 k( 327) = ( 0.5026257 0.4897586 0.4897586), wk = 0.0030488 k( 328) = ( 0.5026734 0.4986633 0.4986633), wk = 0.0030488 Dense grid: 101205 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22011 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 132, 48) NL pseudopotentials 0.11 Mb ( 66, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2111) G-vector shells 0.01 Mb ( 1780) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 132, 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 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 47.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.2 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.5 secs Computing kpt #: 5 total cpu time spent up to now is 56.5 secs Computing kpt #: 6 total cpu time spent up to now is 59.4 secs Computing kpt #: 7 total cpu time spent up to now is 61.4 secs Computing kpt #: 8 total cpu time spent up to now is 63.1 secs Computing kpt #: 9 total cpu time spent up to now is 64.8 secs Computing kpt #: 10 total cpu time spent up to now is 66.5 secs Computing kpt #: 11 total cpu time spent up to now is 68.2 secs Computing kpt #: 12 total cpu time spent up to now is 69.6 secs Computing kpt #: 13 total cpu time spent up to now is 70.9 secs Computing kpt #: 14 total cpu time spent up to now is 72.2 secs Computing kpt #: 15 total cpu time spent up to now is 73.5 secs Computing kpt #: 16 total cpu time spent up to now is 74.8 secs Computing kpt #: 17 total cpu time spent up to now is 76.1 secs Computing kpt #: 18 total cpu time spent up to now is 77.3 secs Computing kpt #: 19 total cpu time spent up to now is 78.6 secs Computing kpt #: 20 total cpu time spent up to now is 80.0 secs Computing kpt #: 21 total cpu time spent up to now is 81.3 secs Computing kpt #: 22 total cpu time spent up to now is 82.7 secs Computing kpt #: 23 total cpu time spent up to now is 83.9 secs Computing kpt #: 24 total cpu time spent up to now is 85.1 secs Computing kpt #: 25 total cpu time spent up to now is 86.4 secs Computing kpt #: 26 total cpu time spent up to now is 87.6 secs Computing kpt #: 27 total cpu time spent up to now is 88.9 secs Computing kpt #: 28 total cpu time spent up to now is 90.1 secs Computing kpt #: 29 total cpu time spent up to now is 91.3 secs Computing kpt #: 30 total cpu time spent up to now is 92.5 secs Computing kpt #: 31 total cpu time spent up to now is 93.7 secs Computing kpt #: 32 total cpu time spent up to now is 94.9 secs Computing kpt #: 33 total cpu time spent up to now is 96.3 secs Computing kpt #: 34 total cpu time spent up to now is 97.5 secs Computing kpt #: 35 total cpu time spent up to now is 98.7 secs Computing kpt #: 36 total cpu time spent up to now is 99.9 secs Computing kpt #: 37 total cpu time spent up to now is 101.1 secs Computing kpt #: 38 total cpu time spent up to now is 102.2 secs Computing kpt #: 39 total cpu time spent up to now is 103.4 secs Computing kpt #: 40 total cpu time spent up to now is 104.6 secs Computing kpt #: 41 total cpu time spent up to now is 105.8 secs Computing kpt #: 42 total cpu time spent up to now is 106.9 secs Computing kpt #: 43 total cpu time spent up to now is 108.1 secs Computing kpt #: 44 total cpu time spent up to now is 109.3 secs Computing kpt #: 45 total cpu time spent up to now is 110.6 secs Computing kpt #: 46 total cpu time spent up to now is 111.9 secs Computing kpt #: 47 total cpu time spent up to now is 113.1 secs Computing kpt #: 48 total cpu time spent up to now is 114.3 secs Computing kpt #: 49 total cpu time spent up to now is 115.5 secs Computing kpt #: 50 total cpu time spent up to now is 116.8 secs Computing kpt #: 51 total cpu time spent up to now is 118.7 secs Computing kpt #: 52 total cpu time spent up to now is 120.5 secs Computing kpt #: 53 total cpu time spent up to now is 122.4 secs Computing kpt #: 54 total cpu time spent up to now is 124.0 secs Computing kpt #: 55 total cpu time spent up to now is 125.4 secs Computing kpt #: 56 total cpu time spent up to now is 126.6 secs Computing kpt #: 57 total cpu time spent up to now is 127.8 secs Computing kpt #: 58 total cpu time spent up to now is 129.0 secs Computing kpt #: 59 total cpu time spent up to now is 130.3 secs Computing kpt #: 60 total cpu time spent up to now is 131.5 secs Computing kpt #: 61 total cpu time spent up to now is 132.7 secs Computing kpt #: 62 total cpu time spent up to now is 133.9 secs Computing kpt #: 63 total cpu time spent up to now is 135.4 secs Computing kpt #: 64 total cpu time spent up to now is 136.6 secs Computing kpt #: 65 total cpu time spent up to now is 137.9 secs Computing kpt #: 66 total cpu time spent up to now is 139.4 secs Computing kpt #: 67 total cpu time spent up to now is 140.8 secs Computing kpt #: 68 total cpu time spent up to now is 142.1 secs Computing kpt #: 69 total cpu time spent up to now is 143.5 secs Computing kpt #: 70 total cpu time spent up to now is 144.8 secs Computing kpt #: 71 total cpu time spent up to now is 146.2 secs Computing kpt #: 72 total cpu time spent up to now is 147.6 secs Computing kpt #: 73 total cpu time spent up to now is 149.3 secs Computing kpt #: 74 total cpu time spent up to now is 150.9 secs Computing kpt #: 75 total cpu time spent up to now is 152.6 secs Computing kpt #: 76 total cpu time spent up to now is 154.3 secs Computing kpt #: 77 total cpu time spent up to now is 156.0 secs Computing kpt #: 78 total cpu time spent up to now is 158.1 secs Computing kpt #: 79 total cpu time spent up to now is 160.4 secs Computing kpt #: 80 total cpu time spent up to now is 162.5 secs Computing kpt #: 81 total cpu time spent up to now is 164.7 secs Computing kpt #: 82 total cpu time spent up to now is 167.2 secs Computing kpt #: 83 total cpu time spent up to now is 169.7 secs Computing kpt #: 84 total cpu time spent up to now is 172.3 secs Computing kpt #: 85 total cpu time spent up to now is 174.8 secs Computing kpt #: 86 total cpu time spent up to now is 177.2 secs Computing kpt #: 87 total cpu time spent up to now is 179.8 secs Computing kpt #: 88 total cpu time spent up to now is 182.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.0 secs Computing kpt #: 90 total cpu time spent up to now is 189.1 secs Computing kpt #: 91 total cpu time spent up to now is 191.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.1 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.7 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.1 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.6 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.0 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.1 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.0 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.1 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.3 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.7 secs Computing kpt #: 124 total cpu time spent up to now is 294.9 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.3 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.7 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.8 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.0 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 317.0 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.0 secs Computing kpt #: 133 total cpu time spent up to now is 323.1 secs Computing kpt #: 134 total cpu time spent up to now is 325.2 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.3 secs Computing kpt #: 136 total cpu time spent up to now is 330.0 secs Computing kpt #: 137 total cpu time spent up to now is 331.7 secs Computing kpt #: 138 total cpu time spent up to now is 333.3 secs Computing kpt #: 139 total cpu time spent up to now is 335.0 secs Computing kpt #: 140 total cpu time spent up to now is 336.6 secs Computing kpt #: 141 total cpu time spent up to now is 338.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 143 total cpu time spent up to now is 342.8 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.6 secs Computing kpt #: 147 total cpu time spent up to now is 355.8 secs Computing kpt #: 148 total cpu time spent up to now is 357.3 secs Computing kpt #: 149 total cpu time spent up to now is 358.8 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.9 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.4 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.7 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.0 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.3 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.5 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.1 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 417.1 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.4 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.5 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.6 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.0 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.3 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.6 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.9 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.2 secs Computing kpt #: 176 total cpu time spent up to now is 445.2 secs Computing kpt #: 177 total cpu time spent up to now is 447.1 secs Computing kpt #: 178 total cpu time spent up to now is 448.9 secs Computing kpt #: 179 total cpu time spent up to now is 450.6 secs Computing kpt #: 180 total cpu time spent up to now is 452.5 secs Computing kpt #: 181 total cpu time spent up to now is 454.2 secs Computing kpt #: 182 total cpu time spent up to now is 455.9 secs Computing kpt #: 183 total cpu time spent up to now is 457.5 secs Computing kpt #: 184 total cpu time spent up to now is 459.3 secs Computing kpt #: 185 total cpu time spent up to now is 460.6 secs Computing kpt #: 186 total cpu time spent up to now is 461.9 secs Computing kpt #: 187 total cpu time spent up to now is 463.1 secs Computing kpt #: 188 total cpu time spent up to now is 464.5 secs Computing kpt #: 189 total cpu time spent up to now is 465.8 secs Computing kpt #: 190 total cpu time spent up to now is 467.1 secs Computing kpt #: 191 total cpu time spent up to now is 468.4 secs Computing kpt #: 192 total cpu time spent up to now is 469.7 secs Computing kpt #: 193 total cpu time spent up to now is 471.0 secs Computing kpt #: 194 total cpu time spent up to now is 472.5 secs Computing kpt #: 195 total cpu time spent up to now is 473.8 secs Computing kpt #: 196 total cpu time spent up to now is 475.0 secs Computing kpt #: 197 total cpu time spent up to now is 476.3 secs Computing kpt #: 198 total cpu time spent up to now is 477.6 secs Computing kpt #: 199 total cpu time spent up to now is 478.8 secs Computing kpt #: 200 total cpu time spent up to now is 480.0 secs Computing kpt #: 201 total cpu time spent up to now is 481.2 secs Computing kpt #: 202 total cpu time spent up to now is 482.5 secs Computing kpt #: 203 total cpu time spent up to now is 483.8 secs Computing kpt #: 204 total cpu time spent up to now is 485.0 secs Computing kpt #: 205 total cpu time spent up to now is 486.3 secs Computing kpt #: 206 total cpu time spent up to now is 487.5 secs Computing kpt #: 207 total cpu time spent up to now is 488.7 secs Computing kpt #: 208 total cpu time spent up to now is 489.9 secs Computing kpt #: 209 total cpu time spent up to now is 491.1 secs Computing kpt #: 210 total cpu time spent up to now is 492.4 secs Computing kpt #: 211 total cpu time spent up to now is 493.6 secs Computing kpt #: 212 total cpu time spent up to now is 494.8 secs Computing kpt #: 213 total cpu time spent up to now is 496.0 secs Computing kpt #: 214 total cpu time spent up to now is 497.3 secs Computing kpt #: 215 total cpu time spent up to now is 498.3 secs Computing kpt #: 216 total cpu time spent up to now is 499.4 secs Computing kpt #: 217 total cpu time spent up to now is 500.8 secs Computing kpt #: 218 total cpu time spent up to now is 501.8 secs Computing kpt #: 219 total cpu time spent up to now is 502.8 secs Computing kpt #: 220 total cpu time spent up to now is 503.9 secs Computing kpt #: 221 total cpu time spent up to now is 505.0 secs Computing kpt #: 222 total cpu time spent up to now is 506.1 secs Computing kpt #: 223 total cpu time spent up to now is 507.1 secs Computing kpt #: 224 total cpu time spent up to now is 508.2 secs Computing kpt #: 225 total cpu time spent up to now is 509.2 secs Computing kpt #: 226 total cpu time spent up to now is 510.2 secs Computing kpt #: 227 total cpu time spent up to now is 511.3 secs Computing kpt #: 228 total cpu time spent up to now is 512.3 secs Computing kpt #: 229 total cpu time spent up to now is 513.3 secs Computing kpt #: 230 total cpu time spent up to now is 514.3 secs Computing kpt #: 231 total cpu time spent up to now is 515.4 secs Computing kpt #: 232 total cpu time spent up to now is 516.5 secs Computing kpt #: 233 total cpu time spent up to now is 517.5 secs Computing kpt #: 234 total cpu time spent up to now is 518.6 secs Computing kpt #: 235 total cpu time spent up to now is 519.9 secs Computing kpt #: 236 total cpu time spent up to now is 521.0 secs Computing kpt #: 237 total cpu time spent up to now is 522.3 secs Computing kpt #: 238 total cpu time spent up to now is 523.6 secs Computing kpt #: 239 total cpu time spent up to now is 524.8 secs Computing kpt #: 240 total cpu time spent up to now is 526.1 secs Computing kpt #: 241 total cpu time spent up to now is 527.5 secs Computing kpt #: 242 total cpu time spent up to now is 528.9 secs Computing kpt #: 243 total cpu time spent up to now is 530.3 secs Computing kpt #: 244 total cpu time spent up to now is 531.9 secs Computing kpt #: 245 total cpu time spent up to now is 533.4 secs Computing kpt #: 246 total cpu time spent up to now is 534.9 secs Computing kpt #: 247 total cpu time spent up to now is 537.0 secs Computing kpt #: 248 total cpu time spent up to now is 538.7 secs Computing kpt #: 249 total cpu time spent up to now is 540.2 secs Computing kpt #: 250 total cpu time spent up to now is 541.9 secs Computing kpt #: 251 total cpu time spent up to now is 544.0 secs Computing kpt #: 252 total cpu time spent up to now is 545.8 secs Computing kpt #: 253 total cpu time spent up to now is 547.5 secs Computing kpt #: 254 total cpu time spent up to now is 549.3 secs Computing kpt #: 255 total cpu time spent up to now is 551.1 secs Computing kpt #: 256 total cpu time spent up to now is 553.1 secs Computing kpt #: 257 total cpu time spent up to now is 555.2 secs Computing kpt #: 258 total cpu time spent up to now is 557.2 secs Computing kpt #: 259 total cpu time spent up to now is 559.4 secs Computing kpt #: 260 total cpu time spent up to now is 561.6 secs Computing kpt #: 261 total cpu time spent up to now is 563.8 secs Computing kpt #: 262 total cpu time spent up to now is 566.3 secs Computing kpt #: 263 total cpu time spent up to now is 569.3 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.5 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.7 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.8 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.0 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.2 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.3 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 591.5 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 594.5 secs Computing kpt #: 272 total cpu time spent up to now is 596.1 secs Computing kpt #: 273 total cpu time spent up to now is 597.4 secs Computing kpt #: 274 total cpu time spent up to now is 598.7 secs Computing kpt #: 275 total cpu time spent up to now is 599.8 secs Computing kpt #: 276 total cpu time spent up to now is 601.2 secs Computing kpt #: 277 total cpu time spent up to now is 603.0 secs Computing kpt #: 278 total cpu time spent up to now is 604.2 secs Computing kpt #: 279 total cpu time spent up to now is 605.4 secs Computing kpt #: 280 total cpu time spent up to now is 606.6 secs Computing kpt #: 281 total cpu time spent up to now is 607.7 secs Computing kpt #: 282 total cpu time spent up to now is 609.0 secs Computing kpt #: 283 total cpu time spent up to now is 610.2 secs Computing kpt #: 284 total cpu time spent up to now is 611.5 secs Computing kpt #: 285 total cpu time spent up to now is 612.7 secs Computing kpt #: 286 total cpu time spent up to now is 613.9 secs Computing kpt #: 287 total cpu time spent up to now is 615.2 secs Computing kpt #: 288 total cpu time spent up to now is 616.4 secs Computing kpt #: 289 total cpu time spent up to now is 617.6 secs Computing kpt #: 290 total cpu time spent up to now is 618.9 secs Computing kpt #: 291 total cpu time spent up to now is 620.1 secs Computing kpt #: 292 total cpu time spent up to now is 621.3 secs Computing kpt #: 293 total cpu time spent up to now is 622.8 secs Computing kpt #: 294 total cpu time spent up to now is 624.2 secs Computing kpt #: 295 total cpu time spent up to now is 625.4 secs Computing kpt #: 296 total cpu time spent up to now is 626.8 secs Computing kpt #: 297 total cpu time spent up to now is 628.4 secs Computing kpt #: 298 total cpu time spent up to now is 629.6 secs Computing kpt #: 299 total cpu time spent up to now is 630.9 secs Computing kpt #: 300 total cpu time spent up to now is 632.1 secs Computing kpt #: 301 total cpu time spent up to now is 633.6 secs Computing kpt #: 302 total cpu time spent up to now is 635.2 secs Computing kpt #: 303 total cpu time spent up to now is 636.5 secs Computing kpt #: 304 total cpu time spent up to now is 637.9 secs Computing kpt #: 305 total cpu time spent up to now is 639.5 secs Computing kpt #: 306 total cpu time spent up to now is 641.1 secs Computing kpt #: 307 total cpu time spent up to now is 642.8 secs Computing kpt #: 308 total cpu time spent up to now is 644.4 secs Computing kpt #: 309 total cpu time spent up to now is 646.3 secs Computing kpt #: 310 total cpu time spent up to now is 648.4 secs Computing kpt #: 311 total cpu time spent up to now is 650.4 secs Computing kpt #: 312 total cpu time spent up to now is 652.8 secs Computing kpt #: 313 total cpu time spent up to now is 655.2 secs Computing kpt #: 314 total cpu time spent up to now is 657.7 secs Computing kpt #: 315 total cpu time spent up to now is 660.4 secs Computing kpt #: 316 total cpu time spent up to now is 663.0 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 666.3 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 669.4 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.6 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.8 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.0 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 682.7 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.0 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.1 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.3 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.4 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.6 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.8 secs ethr = 2.50E-11, avg # of iterations = 61.4 total cpu time spent up to now is 701.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6846 -22.6846 -22.0309 -22.0309 -22.0283 -22.0283 -14.4243 -14.4243 -6.5128 -6.5128 -5.8495 -5.8495 -5.8470 -5.8470 -0.9637 -0.9637 0.9513 0.9513 0.9532 0.9532 7.9588 7.9588 8.1749 8.1749 8.1750 8.1750 8.9905 8.9905 8.9999 8.9999 9.2196 9.2196 9.7713 9.7713 9.9185 9.9185 9.9741 9.9741 12.6511 12.6511 12.6630 12.6630 12.7952 12.7952 14.7769 14.7776 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6847 -22.6846 -22.0309 -22.0309 -22.0284 -22.0283 -14.4241 -14.4241 -6.5130 -6.5127 -5.8497 -5.8493 -5.8470 -5.8469 -0.9634 -0.9632 0.9517 0.9517 0.9533 0.9539 7.9559 7.9596 8.1704 8.1728 8.1751 8.1762 8.9884 8.9886 8.9970 8.9989 9.2180 9.2194 9.7560 9.7812 9.9050 9.9287 9.9742 9.9746 12.6520 12.6526 12.6635 12.6656 12.7953 12.7970 14.7772 14.7774 k = 0.0250-0.0001-0.0001 ( 2775 PWs) bands (ev): -45.9721 -45.9721 -22.6848 -22.6847 -22.0310 -22.0310 -22.0285 -22.0283 -14.4236 -14.4236 -6.5132 -6.5127 -5.8497 -5.8491 -5.8468 -5.8468 -0.9625 -0.9621 0.9526 0.9528 0.9543 0.9557 7.9509 7.9583 8.1621 8.1679 8.1740 8.1753 8.9825 8.9828 8.9902 8.9939 9.2145 9.2172 9.7365 9.7844 9.8904 9.9337 9.9741 9.9765 12.6532 12.6562 12.6693 12.6718 12.7976 12.8008 14.7771 14.7776 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9721 -45.9721 -22.6849 -22.6847 -22.0311 -22.0311 -22.0286 -22.0284 -14.4227 -14.4227 -6.5135 -6.5127 -5.8497 -5.8487 -5.8466 -5.8465 -0.9608 -0.9602 0.9541 0.9544 0.9563 0.9584 7.9434 7.9547 8.1498 8.1594 8.1719 8.1732 8.9726 8.9730 8.9800 8.9853 9.2091 9.2129 9.7134 9.7793 9.8771 9.9336 9.9730 9.9793 12.6538 12.6601 12.6814 12.6830 12.8021 12.8067 14.7770 14.7776 k = 0.0500-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9721 -45.9721 -22.6851 -22.6848 -22.0314 -22.0313 -22.0287 -22.0285 -14.4215 -14.4214 -6.5139 -6.5129 -5.8496 -5.8483 -5.8462 -5.8461 -0.9585 -0.9577 0.9561 0.9564 0.9595 0.9622 7.9333 7.9484 8.1342 8.1476 8.1688 8.1701 8.9588 8.9594 8.9669 8.9731 9.2017 9.2066 9.6873 9.7650 9.8663 9.9295 9.9706 9.9813 12.6548 12.6637 12.6990 12.6998 12.8091 12.8147 14.7767 14.7776 k = 0.0625-0.0002-0.0002 ( 2769 PWs) bands (ev): -45.9721 -45.9721 -22.6853 -22.6850 -22.0317 -22.0316 -22.0288 -22.0286 -14.4199 -14.4199 -6.5145 -6.5133 -5.8492 -5.8477 -5.8456 -5.8455 -0.9556 -0.9546 0.9586 0.9589 0.9637 0.9670 7.9198 7.9388 8.1157 8.1330 8.1647 8.1660 8.9413 8.9423 8.9510 8.9578 9.1924 9.1981 9.6587 9.7427 9.8576 9.9227 9.9664 9.9810 12.6565 12.6674 12.7216 12.7219 12.8189 12.8251 14.7765 14.7775 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9720 -45.9720 -22.6856 -22.6852 -22.0322 -22.0321 -22.0289 -22.0287 -14.4180 -14.4179 -6.5153 -6.5139 -5.8487 -5.8470 -5.8449 -5.8446 -0.9520 -0.9508 0.9616 0.9619 0.9689 0.9728 7.9026 7.9251 8.0955 8.1163 8.1596 8.1609 8.9207 8.9218 8.9328 8.9395 9.1811 9.1874 9.6278 9.7142 9.8494 9.9139 9.9602 9.9777 12.6592 12.6714 12.7487 12.7488 12.8316 12.8382 14.7762 14.7774 k = 0.0875-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9720 -45.9720 -22.6859 -22.6855 -22.0328 -22.0326 -22.0290 -22.0288 -14.4158 -14.4157 -6.5165 -6.5148 -5.8479 -5.8463 -5.8440 -5.8434 -0.9478 -0.9464 0.9651 0.9654 0.9751 0.9795 7.8809 7.9062 8.0749 8.0984 8.1535 8.1548 8.8973 8.8985 8.9124 8.9187 9.1678 9.1745 9.5950 9.6812 9.8406 9.9035 9.9519 9.9709 12.6629 12.6758 12.7799 12.7801 12.8478 12.8545 14.7759 14.7773 k = 0.1000-0.0003-0.0003 ( 2760 PWs) bands (ev): -45.9720 -45.9720 -22.6862 -22.6857 -22.0335 -22.0332 -22.0290 -22.0288 -14.4132 -14.4132 -6.5181 -6.5162 -5.8469 -5.8454 -5.8427 -5.8417 -0.9431 -0.9414 0.9690 0.9693 0.9821 0.9871 7.8541 7.8811 8.0550 8.0801 8.1462 8.1476 8.8717 8.8727 8.8900 8.8957 9.1525 9.1594 9.5606 9.6449 9.8306 9.8916 9.9413 9.9607 12.6676 12.6807 12.8148 12.8156 12.8675 12.8744 14.7755 14.7772 k = 0.1125-0.0003-0.0003 ( 2760 PWs) bands (ev): -45.9720 -45.9720 -22.6866 -22.6861 -22.0344 -22.0340 -22.0290 -22.0288 -14.4104 -14.4103 -6.5202 -6.5181 -5.8457 -5.8445 -5.8410 -5.8393 -0.9377 -0.9359 0.9735 0.9738 0.9900 0.9956 7.8219 7.8492 8.0367 8.0621 8.1377 8.1393 8.8442 8.8448 8.8661 8.8707 9.1354 9.1424 9.5246 9.6057 9.8191 9.8785 9.9285 9.9472 12.6731 12.6859 12.8526 12.8546 12.8913 12.8987 14.7751 14.7770 k = 0.1250-0.0003-0.0003 ( 2761 PWs) bands (ev): -45.9719 -45.9719 -22.6871 -22.6865 -22.0353 -22.0348 -22.0290 -22.0289 -14.4073 -14.4072 -6.5229 -6.5206 -5.8444 -5.8435 -5.8385 -5.8363 -0.9319 -0.9300 0.9783 0.9786 0.9988 1.0048 7.7842 7.8107 8.0202 8.0447 8.1281 8.1297 8.8153 8.8153 8.8409 8.8443 9.1165 9.1234 9.4873 9.5642 9.8062 9.8643 9.9138 9.9308 12.6791 12.6914 12.8923 12.8967 12.9195 12.9285 14.7747 14.7768 k = 0.1375-0.0004-0.0004 ( 2757 PWs) bands (ev): -45.9719 -45.9719 -22.6875 -22.6869 -22.0363 -22.0358 -22.0290 -22.0288 -14.4040 -14.4039 -6.5262 -6.5238 -5.8431 -5.8425 -5.8352 -5.8324 -0.9257 -0.9235 0.9836 0.9839 1.0083 1.0148 7.7413 7.7661 8.0051 8.0280 8.1171 8.1189 8.7845 8.7854 8.8148 8.8167 9.0960 9.1028 9.4488 9.5206 9.7918 9.8489 9.8974 9.9117 12.6855 12.6971 12.9322 12.9400 12.9536 12.9649 14.7743 14.7766 k = 0.1500-0.0004-0.0004 ( 2759 PWs) bands (ev): -45.9719 -45.9719 -22.6880 -22.6873 -22.0374 -22.0368 -22.0290 -22.0288 -14.4003 -14.4002 -6.5303 -6.5277 -5.8418 -5.8414 -5.8308 -5.8277 -0.9190 -0.9167 0.9892 0.9895 1.0185 1.0255 7.6937 7.7164 7.9910 8.0118 8.1049 8.1067 8.7527 8.7547 8.7880 8.7883 9.0741 9.0807 9.4093 9.4752 9.7762 9.8326 9.8795 9.8906 12.6922 12.7029 12.9720 12.9809 12.9967 13.0082 14.7738 14.7763 k = 0.1625-0.0004-0.0004 ( 2757 PWs) bands (ev): -45.9718 -45.9718 -22.6885 -22.6878 -22.0386 -22.0379 -22.0289 -22.0288 -14.3965 -14.3964 -6.5352 -6.5324 -5.8406 -5.8403 -5.8255 -5.8221 -0.9120 -0.9094 0.9953 0.9955 1.0294 1.0368 7.6419 7.6624 7.9774 7.9959 8.0912 8.0932 8.7203 8.7236 8.7595 8.7609 9.0510 9.0573 9.3689 9.4284 9.7594 9.8152 9.8604 9.8678 12.6989 12.7087 13.0128 13.0213 13.0464 13.0566 14.7733 14.7760 k = 0.1750-0.0005-0.0005 ( 2759 PWs) bands (ev): -45.9718 -45.9718 -22.6891 -22.6883 -22.0398 -22.0391 -22.0288 -22.0287 -14.3925 -14.3924 -6.5408 -6.5380 -5.8393 -5.8391 -5.8191 -5.8154 -0.9046 -0.9019 1.0016 1.0019 1.0408 1.0486 7.5865 7.6050 7.9638 7.9802 8.0762 8.0783 8.6876 8.6925 8.7305 8.7338 9.0270 9.0329 9.3278 9.3804 9.7416 9.7969 9.8405 9.8440 12.7056 12.7145 13.0557 13.0641 13.0991 13.1084 14.7728 14.7756 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9718 -45.9718 -22.6896 -22.6889 -22.0411 -22.0403 -22.0288 -22.0287 -14.3883 -14.3882 -6.5473 -6.5444 -5.8380 -5.8378 -5.8117 -5.8078 -0.8969 -0.8941 1.0082 1.0085 1.0528 1.0610 7.5282 7.5447 7.9500 7.9643 8.0597 8.0620 8.6549 8.6614 8.7017 8.7069 9.0022 9.0076 9.2862 9.3317 9.7229 9.7775 9.8198 9.8201 12.7123 12.7204 13.1012 13.1097 13.1537 13.1624 14.7722 14.7752 k = 0.2000-0.0005-0.0005 ( 2761 PWs) bands (ev): -45.9717 -45.9717 -22.6902 -22.6894 -22.0424 -22.0416 -22.0287 -22.0286 -14.3840 -14.3839 -6.5546 -6.5517 -5.8367 -5.8366 -5.8032 -5.7992 -0.8891 -0.8861 1.0151 1.0153 1.0652 1.0737 7.4675 7.4823 7.9358 7.9482 8.0419 8.0443 8.6224 8.6307 8.6733 8.6804 8.9770 8.9819 9.2443 9.2824 9.7035 9.7569 9.7957 9.7993 12.7188 12.7263 13.1491 13.1578 13.2097 13.2182 14.7715 14.7748 k = 0.2125-0.0006-0.0006 ( 2758 PWs) bands (ev): -45.9717 -45.9717 -22.6908 -22.6900 -22.0438 -22.0429 -22.0286 -22.0285 -14.3795 -14.3794 -6.5627 -6.5597 -5.8354 -5.8352 -5.7938 -5.7897 -0.8810 -0.8780 1.0221 1.0224 1.0780 1.0868 7.4051 7.4183 7.9211 7.9318 8.0228 8.0253 8.5903 8.6006 8.6454 8.6544 8.9516 8.9558 9.2024 9.2331 9.6836 9.7350 9.7723 9.7785 12.7254 12.7321 13.1991 13.2081 13.2668 13.2751 14.7708 14.7743 k = 0.2250-0.0006-0.0006 ( 2752 PWs) bands (ev): -45.9717 -45.9717 -22.6914 -22.6906 -22.0451 -22.0442 -22.0285 -22.0285 -14.3750 -14.3748 -6.5715 -6.5685 -5.8340 -5.8339 -5.7834 -5.7792 -0.8729 -0.8697 1.0294 1.0297 1.0911 1.1002 7.3414 7.3532 7.9058 7.9149 8.0025 8.0050 8.5589 8.5712 8.6182 8.6290 8.9261 8.9297 9.1608 9.1842 9.6633 9.7119 9.7500 9.7578 12.7318 12.7379 13.2509 13.2601 13.3246 13.3327 14.7701 14.7737 k = 0.2375-0.0006-0.0006 ( 2751 PWs) bands (ev): -45.9716 -45.9716 -22.6920 -22.6912 -22.0464 -22.0456 -22.0285 -22.0284 -14.3704 -14.3702 -6.5810 -6.5780 -5.8327 -5.8326 -5.7721 -5.7679 -0.8646 -0.8614 1.0367 1.0370 1.1045 1.1137 7.2769 7.2875 7.8899 7.8976 7.9811 7.9837 8.5283 8.5426 8.5916 8.6042 8.9010 8.9037 9.1197 9.1360 9.6427 9.6879 9.7288 9.7372 12.7381 12.7437 13.3041 13.3134 13.3827 13.3907 14.7693 14.7731 k = 0.2500-0.0007-0.0007 ( 2749 PWs) bands (ev): -45.9716 -45.9716 -22.6926 -22.6918 -22.0478 -22.0469 -22.0284 -22.0283 -14.3657 -14.3656 -6.5910 -6.5881 -5.8313 -5.8312 -5.7601 -5.7559 -0.8564 -0.8530 1.0442 1.0445 1.1180 1.1273 7.2122 7.2217 7.8735 7.8798 7.9587 7.9614 8.4987 8.5149 8.5658 8.5800 8.8762 8.8781 9.0795 9.0891 9.6221 9.6634 9.7087 9.7171 12.7443 12.7495 13.3582 13.3675 13.4407 13.4487 14.7684 14.7723 k = 0.2625-0.0007-0.0007 ( 2749 PWs) bands (ev): -45.9715 -45.9715 -22.6932 -22.6924 -22.0492 -22.0483 -22.0283 -22.0282 -14.3610 -14.3609 -6.6015 -6.5986 -5.8299 -5.8299 -5.7474 -5.7432 -0.8481 -0.8448 1.0517 1.0520 1.1315 1.1409 7.1476 7.1561 7.8565 7.8616 7.9357 7.9384 8.4701 8.4882 8.5407 8.5564 8.8521 8.8530 9.0404 9.0438 9.6016 9.6388 9.6894 9.6974 12.7505 12.7552 13.4128 13.4221 13.4984 13.5064 14.7674 14.7715 k = 0.2750-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9715 -45.9715 -22.6938 -22.6930 -22.0505 -22.0496 -22.0282 -22.0281 -14.3564 -14.3562 -6.6123 -6.6096 -5.8286 -5.8285 -5.7341 -5.7300 -0.8400 -0.8366 1.0591 1.0594 1.1450 1.1545 7.0836 7.0913 7.8392 7.8431 7.9122 7.9148 8.4427 8.4626 8.5162 8.5332 8.8286 8.8288 9.0005 9.0027 9.5813 9.6144 9.6709 9.6784 12.7565 12.7608 13.4675 13.4768 13.5555 13.5634 14.7663 14.7706 k = 0.2875-0.0008-0.0008 ( 2755 PWs) bands (ev): -45.9715 -45.9715 -22.6945 -22.6937 -22.0519 -22.0510 -22.0282 -22.0281 -14.3518 -14.3516 -6.6235 -6.6208 -5.8272 -5.8272 -5.7205 -5.7165 -0.8320 -0.8286 1.0666 1.0668 1.1584 1.1678 7.0206 7.0276 7.8215 7.8244 7.8884 7.8909 8.4165 8.4380 8.4924 8.5103 8.8049 8.8065 8.9597 8.9667 9.5613 9.5907 9.6532 9.6599 12.7624 12.7663 13.5218 13.5310 13.6116 13.6195 14.7652 14.7696 k = 0.3000-0.0008-0.0008 ( 2755 PWs) bands (ev): -45.9714 -45.9714 -22.6951 -22.6943 -22.0532 -22.0524 -22.0281 -22.0280 -14.3472 -14.3471 -6.6347 -6.6321 -5.8259 -5.8259 -5.7066 -5.7027 -0.8241 -0.8207 1.0739 1.0742 1.1717 1.1810 6.9591 6.9654 7.8037 7.8057 7.8645 7.8670 8.3916 8.4146 8.4691 8.4876 8.7822 8.7851 8.9217 8.9327 9.5419 9.5676 9.6362 9.6422 12.7681 12.7717 13.5755 13.5845 13.6665 13.6743 14.7640 14.7685 k = 0.3125-0.0008-0.0008 ( 2756 PWs) bands (ev): -45.9714 -45.9714 -22.6957 -22.6949 -22.0544 -22.0536 -22.0280 -22.0280 -14.3428 -14.3427 -6.6459 -6.6435 -5.8246 -5.8246 -5.6926 -5.6889 -0.8165 -0.8131 1.0810 1.0813 1.1846 1.1938 6.8993 6.9051 7.7858 7.7870 7.8409 7.8432 8.3680 8.3923 8.4465 8.4651 8.7604 8.7649 8.8868 8.9009 9.5230 9.5455 9.6199 9.6253 12.7737 12.7770 13.6281 13.6368 13.7198 13.7276 14.7626 14.7673 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9713 -45.9713 -22.6962 -22.6955 -22.0557 -22.0549 -22.0279 -22.0279 -14.3385 -14.3384 -6.6571 -6.6547 -5.8234 -5.8234 -5.6787 -5.6751 -0.8091 -0.8058 1.0880 1.0883 1.1972 1.2062 6.8417 6.8470 7.7681 7.7686 7.8177 7.8198 8.3458 8.3711 8.4245 8.4427 8.7397 8.7458 8.8553 8.8713 9.5049 9.5244 9.6045 9.6092 12.7791 12.7821 13.6792 13.6877 13.7713 13.7790 14.7612 14.7660 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9713 -45.9713 -22.6968 -22.6961 -22.0568 -22.0561 -22.0278 -22.0278 -14.3344 -14.3343 -6.6680 -6.6658 -5.8222 -5.8222 -5.6649 -5.6615 -0.8020 -0.7988 1.0948 1.0950 1.2094 1.2181 6.7866 6.7914 7.7506 7.7507 7.7952 7.7971 8.3248 8.3510 8.4032 8.4205 8.7200 8.7278 8.8272 8.8443 9.4875 9.5045 9.5899 9.5940 12.7842 12.7870 13.7285 13.7366 13.8208 13.8283 14.7597 14.7645 k = 0.3500-0.0009-0.0009 ( 2758 PWs) bands (ev): -45.9713 -45.9713 -22.6973 -22.6967 -22.0579 -22.0572 -22.0278 -22.0277 -14.3304 -14.3303 -6.6785 -6.6765 -5.8211 -5.8210 -5.6515 -5.6483 -0.7953 -0.7922 1.1012 1.1014 1.2211 1.2294 6.7343 6.7386 7.7331 7.7337 7.7735 7.7751 8.3053 8.3321 8.3827 8.3986 8.7015 8.7109 8.8026 8.8198 9.4711 9.4857 9.5761 9.5797 12.7891 12.7917 13.7757 13.7834 13.8679 13.8753 14.7582 14.7629 k = 0.3625-0.0010-0.0010 ( 2760 PWs) bands (ev): -45.9712 -45.9712 -22.6978 -22.6972 -22.0590 -22.0583 -22.0277 -22.0277 -14.3267 -14.3266 -6.6887 -6.6868 -5.8200 -5.8200 -5.6385 -5.6355 -0.7889 -0.7860 1.1073 1.1075 1.2322 1.2401 6.6851 6.6890 7.7164 7.7174 7.7529 7.7543 8.2871 8.3143 8.3631 8.3771 8.6843 8.6951 8.7813 8.7979 9.4557 9.4681 9.5633 9.5665 12.7938 12.7961 13.8204 13.8277 13.9125 13.9197 14.7565 14.7613 k = 0.3750-0.0010-0.0010 ( 2766 PWs) bands (ev): -45.9712 -45.9712 -22.6983 -22.6977 -22.0600 -22.0594 -22.0277 -22.0276 -14.3232 -14.3231 -6.6982 -6.6965 -5.8190 -5.8190 -5.6261 -5.6234 -0.7830 -0.7802 1.1130 1.1133 1.2426 1.2500 6.6392 6.6427 7.7006 7.7018 7.7336 7.7347 8.2704 8.2976 8.3446 8.3564 8.6685 8.6803 8.7631 8.7785 9.4414 9.4520 9.5515 9.5542 12.7982 12.8002 13.8624 13.8692 13.9542 13.9611 14.7549 14.7595 k = 0.3875-0.0010-0.0010 ( 2765 PWs) bands (ev): -45.9712 -45.9712 -22.6987 -22.6982 -22.0608 -22.0603 -22.0276 -22.0276 -14.3200 -14.3199 -6.7072 -6.7056 -5.8181 -5.8181 -5.6145 -5.6120 -0.7775 -0.7749 1.1184 1.1186 1.2523 1.2592 6.5970 6.6001 7.6859 7.6872 7.7156 7.7164 8.2552 8.2820 8.3272 8.3366 8.6542 8.6667 8.7477 8.7616 9.4282 9.4371 9.5407 9.5430 12.8022 12.8040 13.9013 13.9076 13.9929 13.9995 14.7532 14.7577 k = 0.4000-0.0011-0.0011 ( 2762 PWs) bands (ev): -45.9712 -45.9712 -22.6991 -22.6986 -22.0616 -22.0611 -22.0276 -22.0275 -14.3170 -14.3169 -6.7154 -6.7140 -5.8172 -5.8172 -5.6038 -5.6015 -0.7725 -0.7701 1.1233 1.1234 1.2613 1.2675 6.5586 6.5613 7.6723 7.6737 7.6992 7.6998 8.2416 8.2676 8.3112 8.3182 8.6415 8.6541 8.7348 8.7471 9.4163 9.4237 9.5309 9.5329 12.8059 12.8075 13.9369 13.9427 14.0284 14.0346 14.7515 14.7558 k = 0.4125-0.0011-0.0011 ( 2758 PWs) bands (ev): -45.9711 -45.9711 -22.6994 -22.6990 -22.0623 -22.0618 -22.0275 -22.0275 -14.3143 -14.3143 -6.7228 -6.7216 -5.8165 -5.8165 -5.5940 -5.5920 -0.7680 -0.7658 1.1276 1.1278 1.2694 1.2750 6.5242 6.5266 7.6601 7.6614 7.6845 7.6848 8.2296 8.2542 8.2967 8.3015 8.6305 8.6427 8.7241 8.7347 9.4057 9.4118 9.5222 9.5239 12.8093 12.8107 13.9690 13.9742 14.0604 14.0660 14.7499 14.7539 k = 0.4250-0.0011-0.0011 ( 2764 PWs) bands (ev): -45.9711 -45.9711 -22.6997 -22.6993 -22.0630 -22.0626 -22.0275 -22.0275 -14.3120 -14.3119 -6.7294 -6.7284 -5.8158 -5.8158 -5.5853 -5.5835 -0.7640 -0.7621 1.1315 1.1317 1.2765 1.2814 6.4941 6.4961 7.6493 7.6504 7.6715 7.6716 8.2193 8.2420 8.2839 8.2867 8.6212 8.6325 8.7154 8.7243 9.3964 9.4014 9.5147 9.5161 12.8122 12.8134 13.9974 14.0019 14.0886 14.0937 14.7484 14.7520 k = 0.4375-0.0012-0.0012 ( 2764 PWs) bands (ev): -45.9711 -45.9711 -22.6999 -22.6996 -22.0635 -22.0631 -22.0274 -22.0274 -14.3100 -14.3099 -6.7351 -6.7342 -5.8152 -5.8152 -5.5777 -5.5763 -0.7605 -0.7589 1.1348 1.1350 1.2828 1.2869 6.4683 6.4701 7.6399 7.6409 7.6603 7.6603 8.2107 8.2309 8.2728 8.2741 8.6136 8.6236 8.7084 8.7157 9.3885 9.3924 9.5082 9.5094 12.8148 12.8158 14.0218 14.0256 14.1131 14.1175 14.7470 14.7502 k = 0.4500-0.0012-0.0012 ( 2760 PWs) bands (ev): -45.9711 -45.9711 -22.7001 -22.6999 -22.0639 -22.0636 -22.0274 -22.0274 -14.3083 -14.3083 -6.7397 -6.7390 -5.8148 -5.8148 -5.5714 -5.5702 -0.7576 -0.7564 1.1376 1.1377 1.2880 1.2914 6.4471 6.4485 7.6322 7.6330 7.6510 7.6511 8.2041 8.2211 8.2635 8.2639 8.6076 8.6160 8.7031 8.7088 9.3820 9.3850 9.5030 9.5039 12.8169 12.8177 14.0420 14.0451 14.1334 14.1371 14.7459 14.7485 k = 0.4625-0.0012-0.0012 ( 2758 PWs) bands (ev): -45.9711 -45.9711 -22.7003 -22.7001 -22.0642 -22.0640 -22.0274 -22.0274 -14.3070 -14.3070 -6.7434 -6.7429 -5.8144 -5.8144 -5.5664 -5.5655 -0.7553 -0.7544 1.1398 1.1399 1.2923 1.2948 6.4306 6.4316 7.6261 7.6267 7.6437 7.6439 8.1994 8.2126 8.2560 8.2562 8.6032 8.6097 8.6992 8.7034 9.3770 9.3792 9.4989 9.4996 12.8186 12.8192 14.0580 14.0604 14.1496 14.1524 14.7450 14.7471 k = 0.4750-0.0013-0.0013 ( 2754 PWs) bands (ev): -45.9711 -45.9711 -22.7003 -22.7002 -22.0644 -22.0642 -22.0274 -22.0273 -14.3061 -14.3060 -6.7460 -6.7456 -5.8141 -5.8141 -5.5627 -5.5621 -0.7537 -0.7530 1.1414 1.1414 1.2954 1.2971 6.4187 6.4194 7.6218 7.6221 7.6385 7.6387 8.1967 8.2057 8.2505 8.2508 8.6005 8.6049 8.6967 8.6995 9.3735 9.3749 9.4960 9.4964 12.8198 12.8202 14.0697 14.0712 14.1614 14.1633 14.7444 14.7459 k = 0.4875-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7003 -22.0645 -22.0644 -22.0274 -22.0274 -14.3055 -14.3055 -6.7475 -6.7474 -5.8140 -5.8140 -5.5605 -5.5602 -0.7526 -0.7522 1.1423 1.1423 1.2975 1.2984 6.4117 6.4120 7.6192 7.6194 7.6354 7.6355 8.1960 8.2006 8.2473 8.2475 8.5993 8.6016 8.6954 8.6968 9.3715 9.3722 9.4943 9.4945 12.8206 12.8208 14.0769 14.0776 14.1687 14.1697 14.7442 14.7450 k = 0.5000-0.0013-0.0013 ( 2762 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7004 -22.0645 -22.0645 -22.0274 -22.0274 -14.3053 -14.3053 -6.7480 -6.7480 -5.8139 -5.8139 -5.5596 -5.5596 -0.7521 -0.7521 1.1426 1.1426 1.2985 1.2985 6.4094 6.4094 7.6184 7.6184 7.6344 7.6344 8.1973 8.1973 8.2463 8.2463 8.5997 8.5997 8.6955 8.6955 9.3711 9.3711 9.4938 9.4938 12.8210 12.8210 14.0795 14.0795 14.1715 14.1715 14.7444 14.7444 k = 0.5000-0.0013-0.0013 ( 2762 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7004 -22.0645 -22.0645 -22.0274 -22.0274 -14.3053 -14.3053 -6.7480 -6.7480 -5.8139 -5.8139 -5.5596 -5.5596 -0.7521 -0.7521 1.1426 1.1426 1.2985 1.2985 6.4094 6.4094 7.6184 7.6184 7.6344 7.6344 8.1973 8.1973 8.2463 8.2463 8.5997 8.5997 8.6955 8.6955 9.3711 9.3711 9.4938 9.4938 12.8210 12.8210 14.0795 14.0795 14.1715 14.1715 14.7444 14.7444 k = 0.5000 0.0075-0.0102 ( 2756 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7004 -22.0646 -22.0645 -22.0274 -22.0273 -14.3052 -14.3052 -6.7473 -6.7471 -5.8140 -5.8136 -5.5601 -5.5599 -0.7536 -0.7509 1.1402 1.1449 1.2971 1.2986 6.4088 6.4094 7.6132 7.6199 7.6325 7.6389 8.1785 8.2026 8.2254 8.2540 8.5928 8.6226 8.6844 8.7179 9.3547 9.3700 9.4911 9.5072 12.8209 12.8232 14.0787 14.0799 14.1709 14.1721 14.7476 14.7487 k = 0.5000 0.0164-0.0191 ( 2752 PWs) bands (ev): -45.9711 -45.9711 -22.7005 -22.7004 -22.0646 -22.0645 -22.0276 -22.0274 -14.3048 -14.3048 -6.7452 -6.7447 -5.8137 -5.8130 -5.5613 -5.5609 -0.7554 -0.7501 1.1377 1.1470 1.2944 1.2973 6.4077 6.4089 7.6067 7.6160 7.6351 7.6437 8.1470 8.1853 8.2023 8.2503 8.6021 8.6565 8.6869 8.7494 9.3272 9.3510 9.4994 9.5249 12.8230 12.8275 14.0775 14.0799 14.1706 14.1728 14.7583 14.7604 k = 0.5000 0.0253-0.0281 ( 2750 PWs) bands (ev): -45.9710 -45.9710 -22.7007 -22.7004 -22.0647 -22.0645 -22.0279 -22.0275 -14.3043 -14.3043 -6.7415 -6.7408 -5.8132 -5.8121 -5.5633 -5.5626 -0.7576 -0.7497 1.1349 1.1488 1.2905 1.2949 6.4061 6.4078 7.5991 7.6093 7.6393 7.6483 8.1052 8.1402 8.1886 8.2385 8.6241 8.6870 8.7117 8.7875 9.2933 9.3207 9.5123 9.5422 12.8273 12.8340 14.0760 14.0795 14.1705 14.1736 14.7762 14.7793 k = 0.5000 0.0342-0.0370 ( 2750 PWs) bands (ev): -45.9710 -45.9710 -22.7008 -22.7005 -22.0648 -22.0645 -22.0282 -22.0277 -14.3035 -14.3035 -6.7363 -6.7354 -5.8125 -5.8110 -5.5659 -5.5650 -0.7601 -0.7496 1.1319 1.1503 1.2854 1.2913 6.4039 6.4062 7.5904 7.6012 7.6437 7.6526 8.0559 8.0863 8.1716 8.2214 8.6547 8.7108 8.7568 8.8299 9.2552 9.2841 9.5252 9.5572 12.8341 12.8429 14.0745 14.0789 14.1706 14.1745 14.8012 14.8052 k = 0.5000 0.0431-0.0459 ( 2748 PWs) bands (ev): -45.9710 -45.9710 -22.7011 -22.7006 -22.0650 -22.0646 -22.0286 -22.0280 -14.3024 -14.3024 -6.7296 -6.7285 -5.8114 -5.8096 -5.5692 -5.5681 -0.7630 -0.7500 1.1284 1.1514 1.2794 1.2866 6.4013 6.4041 7.5803 7.5919 7.6478 7.6565 8.0014 8.0279 8.1523 8.2013 8.6910 8.7392 8.8064 8.8747 9.2143 9.2436 9.5357 9.5687 12.8436 12.8543 14.0731 14.0781 14.1709 14.1754 14.8327 14.8376 k = 0.5000 0.0519-0.0548 ( 2748 PWs) bands (ev): -45.9710 -45.9710 -22.7013 -22.7008 -22.0651 -22.0647 -22.0291 -22.0284 -14.3012 -14.3012 -6.7215 -6.7201 -5.8101 -5.8080 -5.5731 -5.5718 -0.7664 -0.7508 1.1243 1.1516 1.2725 1.2810 6.3982 6.4015 7.5685 7.5810 7.6516 7.6599 7.9437 7.9675 8.1319 8.1797 8.7311 8.7724 8.8568 8.9203 9.1714 9.2009 9.5429 9.5764 12.8559 12.8684 14.0720 14.0774 14.1714 14.1763 14.8706 14.8763 k = 0.5000 0.0608-0.0637 ( 2752 PWs) bands (ev): -45.9710 -45.9710 -22.7016 -22.7011 -22.0653 -22.0648 -22.0297 -22.0288 -14.2997 -14.2997 -6.7119 -6.7103 -5.8086 -5.8060 -5.5777 -5.5761 -0.7703 -0.7523 1.1195 1.1508 1.2650 1.2746 6.3948 6.3986 7.5544 7.5683 7.6548 7.6627 7.8846 7.9069 8.1112 8.1578 8.7736 8.8095 8.9063 8.9653 9.1276 9.1575 9.5466 9.5801 12.8713 12.8854 14.0712 14.0769 14.1723 14.1775 14.9142 14.9206 k = 0.5000 0.0697-0.0726 ( 2750 PWs) bands (ev): -45.9710 -45.9710 -22.7020 -22.7013 -22.0655 -22.0649 -22.0303 -22.0293 -14.2981 -14.2980 -6.7008 -6.6990 -5.8068 -5.8039 -5.5827 -5.5809 -0.7748 -0.7543 1.1137 1.1485 1.2574 1.2676 6.3910 6.3952 7.5373 7.5529 7.6573 7.6647 7.8257 7.8480 8.0911 8.1362 8.8175 8.8490 8.9527 9.0063 9.0853 9.1169 9.5464 9.5798 12.8901 12.9055 14.0710 14.0768 14.1735 14.1788 14.9632 14.9702 k = 0.5000 0.0786-0.0815 ( 2752 PWs) bands (ev): -45.9709 -45.9709 -22.7024 -22.7016 -22.0658 -22.0651 -22.0310 -22.0300 -14.2962 -14.2962 -6.6883 -6.6863 -5.8047 -5.8015 -5.5883 -5.5863 -0.7798 -0.7570 1.1066 1.1442 1.2501 1.2601 6.3869 6.3916 7.5163 7.5337 7.6588 7.6657 7.7693 7.7924 8.0717 8.1156 8.8613 8.8891 8.9864 9.0247 9.0572 9.0971 9.5426 9.5755 12.9122 12.9289 14.0713 14.0772 14.1751 14.1805 15.0171 15.0247 k = 0.5000 0.0875-0.0904 ( 2754 PWs) bands (ev): -45.9709 -45.9709 -22.7028 -22.7020 -22.0660 -22.0653 -22.0318 -22.0306 -14.2941 -14.2941 -6.6744 -6.6722 -5.8024 -5.7988 -5.5942 -5.5920 -0.7856 -0.7604 1.0981 1.1375 1.2433 1.2524 6.3826 6.3877 7.4901 7.5090 7.6592 7.6655 7.7177 7.7416 8.0535 8.0961 8.9003 8.9205 8.9836 9.0027 9.0738 9.1220 9.5354 9.5677 12.9378 12.9556 14.0723 14.0781 14.1773 14.1827 15.0754 15.0834 k = 0.5000 0.0963-0.0993 ( 2744 PWs) bands (ev): -45.9709 -45.9709 -22.7032 -22.7023 -22.0662 -22.0654 -22.0326 -22.0313 -14.2918 -14.2918 -6.6591 -6.6567 -5.7998 -5.7959 -5.6005 -5.5981 -0.7921 -0.7647 1.0879 1.1280 1.2373 1.2446 6.3782 6.3835 7.4580 7.4773 7.6583 7.6625 7.6745 7.6972 8.0365 8.0780 8.9053 8.9130 8.9953 9.0010 9.1133 9.1614 9.5252 9.5565 12.9670 12.9856 14.0741 14.0797 14.1801 14.1854 15.1377 15.1462 k = 0.5000 0.1052-0.1082 ( 2744 PWs) bands (ev): -45.9708 -45.9708 -22.7037 -22.7027 -22.0665 -22.0656 -22.0336 -22.0322 -14.2894 -14.2894 -6.6425 -6.6399 -5.7970 -5.7928 -5.6071 -5.6046 -0.7994 -0.7698 1.0758 1.1158 1.2319 1.2369 6.3736 6.3793 7.4200 7.4379 7.6358 7.6552 7.6578 7.6641 8.0209 8.0614 8.8649 8.8797 9.0286 9.0430 9.1558 9.2023 9.5124 9.5426 12.9996 13.0189 14.0766 14.0821 14.1836 14.1888 15.2036 15.2124 k = 0.5000 0.1141-0.1171 ( 2748 PWs) bands (ev): -45.9708 -45.9708 -22.7042 -22.7032 -22.0668 -22.0659 -22.0346 -22.0330 -14.2867 -14.2867 -6.6246 -6.6218 -5.7940 -5.7895 -5.6139 -5.6112 -0.8075 -0.7759 1.0618 1.1008 1.2264 1.2300 6.3691 6.3749 7.3769 7.3923 7.6072 7.6270 7.6515 7.6575 8.0066 8.0462 8.8188 8.8345 9.0741 9.0897 9.1979 9.2428 9.4977 9.5265 13.0356 13.0555 14.0801 14.0853 14.1878 14.1929 15.2727 15.2818 k = 0.5000 0.1230-0.1260 ( 2744 PWs) bands (ev): -45.9708 -45.9708 -22.7047 -22.7036 -22.0671 -22.0661 -22.0356 -22.0340 -14.2839 -14.2839 -6.6055 -6.6025 -5.7907 -5.7860 -5.6208 -5.6180 -0.8165 -0.7829 1.0460 1.0834 1.2191 1.2246 6.3645 6.3705 7.3307 7.3431 7.5835 7.6001 7.6452 7.6506 7.9936 8.0324 8.7717 8.7867 9.1223 9.1380 9.2389 9.2821 9.4818 9.5089 13.0749 13.0951 14.0844 14.0893 14.1929 14.1978 15.3446 15.3540 k = 0.5000 0.1319-0.1349 ( 2748 PWs) bands (ev): -45.9707 -45.9707 -22.7053 -22.7041 -22.0674 -22.0664 -22.0367 -22.0350 -14.2810 -14.2810 -6.5851 -6.5819 -5.7873 -5.7823 -5.6278 -5.6248 -0.8265 -0.7910 1.0282 1.0639 1.2107 1.2199 6.3601 6.3660 7.2833 7.2928 7.5629 7.5764 7.6367 7.6417 7.9817 8.0199 8.7246 8.7383 9.1715 9.1870 9.2786 9.3198 9.4658 9.4907 13.1171 13.1376 14.0896 14.0943 14.1989 14.2037 15.4191 15.4285 k = 0.5000 0.1407-0.1438 ( 2752 PWs) bands (ev): -45.9707 -45.9707 -22.7059 -22.7047 -22.0678 -22.0667 -22.0378 -22.0360 -14.2779 -14.2779 -6.5636 -6.5602 -5.7837 -5.7784 -5.6348 -5.6317 -0.8374 -0.8001 1.0086 1.0425 1.2016 1.2146 6.3557 6.3616 7.2363 7.2431 7.5440 7.5546 7.6261 7.6307 7.9707 8.0084 8.6781 8.6902 9.2208 9.2362 9.3167 9.3551 9.4510 9.4729 13.1621 13.1827 14.0959 14.1003 14.2058 14.2104 15.4956 15.5052 k = 0.5000 0.1496-0.1527 ( 2750 PWs) bands (ev): -45.9706 -45.9706 -22.7065 -22.7053 -22.0681 -22.0670 -22.0390 -22.0371 -14.2746 -14.2746 -6.5409 -6.5374 -5.7798 -5.7743 -5.6418 -5.6385 -0.8494 -0.8104 0.9875 1.0196 1.1915 1.2084 6.3516 6.3573 7.1911 7.1954 7.5255 7.5339 7.6131 7.6175 7.9605 7.9980 8.6323 8.6427 9.2699 9.2854 9.3528 9.3849 9.4409 9.4572 13.2097 13.2303 14.1032 14.1073 14.2137 14.2182 15.5740 15.5837 k = 0.5000 0.1585-0.1616 ( 2750 PWs) bands (ev): -45.9706 -45.9706 -22.7072 -22.7058 -22.0684 -22.0673 -22.0402 -22.0383 -14.2713 -14.2713 -6.5172 -6.5135 -5.7758 -5.7701 -5.6485 -5.6451 -0.8623 -0.8217 0.9648 0.9954 1.1803 1.2009 6.3476 6.3530 7.1483 7.1507 7.5068 7.5136 7.5978 7.6022 7.9510 7.9883 8.5875 8.5960 9.3183 9.3341 9.3838 9.4001 9.4382 9.4551 13.2594 13.2799 14.1115 14.1154 14.2226 14.2269 15.6540 15.6636 k = 0.5000 0.1674-0.1705 ( 2750 PWs) bands (ev): -45.9706 -45.9706 -22.7078 -22.7065 -22.0688 -22.0676 -22.0415 -22.0395 -14.2678 -14.2678 -6.4924 -6.4886 -5.7716 -5.7657 -5.6551 -5.6516 -0.8762 -0.8341 0.9409 0.9699 1.1677 1.1918 6.3437 6.3488 7.1084 7.1101 7.4871 7.4934 7.5804 7.5849 7.9418 7.9793 8.5435 8.5502 9.3651 9.3813 9.3922 9.4092 9.4426 9.4792 13.3110 13.3314 14.1210 14.1246 14.2324 14.2367 15.7351 15.7448 k = 0.5000 0.1763-0.1794 ( 2752 PWs) bands (ev): -45.9705 -45.9705 -22.7085 -22.7071 -22.0692 -22.0679 -22.0428 -22.0407 -14.2642 -14.2642 -6.4667 -6.4628 -5.7673 -5.7612 -5.6614 -5.6578 -0.8911 -0.8476 0.9158 0.9435 1.1536 1.1809 6.3400 6.3446 7.0714 7.0746 7.4659 7.4730 7.5609 7.5657 7.9331 7.9709 8.5006 8.5053 9.3836 9.4012 9.4175 9.4300 9.4695 9.5103 13.3642 13.3843 14.1315 14.1349 14.2433 14.2474 15.8173 15.8268 k = 0.5000 0.1852-0.1883 ( 2750 PWs) bands (ev): -45.9705 -45.9705 -22.7092 -22.7077 -22.0695 -22.0683 -22.0441 -22.0420 -14.2605 -14.2605 -6.4401 -6.4361 -5.7628 -5.7565 -5.6673 -5.6636 -0.9070 -0.8622 0.8896 0.9161 1.1377 1.1680 6.3364 6.3404 7.0385 7.0438 7.4429 7.4517 7.5396 7.5451 7.9246 7.9630 8.4586 8.4615 9.3798 9.3978 9.4601 9.4743 9.5031 9.5430 13.4187 13.4385 14.1432 14.1464 14.2551 14.2592 15.9001 15.9095 k = 0.5000 0.1940-0.1972 ( 2754 PWs) bands (ev): -45.9704 -45.9704 -22.7099 -22.7084 -22.0699 -22.0686 -22.0455 -22.0433 -14.2568 -14.2568 -6.4127 -6.4085 -5.7583 -5.7518 -5.6728 -5.6691 -0.9239 -0.8779 0.8626 0.8880 1.1199 1.1528 6.3328 6.3362 7.0102 7.0178 7.4181 7.4289 7.5169 7.5231 7.9165 7.9555 8.4175 8.4189 9.3787 9.3951 9.5031 9.5145 9.5405 9.5763 13.4742 13.4936 14.1561 14.1590 14.2679 14.2719 15.9833 15.9926 k = 0.5000 0.2029-0.2061 ( 2750 PWs) bands (ev): -45.9703 -45.9703 -22.7106 -22.7091 -22.0703 -22.0690 -22.0468 -22.0446 -14.2530 -14.2529 -6.3845 -6.3802 -5.7536 -5.7470 -5.6778 -5.6741 -0.9417 -0.8946 0.8348 0.8592 1.1000 1.1354 6.3292 6.3319 6.9867 6.9968 7.3913 7.4043 7.4930 7.5003 7.9086 7.9485 8.3768 8.3782 9.3814 9.3961 9.5438 9.5498 9.5815 9.6104 13.5303 13.5494 14.1700 14.1728 14.2816 14.2855 16.0666 16.0758 k = 0.5000 0.2118-0.2151 ( 2758 PWs) bands (ev): -45.9703 -45.9703 -22.7114 -22.7099 -22.0707 -22.0694 -22.0483 -22.0460 -14.2491 -14.2491 -6.3556 -6.3513 -5.7489 -5.7421 -5.6823 -5.6787 -0.9603 -0.9123 0.8064 0.8300 1.0779 1.1156 6.3254 6.3275 6.9681 6.9810 7.3626 7.3777 7.4682 7.4769 7.9010 7.9419 8.3368 8.3395 9.3881 9.4012 9.5801 9.5835 9.6240 9.6456 13.5868 13.6054 14.1851 14.1877 14.2962 14.3001 16.1496 16.1587 k = 0.5000 0.2207-0.2240 ( 2752 PWs) bands (ev): -45.9702 -45.9702 -22.7121 -22.7106 -22.0711 -22.0697 -22.0497 -22.0473 -14.2452 -14.2451 -6.3261 -6.3217 -5.7441 -5.7372 -5.6863 -5.6827 -0.9798 -0.9309 0.7775 0.8003 1.0537 1.0934 6.3213 6.3229 6.9544 6.9701 7.3321 7.3493 7.4425 7.4529 7.8936 7.9356 8.2984 8.3024 9.3991 9.4107 9.6109 9.6181 9.6664 9.6818 13.6435 13.6616 14.2013 14.2037 14.3116 14.3154 16.2322 16.2412 k = 0.5000 0.2296-0.2329 ( 2746 PWs) bands (ev): -45.9702 -45.9702 -22.7128 -22.7113 -22.0714 -22.0701 -22.0510 -22.0487 -14.2412 -14.2412 -6.2960 -6.2916 -5.7392 -5.7322 -5.6896 -5.6861 -1.0000 -0.9504 0.7482 0.7703 1.0272 1.0687 6.3166 6.3182 6.9452 6.9641 7.3003 7.3194 7.4161 7.4285 7.8865 7.9297 8.2620 8.2673 9.4141 9.4243 9.6400 9.6507 9.7080 9.7188 13.7000 13.7176 14.2186 14.2208 14.3278 14.3316 16.3139 16.3228 k = 0.5000 0.2384-0.2418 ( 2744 PWs) bands (ev): -45.9701 -45.9701 -22.7136 -22.7120 -22.0718 -22.0704 -22.0525 -22.0501 -14.2373 -14.2372 -6.2656 -6.2611 -5.7344 -5.7274 -5.6922 -5.6888 -1.0210 -0.9707 0.7187 0.7401 0.9987 1.0417 6.3114 6.3133 6.9401 6.9624 7.2677 7.2887 7.3887 7.4035 7.8795 7.9239 8.2280 8.2344 9.4331 9.4420 9.6683 9.6812 9.7484 9.7559 13.7561 13.7732 14.2368 14.2389 14.3448 14.3485 16.3944 16.4032 k = 0.5000 0.2473-0.2507 ( 2742 PWs) bands (ev): -45.9701 -45.9701 -22.7143 -22.7127 -22.0722 -22.0708 -22.0539 -22.0515 -14.2333 -14.2333 -6.2347 -6.2302 -5.7297 -5.7226 -5.6940 -5.6909 -1.0426 -0.9918 0.6891 0.7099 0.9680 1.0124 6.3057 6.3079 6.9383 6.9642 7.2354 7.2585 7.3602 7.3780 7.8726 7.9183 8.1967 8.2042 9.4557 9.4635 9.6959 9.7103 9.7875 9.7926 13.8116 13.8281 14.2561 14.2579 14.3624 14.3660 16.4733 16.4819 k = 0.5000 0.2562-0.2596 ( 2742 PWs) bands (ev): -45.9700 -45.9700 -22.7151 -22.7135 -22.0726 -22.0712 -22.0553 -22.0529 -14.2293 -14.2293 -6.2035 -6.1990 -5.7252 -5.7179 -5.6951 -5.6923 -1.0648 -1.0135 0.6594 0.6796 0.9354 0.9810 6.2993 6.3019 6.9387 6.9682 7.2048 7.2299 7.3306 7.3518 7.8658 7.9128 8.1686 8.1769 9.4817 9.4885 9.7230 9.7381 9.8252 9.8285 13.8664 13.8823 14.2762 14.2779 14.3805 14.3842 16.5500 16.5587 k = 0.5000 0.2651-0.2685 ( 2748 PWs) bands (ev): -45.9700 -45.9700 -22.7159 -22.7143 -22.0730 -22.0716 -22.0567 -22.0543 -14.2254 -14.2254 -6.1722 -6.1677 -5.7208 -5.7136 -5.6952 -5.6927 -1.0874 -1.0359 0.6298 0.6494 0.9011 0.9476 6.2924 6.2953 6.9394 6.9719 7.1779 7.2051 7.2997 7.3254 7.8591 7.9072 8.1440 8.1529 9.5107 9.5166 9.7497 9.7652 9.8613 9.8634 13.9201 13.9354 14.2972 14.2988 14.3992 14.4028 16.6240 16.6329 k = 0.5000 0.2740-0.2774 ( 2750 PWs) bands (ev): -45.9699 -45.9699 -22.7166 -22.7150 -22.0734 -22.0720 -22.0581 -22.0557 -14.2215 -14.2215 -6.1408 -6.1363 -5.7168 -5.7096 -5.6945 -5.6921 -1.1105 -1.0589 0.6004 0.6194 0.8651 0.9124 6.2848 6.2879 6.9383 6.9721 7.1570 7.1866 7.2674 7.2995 7.8525 7.9016 8.1230 8.1324 9.5424 9.5474 9.7761 9.7916 9.8958 9.8971 13.9726 13.9873 14.3190 14.3203 14.4183 14.4219 16.6948 16.7040 k = 0.5000 0.2828-0.2863 ( 2752 PWs) bands (ev): -45.9699 -45.9699 -22.7174 -22.7158 -22.0738 -22.0724 -22.0595 -22.0571 -14.2176 -14.2176 -6.1094 -6.1049 -5.7133 -5.7060 -5.6929 -5.6904 -1.1339 -1.0823 0.5713 0.5898 0.8278 0.8756 6.2765 6.2797 6.9327 6.9650 7.1434 7.1777 7.2340 7.2759 7.8463 7.8961 8.1057 8.1153 9.5763 9.5806 9.8022 9.8175 9.9285 9.9296 14.0238 14.0378 14.3414 14.3426 14.4378 14.4413 16.7617 16.7713 k = 0.5000 0.2917-0.2952 ( 2750 PWs) bands (ev): -45.9698 -45.9698 -22.7181 -22.7165 -22.0741 -22.0728 -22.0608 -22.0585 -14.2138 -14.2138 -6.0780 -6.0736 -5.7100 -5.7029 -5.6905 -5.6875 -1.1575 -1.1060 0.5425 0.5605 0.7893 0.8374 6.2673 6.2705 6.9212 6.9493 7.1337 7.1810 7.1994 7.2580 7.8406 7.8910 8.0920 8.1015 9.6122 9.6158 9.8281 9.8431 9.9595 9.9608 14.0734 14.0867 14.3645 14.3655 14.4575 14.4609 16.8237 16.8341 k = 0.5000 0.3006-0.3041 ( 2756 PWs) bands (ev): -45.9697 -45.9697 -22.7188 -22.7173 -22.0745 -22.0732 -22.0621 -22.0598 -14.2101 -14.2101 -6.0469 -6.0425 -5.7070 -5.7001 -5.6874 -5.6838 -1.1813 -1.1301 0.5143 0.5317 0.7500 0.7982 6.2573 6.2604 6.9040 6.9270 7.1210 7.1637 7.1959 7.2512 7.8356 7.8864 8.0815 8.0907 9.6497 9.6527 9.8538 9.8683 9.9888 9.9905 14.1214 14.1340 14.3880 14.3889 14.4774 14.4807 16.8800 16.8914 k = 0.5000 0.3095-0.3130 ( 2748 PWs) bands (ev): -45.9697 -45.9697 -22.7195 -22.7180 -22.0748 -22.0736 -22.0634 -22.0611 -14.2065 -14.2064 -6.0161 -6.0118 -5.7040 -5.6973 -5.6836 -5.6797 -1.2051 -1.1543 0.4866 0.5034 0.7101 0.7582 6.2462 6.2493 6.8827 6.9010 7.1009 7.1274 7.2187 7.2587 7.8316 7.8828 8.0739 8.0827 9.6884 9.6909 9.8794 9.8934 10.0166 10.0186 14.1676 14.1795 14.4120 14.4126 14.4974 14.5006 16.9296 16.9425 k = 0.5000 0.3184-0.3219 ( 2740 PWs) bands (ev): -45.9696 -45.9696 -22.7201 -22.7187 -22.0751 -22.0739 -22.0646 -22.0624 -14.2029 -14.2029 -5.9856 -5.9815 -5.7008 -5.6943 -5.6795 -5.6754 -1.2288 -1.1786 0.4596 0.4758 0.6698 0.7176 6.2342 6.2371 6.8590 6.8737 7.0741 7.0908 7.2463 7.2786 7.8289 7.8805 8.0687 8.0772 9.7281 9.7300 9.9049 9.9183 10.0428 10.0452 14.2119 14.2231 14.4362 14.4367 14.5173 14.5205 16.9714 16.9863 k = 0.5000 0.3272-0.3308 ( 2744 PWs) bands (ev): -45.9696 -45.9696 -22.7208 -22.7194 -22.0755 -22.0743 -22.0658 -22.0636 -14.1994 -14.1994 -5.9557 -5.9517 -5.6975 -5.6912 -5.6752 -5.6710 -1.2524 -1.2030 0.4333 0.4490 0.6296 0.6768 6.2210 6.2237 6.8345 6.8463 7.0433 7.0539 7.2766 7.3066 7.8277 7.8798 8.0656 8.0737 9.7683 9.7697 9.9303 9.9431 10.0674 10.0702 14.2542 14.2646 14.4606 14.4610 14.5372 14.5402 17.0048 17.0220 k = 0.5000 0.3361-0.3397 ( 2750 PWs) bands (ev): -45.9695 -45.9695 -22.7215 -22.7201 -22.0758 -22.0747 -22.0670 -22.0649 -14.1961 -14.1961 -5.9265 -5.9226 -5.6938 -5.6878 -5.6707 -5.6666 -1.2757 -1.2272 0.4079 0.4229 0.5895 0.6360 6.2068 6.2093 6.8104 6.8199 7.0103 7.0173 7.3086 7.3394 7.8283 7.8809 8.0641 8.0719 9.8087 9.8098 9.9557 9.9678 10.0905 10.0936 14.2943 14.3039 14.4851 14.4854 14.5568 14.5597 17.0290 17.0490 k = 0.5000 0.3450-0.3486 ( 2750 PWs) bands (ev): -45.9695 -45.9695 -22.7221 -22.7208 -22.0761 -22.0751 -22.0681 -22.0661 -14.1929 -14.1929 -5.8979 -5.8943 -5.6899 -5.6841 -5.6662 -5.6622 -1.2986 -1.2513 0.3833 0.3978 0.5500 0.5955 6.1916 6.1938 6.7872 6.7951 6.9766 6.9811 7.3413 7.3744 7.8310 7.8842 8.0640 8.0715 9.8492 9.8498 9.9809 9.9924 10.1121 10.1156 14.3323 14.3410 14.5096 14.5099 14.5762 14.5789 17.0440 17.0672 k = 0.5000 0.3539-0.3575 ( 2748 PWs) bands (ev): -45.9694 -45.9694 -22.7227 -22.7214 -22.0764 -22.0754 -22.0692 -22.0672 -14.1898 -14.1898 -5.8702 -5.8669 -5.6858 -5.6802 -5.6618 -5.6579 -1.3210 -1.2750 0.3598 0.3736 0.5113 0.5557 6.1754 6.1774 6.7655 6.7721 6.9428 6.9458 7.3741 7.4099 7.8361 7.8896 8.0649 8.0723 9.8892 9.8896 10.0060 10.0168 10.1323 10.1360 14.3679 14.3759 14.5338 14.5342 14.5951 14.5977 17.0505 17.0767 k = 0.5000 0.3628-0.3664 ( 2746 PWs) bands (ev): -45.9694 -45.9694 -22.7232 -22.7220 -22.0767 -22.0757 -22.0702 -22.0683 -14.1868 -14.1868 -5.8435 -5.8404 -5.6814 -5.6761 -5.6574 -5.6537 -1.3427 -1.2983 0.3373 0.3504 0.4736 0.5166 6.1583 6.1601 6.7456 6.7510 6.9095 6.9114 7.4061 7.4444 7.8438 7.8974 8.0666 8.0740 9.9284 9.9290 10.0309 10.0411 10.1510 10.1550 14.4013 14.4084 14.5577 14.5583 14.6136 14.6161 17.0495 17.0786 k = 0.5000 0.3717-0.3753 ( 2746 PWs) bands (ev): -45.9694 -45.9694 -22.7238 -22.7226 -22.0770 -22.0761 -22.0711 -22.0693 -14.1840 -14.1840 -5.8178 -5.8151 -5.6769 -5.6718 -5.6530 -5.6496 -1.3638 -1.3210 0.3160 0.3283 0.4372 0.4787 6.1407 6.1422 6.7275 6.7321 6.8770 6.8784 7.4368 7.4770 7.8543 7.9075 8.0689 8.0764 9.9667 9.9675 10.0555 10.0651 10.1682 10.1726 14.4323 14.4386 14.5811 14.5819 14.6315 14.6338 17.0426 17.0742 k = 0.5000 0.3805-0.3842 ( 2750 PWs) bands (ev): -45.9693 -45.9693 -22.7243 -22.7232 -22.0772 -22.0764 -22.0720 -22.0703 -14.1814 -14.1814 -5.7933 -5.7910 -5.6724 -5.6675 -5.6488 -5.6457 -1.3839 -1.3431 0.2958 0.3074 0.4024 0.4420 6.1227 6.1240 6.7113 6.7152 6.8457 6.8469 7.4655 7.5068 7.8677 7.9198 8.0717 8.0793 10.0037 10.0049 10.0797 10.0888 10.1841 10.1888 14.4610 14.4665 14.6039 14.6048 14.6487 14.6509 17.0313 17.0649 k = 0.5000 0.3894-0.3931 ( 2750 PWs) bands (ev): -45.9693 -45.9693 -22.7248 -22.7237 -22.0775 -22.0767 -22.0728 -22.0712 -14.1789 -14.1789 -5.7701 -5.7683 -5.6677 -5.6631 -5.6448 -5.6419 -1.4031 -1.3644 0.2769 0.2878 0.3694 0.4070 6.1046 6.1056 6.6969 6.7003 6.8159 6.8171 7.4918 7.5332 7.8840 7.9340 8.0748 8.0826 10.0392 10.0408 10.1034 10.1121 10.1987 10.2038 14.4874 14.4921 14.6259 14.6269 14.6652 14.6672 17.0172 17.0524 k = 0.5000 0.3983-0.4021 ( 2752 PWs) bands (ev): -45.9693 -45.9693 -22.7252 -22.7242 -22.0777 -22.0770 -22.0736 -22.0721 -14.1766 -14.1765 -5.7483 -5.7471 -5.6632 -5.6586 -5.6408 -5.6382 -1.4212 -1.3848 0.2593 0.2694 0.3383 0.3737 6.0865 6.0874 6.6843 6.6872 6.7878 6.7891 7.5155 7.5559 7.9029 7.9498 8.0780 8.0861 10.0730 10.0750 10.1265 10.1348 10.2119 10.2174 14.5115 14.5155 14.6469 14.6480 14.6808 14.6827 17.0019 17.0381 k = 0.5000 0.4072-0.4110 ( 2754 PWs) bands (ev): -45.9692 -45.9692 -22.7256 -22.7247 -22.0780 -22.0774 -22.0743 -22.0729 -14.1744 -14.1744 -5.7280 -5.7274 -5.6587 -5.6542 -5.6370 -5.6348 -1.4381 -1.4041 0.2431 0.2523 0.3094 0.3424 6.0690 6.0696 6.6734 6.6759 6.7616 6.7630 7.5366 7.5750 7.9238 7.9667 8.0814 8.0898 10.1048 10.1072 10.1488 10.1567 10.2239 10.2299 14.5334 14.5368 14.6667 14.6679 14.6955 14.6972 16.9865 17.0231 k = 0.5000 0.4161-0.4199 ( 2756 PWs) bands (ev): -45.9692 -45.9692 -22.7260 -22.7252 -22.0782 -22.0777 -22.0748 -22.0736 -14.1725 -14.1724 -5.7099 -5.7092 -5.6544 -5.6497 -5.6334 -5.6315 -1.4536 -1.4223 0.2283 0.2366 0.2828 0.3132 6.0521 6.0526 6.6639 6.6661 6.7376 6.7389 7.5550 7.5906 7.9460 7.9842 8.0847 8.0934 10.1343 10.1372 10.1701 10.1777 10.2346 10.2412 14.5531 14.5559 14.6852 14.6864 14.7092 14.7108 16.9719 17.0085 k = 0.5000 0.4249-0.4288 ( 2752 PWs) bands (ev): -45.9692 -45.9692 -22.7263 -22.7255 -22.0784 -22.0780 -22.0753 -22.0742 -14.1707 -14.1707 -5.6941 -5.6924 -5.6503 -5.6451 -5.6300 -5.6284 -1.4677 -1.4393 0.2149 0.2223 0.2587 0.2864 6.0361 6.0365 6.6558 6.6577 6.7157 6.7170 7.5710 7.6032 7.9687 8.0016 8.0879 8.0971 10.1613 10.1646 10.1902 10.1976 10.2442 10.2513 14.5707 14.5729 14.7022 14.7033 14.7219 14.7233 16.9591 16.9949 k = 0.5000 0.4338-0.4377 ( 2748 PWs) bands (ev): -45.9691 -45.9691 -22.7265 -22.7259 -22.0786 -22.0783 -22.0757 -22.0748 -14.1691 -14.1691 -5.6805 -5.6776 -5.6463 -5.6403 -5.6267 -5.6255 -1.4802 -1.4548 0.2031 0.2095 0.2372 0.2620 6.0214 6.0217 6.6490 6.6506 6.6961 6.6974 7.5847 7.6132 7.9910 8.0183 8.0909 8.1005 10.1855 10.1893 10.2090 10.2162 10.2527 10.2605 14.5862 14.5880 14.7175 14.7185 14.7334 14.7346 16.9486 16.9829 k = 0.5000 0.4427-0.4466 ( 2752 PWs) bands (ev): -45.9691 -45.9691 -22.7268 -22.7262 -22.0788 -22.0786 -22.0761 -22.0753 -14.1677 -14.1677 -5.6695 -5.6652 -5.6423 -5.6351 -5.6238 -5.6227 -1.4911 -1.4689 0.1927 0.1982 0.2185 0.2402 6.0081 6.0083 6.6433 6.6447 6.6789 6.6801 7.5963 7.6209 8.0123 8.0339 8.0937 8.1037 10.2066 10.2108 10.2263 10.2332 10.2601 10.2686 14.5996 14.6010 14.7310 14.7319 14.7438 14.7447 16.9409 16.9727 k = 0.5000 0.4516-0.4555 ( 2762 PWs) bands (ev): -45.9691 -45.9691 -22.7270 -22.7266 -22.0790 -22.0789 -22.0764 -22.0757 -14.1665 -14.1665 -5.6609 -5.6557 -5.6377 -5.6298 -5.6212 -5.6201 -1.5003 -1.4814 0.1840 0.1884 0.2026 0.2211 5.9964 5.9965 6.6387 6.6398 6.6642 6.6652 7.6061 7.6267 8.0317 8.0477 8.0961 8.1066 10.2244 10.2291 10.2419 10.2482 10.2666 10.2759 14.6110 14.6121 14.7426 14.7432 14.7529 14.7536 16.9361 16.9642 k = 0.5000 0.4605-0.4644 ( 2770 PWs) bands (ev): -45.9691 -45.9691 -22.7272 -22.7268 -22.0792 -22.0791 -22.0766 -22.0761 -14.1655 -14.1655 -5.6545 -5.6495 -5.6324 -5.6247 -5.6188 -5.6176 -1.5077 -1.4922 0.1768 0.1801 0.1897 0.2049 5.9865 5.9866 6.6350 6.6359 6.6519 6.6528 7.6143 7.6309 8.0488 8.0595 8.0984 8.1090 10.2388 10.2439 10.2555 10.2608 10.2727 10.2821 14.6204 14.6213 14.7521 14.7526 14.7607 14.7612 16.9343 16.9568 k = 0.5000 0.4693-0.4733 ( 2784 PWs) bands (ev): -45.9691 -45.9691 -22.7274 -22.7271 -22.0794 -22.0794 -22.0768 -22.0764 -14.1647 -14.1647 -5.6500 -5.6459 -5.6271 -5.6207 -5.6163 -5.6152 -1.5132 -1.5012 0.1712 0.1735 0.1797 0.1915 5.9785 5.9785 6.6321 6.6328 6.6422 6.6428 7.6210 7.6336 8.0629 8.0690 8.1005 8.1106 10.2500 10.2551 10.2665 10.2701 10.2791 10.2875 14.6279 14.6285 14.7596 14.7598 14.7672 14.7675 16.9350 16.9502 k = 0.5000 0.4782-0.4822 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7274 -22.0796 -22.0796 -22.0769 -22.0767 -14.1641 -14.1641 -5.6468 -5.6440 -5.6228 -5.6186 -5.6136 -5.6130 -1.5168 -1.5084 0.1673 0.1684 0.1727 0.1811 5.9725 5.9725 6.6301 6.6306 6.6350 6.6355 7.6263 7.6350 8.0736 8.0761 8.1026 8.1114 10.2581 10.2626 10.2746 10.2761 10.2857 10.2916 14.6334 14.6338 14.7650 14.7651 14.7721 14.7722 16.9372 16.9443 k = 0.5000 0.4871-0.4911 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7275 -22.0797 -22.0797 -22.0770 -22.0768 -14.1638 -14.1638 -5.6447 -5.6432 -5.6199 -5.6177 -5.6113 -5.6112 -1.5185 -1.5138 0.1649 0.1652 0.1688 0.1737 5.9686 5.9686 6.6288 6.6290 6.6306 6.6308 7.6303 7.6352 8.0804 8.0809 8.1052 8.1110 10.2636 10.2665 10.2796 10.2799 10.2910 10.2942 14.6369 14.6372 14.7684 14.7684 14.7754 14.7754 16.9386 16.9401 k = 0.5000 0.4960-0.5000 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6435 -5.6432 -5.6183 -5.6178 -5.6103 -5.6103 -1.5183 -1.5172 0.1638 0.1638 0.1681 0.1693 5.9669 5.9669 6.6280 6.6280 6.6289 6.6289 7.6331 7.6343 8.0831 8.0831 8.1079 8.1093 10.2667 10.2674 10.2818 10.2818 10.2941 10.2949 14.6386 14.6386 14.7699 14.7699 14.7769 14.7769 16.9382 16.9382 k = 0.5027 0.4987 0.4946 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6435 -5.6432 -5.6183 -5.6178 -5.6103 -5.6103 -1.5183 -1.5172 0.1638 0.1638 0.1681 0.1693 5.9669 5.9669 6.6279 6.6280 6.6289 6.6289 7.6331 7.6343 8.0831 8.0831 8.1079 8.1093 10.2667 10.2674 10.2818 10.2818 10.2941 10.2949 14.6386 14.6386 14.7699 14.7699 14.7769 14.7769 16.9382 16.9382 k = 0.5000 0.4987 0.4973 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6433 -5.6433 -5.6180 -5.6180 -5.6102 -5.6102 -1.5178 -1.5178 0.1637 0.1637 0.1686 0.1686 5.9668 5.9668 6.6279 6.6279 6.6288 6.6288 7.6338 7.6338 8.0832 8.0832 8.1087 8.1087 10.2672 10.2672 10.2819 10.2819 10.2946 10.2946 14.6387 14.6387 14.7700 14.7700 14.7769 14.7769 16.9381 16.9381 k = 0.5000 0.4987 0.4973 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6433 -5.6433 -5.6180 -5.6180 -5.6102 -5.6102 -1.5178 -1.5178 0.1637 0.1637 0.1686 0.1686 5.9668 5.9668 6.6279 6.6279 6.6288 6.6288 7.6338 7.6338 8.0832 8.0832 8.1087 8.1087 10.2672 10.2672 10.2819 10.2819 10.2946 10.2946 14.6387 14.6387 14.7700 14.7700 14.7769 14.7769 16.9381 16.9383 k = 0.4926 0.4913 0.4900 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0797 -22.0797 -22.0769 -22.0769 -14.1637 -14.1637 -5.6440 -5.6440 -5.6187 -5.6187 -5.6104 -5.6104 -1.5168 -1.5168 0.1645 0.1645 0.1702 0.1702 5.9681 5.9681 6.6286 6.6286 6.6296 6.6296 7.6333 7.6333 8.0830 8.0831 8.1068 8.1068 10.2656 10.2656 10.2803 10.2803 10.2939 10.2939 14.6378 14.6378 14.7689 14.7690 14.7759 14.7759 16.9402 16.9408 k = 0.4853 0.4840 0.4827 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7275 -22.7275 -22.0797 -22.0797 -22.0768 -22.0768 -14.1640 -14.1640 -5.6460 -5.6460 -5.6206 -5.6206 -5.6110 -5.6110 -1.5138 -1.5138 0.1669 0.1669 0.1751 0.1751 5.9721 5.9721 6.6309 6.6309 6.6318 6.6319 7.6317 7.6317 8.0822 8.0824 8.1014 8.1014 10.2610 10.2610 10.2754 10.2755 10.2916 10.2916 14.6353 14.6353 14.7659 14.7661 14.7730 14.7730 16.9468 16.9482 k = 0.4779 0.4767 0.4754 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7274 -22.7274 -22.0795 -22.0795 -22.0767 -22.0767 -14.1646 -14.1646 -5.6498 -5.6498 -5.6234 -5.6234 -5.6120 -5.6120 -1.5089 -1.5089 0.1708 0.1708 0.1832 0.1832 5.9787 5.9787 6.6346 6.6346 6.6356 6.6358 7.6292 7.6292 8.0810 8.0813 8.0926 8.0926 10.2533 10.2533 10.2673 10.2675 10.2880 10.2880 14.6311 14.6311 14.7609 14.7612 14.7680 14.7680 16.9580 16.9597 k = 0.4706 0.4693 0.4681 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7272 -22.7272 -22.0794 -22.0794 -22.0765 -22.0765 -14.1653 -14.1653 -5.6555 -5.6555 -5.6268 -5.6268 -5.6135 -5.6135 -1.5020 -1.5020 0.1763 0.1763 0.1945 0.1945 5.9879 5.9879 6.6398 6.6398 6.6408 6.6411 7.6255 7.6255 8.0794 8.0797 8.0805 8.0805 10.2425 10.2425 10.2561 10.2564 10.2832 10.2832 14.6253 14.6253 14.7539 14.7544 14.7611 14.7611 16.9736 16.9758 k = 0.4632 0.4620 0.4608 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7270 -22.7270 -22.0791 -22.0791 -22.0763 -22.0763 -14.1663 -14.1663 -5.6635 -5.6635 -5.6304 -5.6304 -5.6153 -5.6153 -1.4934 -1.4934 0.1834 0.1834 0.2089 0.2089 5.9997 5.9997 6.6465 6.6465 6.6476 6.6479 7.6207 7.6207 8.0654 8.0654 8.0772 8.0777 10.2287 10.2287 10.2420 10.2424 10.2771 10.2771 14.6179 14.6179 14.7449 14.7456 14.7523 14.7523 16.9930 16.9957 k = 0.4559 0.4547 0.4534 ( 2764 PWs) bands (ev): -45.9691 -45.9691 -22.7266 -22.7266 -22.0788 -22.0788 -22.0758 -22.0758 -14.1675 -14.1675 -5.6738 -5.6738 -5.6340 -5.6340 -5.6174 -5.6174 -1.4829 -1.4829 0.1919 0.1920 0.2264 0.2264 6.0140 6.0140 6.6547 6.6547 6.6558 6.6562 7.6146 7.6146 8.0478 8.0478 8.0747 8.0752 10.2120 10.2120 10.2252 10.2257 10.2699 10.2699 14.6088 14.6088 14.7341 14.7348 14.7415 14.7415 17.0160 17.0194 k = 0.4485 0.4473 0.4461 ( 2749 PWs) bands (ev): -45.9691 -45.9691 -22.7263 -22.7263 -22.0783 -22.0783 -22.0755 -22.0755 -14.1689 -14.1689 -5.6863 -5.6863 -5.6377 -5.6377 -5.6200 -5.6200 -1.4707 -1.4707 0.2020 0.2020 0.2468 0.2468 6.0307 6.0307 6.6643 6.6643 6.6655 6.6660 7.6070 7.6070 8.0281 8.0281 8.0717 8.0723 10.1926 10.1926 10.2058 10.2063 10.2615 10.2615 14.5981 14.5981 14.7213 14.7222 14.7288 14.7288 17.0421 17.0460 k = 0.4412 0.4400 0.4388 ( 2743 PWs) bands (ev): -45.9692 -45.9692 -22.7259 -22.7259 -22.0779 -22.0779 -22.0751 -22.0751 -14.1705 -14.1705 -5.7010 -5.7010 -5.6415 -5.6415 -5.6229 -5.6229 -1.4570 -1.4570 0.2134 0.2135 0.2701 0.2701 6.0499 6.0499 6.6753 6.6753 6.6767 6.6772 7.5979 7.5979 8.0067 8.0067 8.0683 8.0690 10.1707 10.1707 10.1841 10.1846 10.2519 10.2519 14.5859 14.5859 14.7066 14.7076 14.7142 14.7142 17.0707 17.0753 k = 0.4338 0.4327 0.4315 ( 2743 PWs) bands (ev): -45.9692 -45.9692 -22.7256 -22.7256 -22.0775 -22.0775 -22.0747 -22.0747 -14.1723 -14.1723 -5.7175 -5.7175 -5.6455 -5.6455 -5.6262 -5.6262 -1.4418 -1.4418 0.2263 0.2263 0.2962 0.2962 6.0713 6.0713 6.6877 6.6877 6.6892 6.6899 7.5870 7.5870 7.9844 7.9844 8.0646 8.0654 10.1466 10.1466 10.1602 10.1608 10.2413 10.2413 14.5722 14.5722 14.6900 14.6912 14.6978 14.6978 17.1011 17.1062 k = 0.4265 0.4253 0.4242 ( 2743 PWs) bands (ev): -45.9692 -45.9692 -22.7251 -22.7251 -22.0770 -22.0770 -22.0742 -22.0742 -14.1743 -14.1743 -5.7357 -5.7357 -5.6496 -5.6496 -5.6298 -5.6298 -1.4253 -1.4253 0.2404 0.2405 0.3248 0.3248 6.0950 6.0950 6.7015 6.7015 6.7032 6.7039 7.5741 7.5741 7.9617 7.9617 8.0604 8.0613 10.1205 10.1205 10.1345 10.1351 10.2295 10.2295 14.5570 14.5570 14.6716 14.6729 14.6795 14.6795 17.1340 17.1553 k = 0.4191 0.4180 0.4169 ( 2749 PWs) bands (ev): -45.9693 -45.9693 -22.7247 -22.7247 -22.0765 -22.0765 -22.0738 -22.0738 -14.1765 -14.1765 -5.7555 -5.7555 -5.6540 -5.6540 -5.6337 -5.6337 -1.4075 -1.4075 0.2559 0.2559 0.3559 0.3559 6.1207 6.1207 6.7166 6.7166 6.7185 6.7193 7.5592 7.5592 7.9393 7.9393 8.0559 8.0570 10.0926 10.0926 10.1072 10.1079 10.2167 10.2167 14.5403 14.5403 14.6514 14.6528 14.6594 14.6594 17.1639 17.1700 k = 0.4118 0.4107 0.4096 ( 2749 PWs) bands (ev): -45.9693 -45.9693 -22.7242 -22.7242 -22.0760 -22.0760 -22.0732 -22.0732 -14.1789 -14.1789 -5.7766 -5.7766 -5.6587 -5.6587 -5.6379 -5.6379 -1.3886 -1.3886 0.2725 0.2725 0.3893 0.3893 6.1483 6.1483 6.7331 6.7331 6.7352 6.7361 7.5422 7.5422 7.9178 7.9178 8.0512 8.0523 10.0633 10.0634 10.0787 10.0794 10.2028 10.2028 14.5222 14.5222 14.6294 14.6310 14.6376 14.6376 17.1943 17.2009 k = 0.4044 0.4033 0.4022 ( 2749 PWs) bands (ev): -45.9693 -45.9693 -22.7237 -22.7237 -22.0754 -22.0754 -22.0726 -22.0726 -14.1816 -14.1816 -5.7989 -5.7989 -5.6635 -5.6635 -5.6424 -5.6424 -1.3688 -1.3688 0.2903 0.2903 0.4248 0.4248 6.1776 6.1776 6.7508 6.7508 6.7532 6.7542 7.5231 7.5231 7.8977 7.8977 8.0461 8.0474 10.0329 10.0329 10.0491 10.0498 10.1879 10.1879 14.5027 14.5027 14.6058 14.6074 14.6140 14.6140 17.2224 17.2294 k = 0.3971 0.3960 0.3949 ( 2749 PWs) bands (ev): -45.9694 -45.9694 -22.7231 -22.7231 -22.0747 -22.0747 -22.0721 -22.0721 -14.1844 -14.1844 -5.8223 -5.8223 -5.6686 -5.6686 -5.6472 -5.6472 -1.3481 -1.3481 0.3091 0.3092 0.4622 0.4622 6.2085 6.2085 6.7698 6.7698 6.7725 6.7736 7.5022 7.5022 7.8794 7.8794 8.0409 8.0423 10.0015 10.0015 10.0188 10.0195 10.1720 10.1720 14.4818 14.4818 14.5804 14.5822 14.5888 14.5888 17.2472 17.2546 k = 0.3897 0.3887 0.3876 ( 2746 PWs) bands (ev): -45.9694 -45.9694 -22.7225 -22.7225 -22.0740 -22.0740 -22.0714 -22.0714 -14.1874 -14.1874 -5.8466 -5.8466 -5.6738 -5.6738 -5.6522 -5.6522 -1.3268 -1.3268 0.3289 0.3290 0.5012 0.5012 6.2408 6.2408 6.7900 6.7900 6.7930 6.7942 7.4799 7.4799 7.8631 7.8631 8.0355 8.0371 9.9695 9.9695 9.9881 9.9888 10.1552 10.1552 14.4595 14.4595 14.5534 14.5553 14.5620 14.5620 17.2672 17.2747 k = 0.3824 0.3813 0.3803 ( 2746 PWs) bands (ev): -45.9695 -45.9695 -22.7219 -22.7219 -22.0733 -22.0733 -22.0707 -22.0707 -14.1906 -14.1906 -5.8717 -5.8717 -5.6793 -5.6793 -5.6574 -5.6574 -1.3049 -1.3049 0.3496 0.3497 0.5417 0.5417 6.2740 6.2740 6.8114 6.8114 6.8148 6.8161 7.4568 7.4568 7.8491 7.8491 8.0300 8.0318 9.9371 9.9371 9.9572 9.9579 10.1375 10.1375 14.4359 14.4359 14.5248 14.5268 14.5336 14.5336 17.2812 17.2887 k = 0.3750 0.3740 0.3730 ( 2740 PWs) bands (ev): -45.9695 -45.9695 -22.7212 -22.7212 -22.0725 -22.0725 -22.0699 -22.0699 -14.1940 -14.1940 -5.8973 -5.8973 -5.6849 -5.6849 -5.6627 -5.6627 -1.2825 -1.2825 0.3711 0.3712 0.5834 0.5834 6.3079 6.3079 6.8339 6.8339 6.8376 6.8391 7.4336 7.4336 7.8372 7.8372 8.0245 8.0264 9.9046 9.9046 9.9263 9.9271 10.1190 10.1190 14.4110 14.4110 14.4946 14.4968 14.5037 14.5037 17.2884 17.2957 k = 0.3676 0.3667 0.3657 ( 2740 PWs) bands (ev): -45.9695 -45.9695 -22.7205 -22.7205 -22.0717 -22.0717 -22.0691 -22.0691 -14.1976 -14.1976 -5.9235 -5.9235 -5.6906 -5.6906 -5.6683 -5.6683 -1.2599 -1.2599 0.3934 0.3934 0.6259 0.6259 6.3422 6.3422 6.8575 6.8575 6.8616 6.8632 7.4114 7.4114 7.8275 7.8275 8.0191 8.0212 9.8721 9.8721 9.8959 9.8966 10.0997 10.0997 14.3847 14.3847 14.4631 14.4654 14.4724 14.4724 17.2881 17.2954 k = 0.3603 0.3593 0.3584 ( 2749 PWs) bands (ev): -45.9696 -45.9696 -22.7198 -22.7198 -22.0709 -22.0709 -22.0683 -22.0683 -14.2013 -14.2013 -5.9500 -5.9500 -5.6965 -5.6965 -5.6740 -5.6740 -1.2371 -1.2371 0.4162 0.4163 0.6691 0.6691 6.3763 6.3763 6.8821 6.8821 6.8867 6.8884 7.3909 7.3909 7.8198 7.8198 8.0138 8.0161 9.8401 9.8401 9.8659 9.8666 10.0796 10.0796 14.3572 14.3572 14.4301 14.4325 14.4397 14.4397 17.2799 17.2865 k = 0.3529 0.3520 0.3511 ( 2746 PWs) bands (ev): -45.9697 -45.9697 -22.7191 -22.7191 -22.0700 -22.0700 -22.0675 -22.0675 -14.2053 -14.2053 -5.9767 -5.9767 -5.7024 -5.7024 -5.6798 -5.6798 -1.2142 -1.2142 0.4395 0.4396 0.7126 0.7126 6.4098 6.4098 6.9077 6.9077 6.9127 6.9146 7.3734 7.3734 7.8140 7.8140 8.0087 8.0112 9.8086 9.8086 9.8368 9.8374 10.0588 10.0588 14.3284 14.3284 14.3957 14.3982 14.4056 14.4056 17.2650 17.2732 k = 0.3456 0.3447 0.3437 ( 2734 PWs) bands (ev): -45.9697 -45.9697 -22.7182 -22.7182 -22.0690 -22.0690 -22.0666 -22.0666 -14.2094 -14.2094 -6.0035 -6.0035 -5.7084 -5.7084 -5.6858 -5.6857 -1.1914 -1.1914 0.4633 0.4634 0.7562 0.7562 6.4422 6.4422 6.9342 6.9342 6.9398 6.9418 7.3599 7.3599 7.8100 7.8100 8.0040 8.0067 9.7778 9.7778 9.8086 9.8092 10.0375 10.0375 14.2983 14.2983 14.3601 14.3627 14.3703 14.3703 17.2408 17.2461 k = 0.3382 0.3373 0.3364 ( 2743 PWs) bands (ev): -45.9698 -45.9698 -22.7174 -22.7174 -22.0681 -22.0681 -22.0658 -22.0658 -14.2137 -14.2137 -6.0302 -6.0302 -5.7145 -5.7145 -5.6918 -5.6918 -1.1688 -1.1688 0.4874 0.4875 0.7995 0.7995 6.4730 6.4730 6.9615 6.9615 6.9677 6.9699 7.3513 7.3513 7.8077 7.8077 7.9997 8.0027 9.7481 9.7481 9.7816 9.7821 10.0155 10.0155 14.2670 14.2670 14.3232 14.3260 14.3339 14.3339 17.2108 17.2154 k = 0.3309 0.3300 0.3291 ( 2743 PWs) bands (ev): -45.9698 -45.9698 -22.7166 -22.7166 -22.0671 -22.0671 -22.0648 -22.0648 -14.2181 -14.2181 -6.0569 -6.0569 -5.7206 -5.7206 -5.6978 -5.6978 -1.1465 -1.1465 0.5117 0.5118 0.8423 0.8423 6.5017 6.5017 6.9897 6.9897 6.9965 6.9988 7.3487 7.3487 7.8070 7.8070 7.9960 7.9992 9.7194 9.7194 9.7559 9.7564 9.9930 9.9930 14.2345 14.2345 14.2852 14.2881 14.2963 14.2963 17.1747 17.1787 k = 0.3235 0.3227 0.3218 ( 2737 PWs) bands (ev): -45.9699 -45.9699 -22.7157 -22.7157 -22.0661 -22.0661 -22.0638 -22.0638 -14.2227 -14.2227 -6.0832 -6.0832 -5.7267 -5.7267 -5.7039 -5.7039 -1.1246 -1.1246 0.5361 0.5362 0.8841 0.8841 6.5280 6.5280 7.0186 7.0186 7.0260 7.0286 7.3527 7.3527 7.8080 7.8080 7.9930 7.9964 9.6921 9.6921 9.7316 9.7321 9.9700 9.9700 14.2008 14.2008 14.2462 14.2492 14.2577 14.2577 17.1333 17.1368 k = 0.3162 0.3153 0.3145 ( 2743 PWs) bands (ev): -45.9700 -45.9700 -22.7149 -22.7149 -22.0651 -22.0651 -22.0629 -22.0629 -14.2274 -14.2274 -6.1093 -6.1093 -5.7327 -5.7327 -5.7100 -5.7100 -1.1032 -1.1032 0.5605 0.5606 0.9248 0.9248 6.5517 6.5517 7.0483 7.0483 7.0564 7.0591 7.3640 7.3640 7.8105 7.8105 7.9908 7.9945 9.6662 9.6662 9.7090 9.7094 9.9465 9.9465 14.1659 14.1659 14.2061 14.2092 14.2181 14.2181 17.0874 17.0895 k = 0.3088 0.3080 0.3072 ( 2743 PWs) bands (ev): -45.9700 -45.9700 -22.7140 -22.7140 -22.0641 -22.0641 -22.0619 -22.0619 -14.2324 -14.2324 -6.1348 -6.1348 -5.7387 -5.7387 -5.7162 -5.7161 -1.0824 -1.0824 0.5847 0.5848 0.9641 0.9641 6.5729 6.5729 7.0786 7.0786 7.0874 7.0903 7.3826 7.3826 7.8147 7.8147 7.9896 7.9935 9.6419 9.6419 9.6880 9.6884 9.9228 9.9228 14.1299 14.1299 14.1652 14.1684 14.1777 14.1777 17.0370 17.0378 k = 0.3015 0.3007 0.2999 ( 2737 PWs) bands (ev): -45.9701 -45.9701 -22.7130 -22.7130 -22.0630 -22.0630 -22.0608 -22.0608 -14.2374 -14.2374 -6.1599 -6.1599 -5.7447 -5.7447 -5.7222 -5.7222 -1.0623 -1.0623 0.6088 0.6089 1.0015 1.0015 6.5921 6.5921 7.1095 7.1095 7.1190 7.1222 7.4087 7.4087 7.8204 7.8204 7.9894 7.9937 9.6193 9.6193 9.6689 9.6692 9.8987 9.8987 14.0927 14.0927 14.1234 14.1267 14.1365 14.1365 16.9827 16.9828 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9701 -45.9701 -22.7121 -22.7121 -22.0619 -22.0619 -22.0598 -22.0598 -14.2426 -14.2426 -6.1843 -6.1843 -5.7506 -5.7506 -5.7283 -5.7283 -1.0430 -1.0430 0.6325 0.6326 1.0369 1.0369 6.6098 6.6098 7.1409 7.1410 7.1512 7.1547 7.4418 7.4418 7.8277 7.8277 7.9904 7.9950 9.5985 9.5985 9.6516 9.6519 9.8743 9.8743 14.0545 14.0545 14.0808 14.0842 14.0945 14.0945 16.9248 16.9248 k = 0.2868 0.2860 0.2852 ( 2743 PWs) bands (ev): -45.9702 -45.9702 -22.7112 -22.7112 -22.0609 -22.0609 -22.0588 -22.0588 -14.2479 -14.2479 -6.2081 -6.2081 -5.7563 -5.7563 -5.7343 -5.7343 -1.0245 -1.0245 0.6559 0.6560 1.0701 1.0701 6.6268 6.6268 7.1729 7.1729 7.1840 7.1877 7.4813 7.4814 7.8367 7.8367 7.9927 7.9976 9.5795 9.5795 9.6362 9.6364 9.8498 9.8498 14.0153 14.0153 14.0375 14.0410 14.0520 14.0520 16.8644 16.8644 k = 0.2794 0.2787 0.2779 ( 2743 PWs) bands (ev): -45.9703 -45.9703 -22.7102 -22.7102 -22.0598 -22.0598 -22.0577 -22.0577 -14.2533 -14.2533 -6.2312 -6.2312 -5.7620 -5.7620 -5.7402 -5.7402 -1.0069 -1.0069 0.6787 0.6788 1.1007 1.1007 6.6439 6.6439 7.2053 7.2053 7.2172 7.2212 7.5267 7.5268 7.8473 7.8473 7.9964 8.0016 9.5626 9.5626 9.6228 9.6230 9.8251 9.8251 13.9750 13.9750 13.9937 13.9972 14.0089 14.0089 16.8017 16.8017 k = 0.2721 0.2713 0.2706 ( 2746 PWs) bands (ev): -45.9704 -45.9704 -22.7093 -22.7093 -22.0587 -22.0587 -22.0566 -22.0566 -14.2589 -14.2589 -6.2534 -6.2534 -5.7675 -5.7675 -5.7460 -5.7460 -0.9904 -0.9904 0.7009 0.7010 1.1286 1.1286 6.6618 6.6618 7.2381 7.2381 7.2509 7.2551 7.5773 7.5773 7.8596 7.8596 8.0017 8.0072 9.5477 9.5477 9.6114 9.6115 9.8004 9.8004 13.9339 13.9339 13.9493 13.9529 13.9654 13.9654 16.7371 16.7371 k = 0.2647 0.2640 0.2633 ( 2752 PWs) bands (ev): -45.9704 -45.9704 -22.7083 -22.7083 -22.0576 -22.0576 -22.0556 -22.0556 -14.2645 -14.2645 -6.2748 -6.2748 -5.7729 -5.7729 -5.7517 -5.7517 -0.9748 -0.9748 0.7224 0.7226 1.1537 1.1537 6.6813 6.6813 7.2712 7.2712 7.2850 7.2895 7.6324 7.6324 7.8736 7.8736 8.0085 8.0144 9.5348 9.5348 9.6020 9.6021 9.7756 9.7756 13.8918 13.8918 13.9044 13.9081 13.9214 13.9214 16.6709 16.6709 k = 0.2574 0.2567 0.2560 ( 2752 PWs) bands (ev): -45.9705 -45.9705 -22.7074 -22.7074 -22.0565 -22.0565 -22.0545 -22.0545 -14.2703 -14.2703 -6.2953 -6.2953 -5.7781 -5.7781 -5.7573 -5.7573 -0.9604 -0.9604 0.7432 0.7433 1.1758 1.1758 6.7030 6.7030 7.3045 7.3045 7.3196 7.3243 7.6913 7.6913 7.8893 7.8893 8.0170 8.0232 9.5241 9.5241 9.5946 9.5946 9.7508 9.7508 13.8490 13.8491 13.8592 13.8630 13.8771 13.8771 16.6033 16.6033 k = 0.2500 0.2493 0.2487 ( 2752 PWs) bands (ev): -45.9706 -45.9706 -22.7064 -22.7064 -22.0553 -22.0553 -22.0534 -22.0534 -14.2761 -14.2761 -6.3148 -6.3148 -5.7831 -5.7831 -5.7627 -5.7627 -0.9472 -0.9472 0.7632 0.7633 1.1948 1.1948 6.7273 6.7273 7.3381 7.3381 7.3544 7.3594 7.7536 7.7536 7.9069 7.9069 8.0273 8.0338 9.5155 9.5155 9.5892 9.5892 9.7261 9.7261 13.8056 13.8056 13.8136 13.8175 13.8326 13.8326 16.5345 16.5345 k = 0.2426 0.2420 0.2413 ( 2746 PWs) bands (ev): -45.9706 -45.9706 -22.7054 -22.7054 -22.0542 -22.0542 -22.0522 -22.0522 -14.2820 -14.2820 -6.3334 -6.3334 -5.7880 -5.7880 -5.7681 -5.7680 -0.9351 -0.9351 0.7822 0.7823 1.2106 1.2106 6.7546 6.7546 7.3719 7.3719 7.3896 7.3949 7.8186 7.8186 7.9263 7.9264 8.0393 8.0462 9.5091 9.5091 9.5858 9.5859 9.7015 9.7015 13.7616 13.7616 13.7679 13.7718 13.7878 13.7878 16.4646 16.4646 k = 0.2353 0.2347 0.2340 ( 2746 PWs) bands (ev): -45.9707 -45.9707 -22.7044 -22.7044 -22.0531 -22.0531 -22.0511 -22.0511 -14.2880 -14.2880 -6.3510 -6.3510 -5.7927 -5.7927 -5.7732 -5.7732 -0.9242 -0.9242 0.8003 0.8004 1.2234 1.2234 6.7852 6.7852 7.4058 7.4058 7.4251 7.4307 7.8855 7.8855 7.9481 7.9482 8.0532 8.0603 9.5049 9.5049 9.5844 9.5845 9.6771 9.6771 13.7171 13.7171 13.7219 13.7260 13.7428 13.7428 16.3940 16.3940 k = 0.2279 0.2273 0.2267 ( 2743 PWs) bands (ev): -45.9708 -45.9708 -22.7034 -22.7034 -22.0519 -22.0519 -22.0499 -22.0499 -14.2940 -14.2940 -6.3676 -6.3676 -5.7971 -5.7971 -5.7782 -5.7782 -0.9145 -0.9145 0.8174 0.8175 1.2330 1.2331 6.8191 6.8191 7.4397 7.4397 7.4609 7.4667 7.9500 7.9500 7.9763 7.9763 8.0688 8.0763 9.5028 9.5028 9.5850 9.5851 9.6530 9.6530 13.6723 13.6723 13.6759 13.6801 13.6978 13.6978 16.3228 16.3228 k = 0.2206 0.2200 0.2194 ( 2749 PWs) bands (ev): -45.9708 -45.9708 -22.7024 -22.7024 -22.0509 -22.0509 -22.0489 -22.0489 -14.3001 -14.3001 -6.3832 -6.3832 -5.8014 -5.8014 -5.7830 -5.7830 -0.9061 -0.9061 0.8334 0.8335 1.2397 1.2397 6.8563 6.8563 7.4736 7.4736 7.4970 7.5030 7.9887 7.9887 8.0337 8.0337 8.0862 8.0940 9.5029 9.5029 9.5875 9.5876 9.6291 9.6291 13.6273 13.6273 13.6299 13.6341 13.6527 13.6527 16.2512 16.2512 k = 0.2132 0.2127 0.2121 ( 2743 PWs) bands (ev): -45.9709 -45.9709 -22.7014 -22.7014 -22.0497 -22.0497 -22.0477 -22.0477 -14.3062 -14.3062 -6.3977 -6.3977 -5.8055 -5.8055 -5.7877 -5.7877 -0.8989 -0.8989 0.8484 0.8485 1.2434 1.2434 6.8968 6.8968 7.5075 7.5075 7.5332 7.5394 8.0165 8.0165 8.1054 8.1055 8.1055 8.1135 9.5050 9.5050 9.5918 9.5920 9.6055 9.6055 13.5822 13.5822 13.5840 13.5882 13.6076 13.6076 16.1792 16.1792 k = 0.2059 0.2053 0.2048 ( 2743 PWs) bands (ev): -45.9710 -45.9710 -22.7004 -22.7004 -22.0486 -22.0486 -22.0466 -22.0466 -14.3123 -14.3123 -6.4113 -6.4113 -5.8094 -5.8094 -5.7922 -5.7921 -0.8929 -0.8929 0.8622 0.8624 1.2443 1.2443 6.9404 6.9404 7.5411 7.5411 7.5696 7.5760 8.0446 8.0446 8.1266 8.1348 8.1798 8.1798 9.5092 9.5092 9.5824 9.5824 9.5979 9.5981 13.5371 13.5371 13.5381 13.5424 13.5626 13.5626 16.1072 16.1072 k = 0.1985 0.1980 0.1975 ( 2749 PWs) bands (ev): -45.9710 -45.9710 -22.6995 -22.6995 -22.0476 -22.0476 -22.0456 -22.0456 -14.3184 -14.3184 -6.4238 -6.4238 -5.8130 -5.8130 -5.7964 -5.7964 -0.8881 -0.8881 0.8750 0.8752 1.2426 1.2426 6.9869 6.9869 7.5745 7.5745 7.6061 7.6127 8.0742 8.0742 8.1494 8.1578 8.2556 8.2556 9.5153 9.5153 9.5597 9.5597 9.6058 9.6060 13.4921 13.4921 13.4925 13.4968 13.5178 13.5178 16.0353 16.0356 k = 0.1912 0.1907 0.1902 ( 2749 PWs) bands (ev): -45.9711 -45.9711 -22.6986 -22.6986 -22.0465 -22.0465 -22.0445 -22.0445 -14.3246 -14.3246 -6.4353 -6.4353 -5.8164 -5.8164 -5.8005 -5.8005 -0.8845 -0.8845 0.8867 0.8868 1.2385 1.2385 7.0361 7.0361 7.6074 7.6074 7.6425 7.6492 8.1053 8.1053 8.1740 8.1825 8.3324 8.3324 9.5228 9.5228 9.5380 9.5381 9.6154 9.6156 13.4471 13.4473 13.4473 13.4515 13.4732 13.4732 15.9637 15.9637 k = 0.1838 0.1833 0.1828 ( 2743 PWs) bands (ev): -45.9712 -45.9712 -22.6976 -22.6976 -22.0454 -22.0454 -22.0434 -22.0434 -14.3306 -14.3306 -6.4459 -6.4458 -5.8197 -5.8197 -5.8044 -5.8044 -0.8820 -0.8820 0.8973 0.8974 1.2322 1.2322 7.0875 7.0875 7.6398 7.6399 7.6788 7.6857 8.1381 8.1381 8.2003 8.2089 8.4100 8.4100 9.5144 9.5144 9.5345 9.5346 9.6265 9.6267 13.4020 13.4029 13.4029 13.4065 13.4290 13.4290 15.8924 15.8924 k = 0.1765 0.1760 0.1755 ( 2737 PWs) bands (ev): -45.9712 -45.9712 -22.6967 -22.6967 -22.0444 -22.0444 -22.0424 -22.0424 -14.3367 -14.3367 -6.4554 -6.4554 -5.8227 -5.8227 -5.8082 -5.8081 -0.8806 -0.8806 0.9068 0.9070 1.2238 1.2238 7.1409 7.1409 7.6716 7.6717 7.7148 7.7217 8.1726 8.1726 8.2284 8.2371 8.4881 8.4881 9.4935 9.4935 9.5458 9.5458 9.6391 9.6393 13.3573 13.3589 13.3589 13.3618 13.3853 13.3853 15.8219 15.8226 k = 0.1691 0.1687 0.1682 ( 2731 PWs) bands (ev): -45.9713 -45.9713 -22.6958 -22.6958 -22.0433 -22.0433 -22.0413 -22.0413 -14.3426 -14.3426 -6.4641 -6.4641 -5.8255 -5.8255 -5.8117 -5.8117 -0.8802 -0.8802 0.9153 0.9155 1.2137 1.2137 7.1958 7.1958 7.7027 7.7027 7.7504 7.7573 8.2087 8.2087 8.2582 8.2669 8.5665 8.5665 9.4729 9.4729 9.5590 9.5590 9.6531 9.6532 13.3131 13.3154 13.3154 13.3176 13.3421 13.3421 15.7519 15.7522 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9714 -45.9714 -22.6949 -22.6949 -22.0424 -22.0424 -22.0403 -22.0403 -14.3485 -14.3485 -6.4719 -6.4719 -5.8281 -5.8281 -5.8150 -5.8150 -0.8808 -0.8808 0.9228 0.9229 1.2020 1.2020 7.2518 7.2518 7.7329 7.7329 7.7854 7.7922 8.2465 8.2465 8.2898 8.2984 8.6449 8.6449 9.4528 9.4528 9.5738 9.5738 9.6682 9.6684 13.2693 13.2726 13.2726 13.2738 13.2996 13.2996 15.6829 15.6829 k = 0.1544 0.1540 0.1536 ( 2737 PWs) bands (ev): -45.9714 -45.9714 -22.6941 -22.6941 -22.0414 -22.0414 -22.0393 -22.0393 -14.3543 -14.3543 -6.4788 -6.4788 -5.8306 -5.8306 -5.8182 -5.8181 -0.8823 -0.8823 0.9293 0.9295 1.1891 1.1891 7.3084 7.3084 7.7621 7.7621 7.8195 7.8262 8.2858 8.2858 8.3231 8.3316 8.7232 8.7232 9.4333 9.4333 9.5899 9.5899 9.6845 9.6846 13.2261 13.2304 13.2304 13.2306 13.2579 13.2579 15.6151 15.6151 k = 0.1471 0.1467 0.1463 ( 2743 PWs) bands (ev): -45.9715 -45.9715 -22.6933 -22.6933 -22.0405 -22.0405 -22.0384 -22.0384 -14.3600 -14.3600 -6.4849 -6.4849 -5.8328 -5.8328 -5.8211 -5.8211 -0.8846 -0.8846 0.9349 0.9351 1.1750 1.1750 7.3653 7.3653 7.7903 7.7904 7.8526 7.8591 8.3266 8.3266 8.3581 8.3663 8.8011 8.8011 9.4145 9.4145 9.6073 9.6073 9.7017 9.7018 13.1836 13.1881 13.1890 13.1890 13.2172 13.2172 15.5485 15.5485 k = 0.1397 0.1393 0.1390 ( 2743 PWs) bands (ev): -45.9715 -45.9715 -22.6925 -22.6925 -22.0396 -22.0396 -22.0375 -22.0375 -14.3655 -14.3655 -6.4902 -6.4902 -5.8348 -5.8348 -5.8239 -5.8239 -0.8876 -0.8876 0.9397 0.9398 1.1602 1.1602 7.4219 7.4219 7.8175 7.8176 7.8845 7.8908 8.3687 8.3687 8.3947 8.4027 8.8784 8.8784 9.3965 9.3965 9.6256 9.6256 9.7198 9.7198 13.1417 13.1462 13.1483 13.1483 13.1776 13.1776 15.4842 15.4857 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9716 -45.9716 -22.6917 -22.6917 -22.0388 -22.0388 -22.0366 -22.0366 -14.3709 -14.3709 -6.4948 -6.4948 -5.8367 -5.8367 -5.8265 -5.8264 -0.8913 -0.8913 0.9437 0.9438 1.1447 1.1447 7.4776 7.4777 7.8437 7.8437 7.9150 7.9210 8.4120 8.4120 8.4328 8.4404 8.9547 8.9547 9.3791 9.3791 9.6448 9.6448 9.7384 9.7384 13.1006 13.1051 13.1084 13.1084 13.1394 13.1394 15.4200 15.4200 k = 0.1250 0.1247 0.1243 ( 2737 PWs) bands (ev): -45.9716 -45.9716 -22.6910 -22.6910 -22.0379 -22.0379 -22.0357 -22.0357 -14.3761 -14.3761 -6.4987 -6.4987 -5.8384 -5.8384 -5.8289 -5.8289 -0.8956 -0.8956 0.9469 0.9470 1.1289 1.1289 7.5322 7.5322 7.8689 7.8690 7.9440 7.9497 8.4562 8.4563 8.4723 8.4795 9.0298 9.0298 9.3625 9.3625 9.6646 9.6646 9.7574 9.7575 13.0605 13.0648 13.0694 13.0694 13.1027 13.1027 15.3583 15.3584 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9717 -45.9717 -22.6902 -22.6902 -22.0371 -22.0371 -22.0349 -22.0349 -14.3812 -14.3812 -6.5020 -6.5020 -5.8399 -5.8399 -5.8311 -5.8311 -0.9003 -0.9003 0.9494 0.9496 1.1128 1.1128 7.5849 7.5849 7.8933 7.8933 7.9713 7.9766 8.5012 8.5012 8.5129 8.5197 9.1034 9.1034 9.3468 9.3468 9.6848 9.6848 9.7767 9.7768 13.0212 13.0255 13.0312 13.0312 13.0677 13.0677 15.2988 15.2990 k = 0.1103 0.1100 0.1097 ( 2752 PWs) bands (ev): -45.9717 -45.9717 -22.6897 -22.6897 -22.0365 -22.0365 -22.0342 -22.0342 -14.3860 -14.3860 -6.5048 -6.5048 -5.8413 -5.8413 -5.8332 -5.8332 -0.9054 -0.9054 0.9514 0.9515 1.0968 1.0968 7.6354 7.6354 7.9169 7.9169 7.9969 8.0018 8.5465 8.5465 8.5543 8.5607 9.1751 9.1751 9.3318 9.3318 9.7053 9.7053 9.7960 9.7962 12.9831 12.9873 12.9939 12.9939 13.0346 13.0346 15.2414 15.2419 k = 0.1029 0.1027 0.1024 ( 2755 PWs) bands (ev): -45.9718 -45.9718 -22.6890 -22.6890 -22.0358 -22.0358 -22.0335 -22.0335 -14.3906 -14.3906 -6.5071 -6.5071 -5.8426 -5.8426 -5.8351 -5.8351 -0.9107 -0.9107 0.9528 0.9529 1.0809 1.0809 7.6830 7.6830 7.9399 7.9399 8.0207 8.0252 8.5919 8.5919 8.5963 8.6022 9.2446 9.2446 9.3177 9.3177 9.7259 9.7259 9.8152 9.8154 12.9461 12.9502 12.9577 12.9577 13.0034 13.0034 15.1865 15.1868 k = 0.0956 0.0953 0.0951 ( 2755 PWs) bands (ev): -45.9718 -45.9718 -22.6884 -22.6884 -22.0351 -22.0351 -22.0328 -22.0328 -14.3950 -14.3950 -6.5088 -6.5088 -5.8437 -5.8437 -5.8368 -5.8368 -0.9163 -0.9162 0.9538 0.9539 1.0655 1.0655 7.7273 7.7273 7.9626 7.9627 8.0426 8.0468 8.6370 8.6370 8.6385 8.6439 9.3041 9.3041 9.3118 9.3118 9.7463 9.7463 9.8341 9.8343 12.9104 12.9144 12.9226 12.9226 12.9743 12.9743 15.1342 15.1354 k = 0.0882 0.0880 0.0878 ( 2761 PWs) bands (ev): -45.9719 -45.9719 -22.6879 -22.6879 -22.0345 -22.0345 -22.0322 -22.0322 -14.3991 -14.3991 -6.5102 -6.5102 -5.8447 -5.8447 -5.8384 -5.8384 -0.9218 -0.9218 0.9544 0.9545 1.0505 1.0505 7.7678 7.7678 7.9852 7.9852 8.0628 8.0665 8.6804 8.6814 8.6814 8.6853 9.2921 9.2921 9.3753 9.3754 9.7664 9.7664 9.8524 9.8527 12.8763 12.8801 12.8889 12.8889 12.9474 12.9474 15.0848 15.0852 k = 0.0809 0.0807 0.0804 ( 2755 PWs) bands (ev): -45.9719 -45.9719 -22.6874 -22.6874 -22.0339 -22.0339 -22.0315 -22.0315 -14.4030 -14.4030 -6.5113 -6.5113 -5.8456 -5.8456 -5.8398 -5.8398 -0.9274 -0.9274 0.9546 0.9547 1.0363 1.0363 7.8040 7.8040 8.0078 8.0078 8.0812 8.0845 8.7216 8.7247 8.7247 8.7261 9.2807 9.2807 9.4357 9.4357 9.7859 9.7859 9.8700 9.8704 12.8437 12.8474 12.8567 12.8567 12.9226 12.9226 15.0381 15.0391 k = 0.0735 0.0733 0.0731 ( 2755 PWs) bands (ev): -45.9719 -45.9719 -22.6869 -22.6869 -22.0334 -22.0334 -22.0309 -22.0309 -14.4066 -14.4066 -6.5120 -6.5120 -5.8463 -5.8463 -5.8411 -5.8411 -0.9328 -0.9328 0.9546 0.9547 1.0228 1.0228 7.8358 7.8358 8.0304 8.0304 8.0978 8.1008 8.7617 8.7656 8.7665 8.7665 9.2702 9.2702 9.4922 9.4922 9.8048 9.8049 9.8867 9.8871 12.8130 12.8165 12.8261 12.8261 12.9001 12.9001 14.9948 14.9957 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9720 -45.9720 -22.6865 -22.6865 -22.0329 -22.0329 -22.0305 -22.0305 -14.4098 -14.4098 -6.5125 -6.5125 -5.8470 -5.8470 -5.8423 -5.8423 -0.9380 -0.9380 0.9544 0.9545 1.0103 1.0103 7.8631 7.8631 8.0529 8.0529 8.1127 8.1153 8.8000 8.8035 8.8062 8.8062 9.2607 9.2607 9.5444 9.5444 9.8229 9.8229 9.9023 9.9027 12.7844 12.7876 12.7976 12.7976 12.8798 12.8798 14.9550 14.9557 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9720 -45.9720 -22.6861 -22.6861 -22.0325 -22.0325 -22.0301 -22.0301 -14.4128 -14.4128 -6.5129 -6.5129 -5.8476 -5.8476 -5.8433 -5.8433 -0.9429 -0.9429 0.9541 0.9541 0.9988 0.9988 7.8860 7.8860 8.0749 8.0749 8.1259 8.1281 8.8361 8.8392 8.8434 8.8434 9.2521 9.2521 9.5918 9.5918 9.8401 9.8401 9.9167 9.9171 12.7579 12.7609 12.7711 12.7711 12.8617 12.8617 14.9188 14.9191 k = 0.0515 0.0513 0.0512 ( 2773 PWs) bands (ev): -45.9720 -45.9720 -22.6858 -22.6858 -22.0321 -22.0321 -22.0297 -22.0297 -14.4155 -14.4155 -6.5130 -6.5130 -5.8481 -5.8481 -5.8442 -5.8442 -0.9475 -0.9475 0.9536 0.9537 0.9885 0.9885 7.9050 7.9050 8.0959 8.0959 8.1374 8.1394 8.8695 8.8722 8.8776 8.8776 9.2446 9.2446 9.6341 9.6341 9.8561 9.8561 9.9297 9.9301 12.7339 12.7366 12.7470 12.7470 12.8459 12.8459 14.8862 14.8868 k = 0.0441 0.0440 0.0439 ( 2773 PWs) bands (ev): -45.9720 -45.9720 -22.6855 -22.6855 -22.0318 -22.0318 -22.0293 -22.0293 -14.4178 -14.4178 -6.5131 -6.5131 -5.8485 -5.8485 -5.8450 -5.8449 -0.9516 -0.9516 0.9531 0.9532 0.9793 0.9793 7.9205 7.9205 8.1153 8.1153 8.1474 8.1490 8.8998 8.9020 8.9085 8.9085 9.2380 9.2380 9.6709 9.6709 9.8709 9.8709 9.9412 9.9415 12.7126 12.7149 12.7256 12.7256 12.8322 12.8322 14.8577 14.8586 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9721 -45.9721 -22.6852 -22.6852 -22.0315 -22.0315 -22.0289 -22.0289 -14.4197 -14.4197 -6.5131 -6.5131 -5.8488 -5.8488 -5.8456 -5.8456 -0.9551 -0.9551 0.9527 0.9527 0.9715 0.9715 7.9329 7.9329 8.1327 8.1327 8.1558 8.1571 8.9263 8.9281 8.9354 8.9354 9.2324 9.2324 9.7020 9.7020 9.8842 9.8842 9.9511 9.9514 12.6941 12.6961 12.7070 12.7070 12.8208 12.8208 14.8333 14.8333 k = 0.0294 0.0293 0.0293 ( 2770 PWs) bands (ev): -45.9721 -45.9721 -22.6850 -22.6850 -22.0313 -22.0313 -22.0287 -22.0287 -14.4214 -14.4214 -6.5130 -6.5130 -5.8491 -5.8491 -5.8461 -5.8461 -0.9581 -0.9581 0.9522 0.9523 0.9649 0.9649 7.9426 7.9426 8.1475 8.1475 8.1626 8.1636 8.9487 8.9501 8.9581 8.9581 9.2278 9.2278 9.7273 9.7273 9.8958 9.8958 9.9593 9.9595 12.6787 12.6804 12.6914 12.6914 12.8115 12.8115 14.8131 14.8133 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9721 -45.9721 -22.6849 -22.6849 -22.0311 -22.0311 -22.0286 -22.0286 -14.4226 -14.4226 -6.5130 -6.5130 -5.8493 -5.8493 -5.8465 -5.8465 -0.9605 -0.9605 0.9518 0.9519 0.9598 0.9598 7.9498 7.9498 8.1593 8.1593 8.1679 8.1687 8.9666 8.9677 8.9762 8.9762 9.2242 9.2242 9.7467 9.7467 9.9054 9.9054 9.9657 9.9659 12.6666 12.6678 12.6791 12.6791 12.8043 12.8043 14.7976 14.7981 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9721 -45.9721 -22.6848 -22.6848 -22.0310 -22.0310 -22.0284 -22.0284 -14.4236 -14.4236 -6.5129 -6.5129 -5.8494 -5.8494 -5.8468 -5.8468 -0.9623 -0.9623 0.9516 0.9516 0.9561 0.9561 7.9549 7.9549 8.1680 8.1680 8.1717 8.1722 8.9797 8.9804 8.9893 8.9893 9.2217 9.2217 9.7604 9.7604 9.9125 9.9125 9.9703 9.9705 12.6579 12.6587 12.6702 12.6702 12.7992 12.7992 14.7859 14.7859 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6847 -22.6847 -22.0309 -22.0309 -22.0283 -22.0283 -14.4241 -14.4241 -6.5128 -6.5128 -5.8495 -5.8495 -5.8469 -5.8469 -0.9633 -0.9633 0.9514 0.9514 0.9539 0.9539 7.9578 7.9578 8.1732 8.1732 8.1740 8.1743 8.9877 8.9880 8.9972 8.9972 9.2201 9.2201 9.7686 9.7686 9.9170 9.9170 9.9731 9.9732 12.6527 12.6531 12.6648 12.6648 12.7962 12.7962 14.7790 14.7791 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6846 -22.6846 -22.0309 -22.0309 -22.0283 -22.0283 -14.4243 -14.4243 -6.5128 -6.5128 -5.8495 -5.8495 -5.8470 -5.8470 -0.9637 -0.9637 0.9513 0.9513 0.9532 0.9532 7.9588 7.9588 8.1749 8.1749 8.1750 8.1750 8.9905 8.9905 8.9999 8.9999 9.2196 9.2196 9.7713 9.7713 9.9185 9.9185 9.9741 9.9741 12.6511 12.6511 12.6630 12.6630 12.7952 12.7952 14.7770 14.7778 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6846 -22.6846 -22.0309 -22.0309 -22.0283 -22.0283 -14.4243 -14.4243 -6.5128 -6.5128 -5.8495 -5.8495 -5.8470 -5.8470 -0.9637 -0.9637 0.9513 0.9513 0.9532 0.9532 7.9588 7.9588 8.1749 8.1749 8.1750 8.1750 8.9905 8.9905 8.9999 8.9999 9.2196 9.2196 9.7713 9.7713 9.9185 9.9185 9.9741 9.9741 12.6511 12.6511 12.6630 12.6630 12.7952 12.7952 14.7770 14.7778 k = 0.0089-0.0000-0.0089 ( 2777 PWs) bands (ev): -45.9721 -45.9721 -22.6847 -22.6846 -22.0309 -22.0309 -22.0284 -22.0283 -14.4241 -14.4241 -6.5130 -6.5127 -5.8497 -5.8493 -5.8470 -5.8469 -0.9634 -0.9632 0.9517 0.9519 0.9530 0.9540 7.9554 7.9600 8.1698 8.1727 8.1751 8.1768 8.9887 8.9888 8.9970 8.9994 9.2171 9.2188 9.7530 9.7841 9.9022 9.9312 9.9748 9.9753 12.6519 12.6524 12.6630 12.6658 12.7952 12.7972 14.7789 14.7799 k = 0.0178-0.0000-0.0179 ( 2769 PWs) bands (ev): -45.9721 -45.9721 -22.6848 -22.6846 -22.0310 -22.0310 -22.0285 -22.0283 -14.4236 -14.4235 -6.5132 -6.5126 -5.8498 -5.8490 -5.8468 -5.8468 -0.9625 -0.9620 0.9524 0.9532 0.9539 0.9560 7.9498 7.9589 8.1611 8.1683 8.1732 8.1756 8.9829 8.9835 8.9911 8.9957 9.2114 9.2148 9.7305 9.7892 9.8857 9.9376 9.9760 9.9800 12.6529 12.6559 12.6678 12.6713 12.7973 12.8013 14.7818 14.7826 k = 0.0267-0.0001-0.0268 ( 2767 PWs) bands (ev): -45.9721 -45.9721 -22.6849 -22.6847 -22.0311 -22.0311 -22.0286 -22.0284 -14.4227 -14.4226 -6.5135 -6.5126 -5.8498 -5.8486 -5.8466 -5.8466 -0.9608 -0.9601 0.9531 0.9538 0.9571 0.9597 7.9418 7.9556 8.1487 8.1614 8.1690 8.1724 8.9722 8.9738 8.9830 8.9893 9.2031 9.2081 9.7043 9.7835 9.8728 9.9379 9.9771 9.9872 12.6535 12.6606 12.6776 12.6810 12.8015 12.8073 14.7872 14.7885 k = 0.0356-0.0001-0.0357 ( 2769 PWs) bands (ev): -45.9721 -45.9721 -22.6851 -22.6848 -22.0313 -22.0313 -22.0288 -22.0285 -14.4214 -14.4214 -6.5139 -6.5127 -5.8498 -5.8481 -5.8463 -5.8462 -0.9585 -0.9575 0.9537 0.9546 0.9617 0.9648 7.9312 7.9498 8.1329 8.1515 8.1629 8.1676 8.9566 8.9593 8.9727 8.9802 9.1929 9.1995 9.6749 9.7656 9.8655 9.9342 9.9775 9.9944 12.6545 12.6657 12.6917 12.6957 12.8080 12.8152 14.7949 14.7965 k = 0.0445-0.0001-0.0446 ( 2767 PWs) bands (ev): -45.9721 -45.9721 -22.6854 -22.6850 -22.0316 -22.0315 -22.0290 -22.0287 -14.4198 -14.4197 -6.5143 -6.5128 -5.8497 -5.8475 -5.8459 -5.8457 -0.9555 -0.9544 0.9545 0.9556 0.9677 0.9712 7.9179 7.9413 8.1138 8.1384 8.1550 8.1613 8.9362 8.9400 8.9598 8.9681 9.1818 9.1898 9.6426 9.7380 9.8615 9.9280 9.9769 9.9999 12.6567 12.6711 12.7098 12.7149 12.8166 12.8250 14.8048 14.8071 k = 0.0534-0.0001-0.0536 ( 2765 PWs) bands (ev): -45.9720 -45.9720 -22.6856 -22.6852 -22.0320 -22.0318 -22.0293 -22.0289 -14.4179 -14.4178 -6.5147 -6.5130 -5.8495 -5.8468 -5.8455 -5.8450 -0.9519 -0.9506 0.9555 0.9567 0.9749 0.9789 7.9015 7.9297 8.0919 8.1224 8.1458 8.1536 8.9114 8.9161 8.9440 8.9526 9.1708 9.1799 9.6077 9.7039 9.8579 9.9200 9.9750 10.0027 12.6604 12.6774 12.7319 12.7382 12.8274 12.8368 14.8165 14.8187 k = 0.0623-0.0002-0.0625 ( 2755 PWs) bands (ev): -45.9720 -45.9720 -22.6859 -22.6854 -22.0324 -22.0321 -22.0295 -22.0290 -14.4156 -14.4155 -6.5152 -6.5132 -5.8493 -5.8459 -5.8449 -5.8440 -0.9478 -0.9462 0.9567 0.9581 0.9833 0.9878 7.8817 7.9145 8.0676 8.1035 8.1353 8.1446 8.8824 8.8879 8.9250 8.9336 9.1607 9.1705 9.5703 9.6653 9.8532 9.9103 9.9715 10.0027 12.6659 12.6849 12.7575 12.7650 12.8405 12.8506 14.8300 14.8326 k = 0.0712-0.0002-0.0714 ( 2753 PWs) bands (ev): -45.9720 -45.9720 -22.6863 -22.6857 -22.0330 -22.0326 -22.0298 -22.0293 -14.4130 -14.4129 -6.5158 -6.5134 -5.8490 -5.8450 -5.8443 -5.8429 -0.9431 -0.9414 0.9581 0.9597 0.9928 0.9976 7.8584 7.8952 8.0414 8.0819 8.1239 8.1343 8.8492 8.8558 8.9030 8.9112 9.1520 9.1622 9.5308 9.6233 9.8467 9.8992 9.9663 9.9997 12.6734 12.6941 12.7863 12.7950 12.8558 12.8667 14.8451 14.8481 k = 0.0801-0.0002-0.0804 ( 2759 PWs) bands (ev): -45.9720 -45.9720 -22.6867 -22.6861 -22.0337 -22.0332 -22.0301 -22.0296 -14.4100 -14.4099 -6.5163 -6.5137 -5.8486 -5.8440 -5.8432 -5.8414 -0.9380 -0.9362 0.9596 0.9614 1.0033 1.0085 7.8312 7.8712 8.0140 8.0580 8.1117 8.1229 8.8123 8.8201 8.8782 8.8858 9.1448 9.1551 9.4893 9.5784 9.8384 9.8867 9.9592 9.9938 12.6831 12.7050 12.8178 12.8279 12.8733 12.8853 14.8617 14.8650 k = 0.0890-0.0002-0.0893 ( 2761 PWs) bands (ev): -45.9719 -45.9719 -22.6872 -22.6865 -22.0344 -22.0338 -22.0304 -22.0298 -14.4068 -14.4067 -6.5169 -6.5141 -5.8481 -5.8432 -5.8418 -5.8397 -0.9325 -0.9305 0.9613 0.9633 1.0147 1.0201 7.8003 7.8421 7.9856 8.0317 8.0989 8.1106 8.7721 8.7813 8.8508 8.8579 9.1392 9.1492 9.4462 9.5312 9.8284 9.8728 9.9501 9.9851 12.6951 12.7181 12.8515 12.8631 12.8933 12.9066 14.8796 14.8831 k = 0.0980-0.0003-0.0982 ( 2759 PWs) bands (ev): -45.9719 -45.9719 -22.6877 -22.6869 -22.0352 -22.0345 -22.0307 -22.0301 -14.4033 -14.4032 -6.5175 -6.5144 -5.8476 -5.8424 -5.8399 -5.8376 -0.9267 -0.9245 0.9632 0.9654 1.0269 1.0324 7.7655 7.8080 7.9564 8.0031 8.0857 8.0976 8.7291 8.7400 8.8211 8.8278 9.1349 9.1445 9.4018 9.4821 9.8166 9.8578 9.9391 9.9739 12.7095 12.7333 12.8864 12.8996 12.9162 12.9314 14.8985 14.9023 k = 0.1069-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9719 -45.9719 -22.6882 -22.6873 -22.0361 -22.0352 -22.0310 -22.0303 -14.3995 -14.3994 -6.5181 -6.5147 -5.8471 -5.8416 -5.8377 -5.8352 -0.9206 -0.9183 0.9652 0.9676 1.0397 1.0453 7.7270 7.7690 7.9261 7.9721 8.0723 8.0840 8.6839 8.6965 8.7896 8.7960 9.1316 9.1404 9.3566 9.4316 9.8033 9.8418 9.9265 9.9605 12.7264 12.7508 12.9214 12.9336 12.9456 12.9608 14.9184 14.9225 k = 0.1158-0.0003-0.1161 ( 2761 PWs) bands (ev): -45.9718 -45.9718 -22.6888 -22.6879 -22.0371 -22.0361 -22.0313 -22.0306 -14.3955 -14.3953 -6.5186 -6.5150 -5.8465 -5.8407 -5.8352 -5.8324 -0.9144 -0.9118 0.9674 0.9700 1.0529 1.0585 7.6853 7.7259 7.8944 7.9386 8.0588 8.0701 8.6369 8.6512 8.7565 8.7629 9.1287 9.1364 9.3114 9.3803 9.7887 9.8247 9.9123 9.9454 12.7457 12.7706 12.9549 12.9621 12.9840 12.9958 14.9389 14.9433 k = 0.1247-0.0003-0.1250 ( 2757 PWs) bands (ev): -45.9718 -45.9718 -22.6894 -22.6884 -22.0382 -22.0371 -22.0317 -22.0309 -14.3912 -14.3911 -6.5190 -6.5152 -5.8458 -5.8398 -5.8323 -5.8293 -0.9081 -0.9052 0.9697 0.9726 1.0665 1.0720 7.6405 7.6793 7.8608 7.9026 8.0451 8.0561 8.5886 8.6045 8.7222 8.7286 9.1255 9.1312 9.2678 9.3293 9.7729 9.8069 9.8969 9.9288 12.7675 12.7927 12.9871 12.9909 13.0257 13.0358 14.9601 14.9647 k = 0.1336-0.0004-0.1339 ( 2757 PWs) bands (ev): -45.9717 -45.9717 -22.6900 -22.6890 -22.0393 -22.0380 -22.0320 -22.0312 -14.3867 -14.3866 -6.5193 -6.5153 -5.8451 -5.8388 -5.8290 -5.8258 -0.9018 -0.8985 0.9722 0.9752 1.0801 1.0856 7.5931 7.6297 7.8251 7.8642 8.0315 8.0419 8.5392 8.5566 8.6871 8.6935 9.1194 9.1226 9.2289 9.2802 9.7558 9.7882 9.8806 9.9115 12.7917 12.8171 13.0188 13.0216 13.0693 13.0791 14.9816 14.9865 k = 0.1425-0.0004-0.1429 ( 2758 PWs) bands (ev): -45.9717 -45.9717 -22.6907 -22.6896 -22.0404 -22.0391 -22.0324 -22.0315 -14.3820 -14.3819 -6.5195 -6.5153 -5.8443 -5.8378 -5.8253 -5.8219 -0.8955 -0.8918 0.9747 0.9780 1.0937 1.0991 7.5436 7.5780 7.7870 7.8233 8.0177 8.0278 8.4890 8.5077 8.6514 8.6577 9.1010 9.1111 9.2006 9.2369 9.7376 9.7687 9.8641 9.8940 12.8182 12.8438 13.0510 13.0540 13.1143 13.1243 15.0034 15.0085 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9717 -45.9717 -22.6914 -22.6902 -22.0416 -22.0402 -22.0327 -22.0318 -14.3771 -14.3770 -6.5194 -6.5150 -5.8434 -5.8367 -5.8212 -5.8177 -0.8893 -0.8851 0.9774 0.9810 1.1069 1.1125 7.4924 7.5245 7.7465 7.7800 8.0037 8.0136 8.4381 8.4579 8.6153 8.6213 9.0685 9.0898 9.1861 9.2057 9.7182 9.7481 9.8478 9.8768 12.8469 12.8726 13.0844 13.0879 13.1606 13.1708 15.0253 15.0306 k = 0.1603-0.0004-0.1607 ( 2756 PWs) bands (ev): -45.9716 -45.9716 -22.6921 -22.6909 -22.0428 -22.0413 -22.0331 -22.0322 -14.3721 -14.3719 -6.5191 -6.5146 -5.8425 -5.8356 -5.8168 -5.8131 -0.8832 -0.8785 0.9801 0.9840 1.1197 1.1256 7.4399 7.4698 7.7038 7.7346 7.9896 7.9995 8.3867 8.4072 8.5790 8.5847 9.0277 9.0546 9.1811 9.1898 9.6974 9.7261 9.8325 9.8607 12.8776 12.9034 13.1191 13.1231 13.2077 13.2182 15.0471 15.0527 k = 0.1692-0.0005-0.1696 ( 2746 PWs) bands (ev): -45.9716 -45.9716 -22.6928 -22.6916 -22.0441 -22.0425 -22.0335 -22.0325 -14.3669 -14.3668 -6.5185 -6.5138 -5.8416 -5.8345 -5.8120 -5.8081 -0.8774 -0.8720 0.9828 0.9871 1.1318 1.1382 7.3865 7.4143 7.6589 7.6872 7.9751 7.9853 8.3347 8.3555 8.5428 8.5479 8.9837 9.0106 9.1807 9.1850 9.6752 9.7026 9.8189 9.8460 12.9104 12.9362 13.1551 13.1595 13.2556 13.2663 15.0688 15.0745 k = 0.1781-0.0005-0.1786 ( 2744 PWs) bands (ev): -45.9715 -45.9715 -22.6936 -22.6923 -22.0454 -22.0437 -22.0338 -22.0329 -14.3616 -14.3615 -6.5176 -6.5127 -5.8406 -5.8333 -5.8070 -5.8029 -0.8718 -0.8657 0.9856 0.9903 1.1431 1.1502 7.3325 7.3584 7.6121 7.6379 7.9603 7.9711 8.2821 8.3028 8.5067 8.5110 8.9393 8.9636 9.1825 9.1860 9.6515 9.6772 9.8075 9.8334 12.9450 12.9707 13.1920 13.1969 13.3040 13.3149 15.0902 15.0961 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9715 -45.9715 -22.6944 -22.6930 -22.0467 -22.0450 -22.0342 -22.0332 -14.3562 -14.3561 -6.5162 -6.5112 -5.8396 -5.8321 -5.8017 -5.7974 -0.8665 -0.8597 0.9883 0.9935 1.1534 1.1616 7.2782 7.3024 7.5635 7.5871 7.9449 7.9567 8.2288 8.2490 8.4707 8.4743 8.8960 8.9167 9.1860 9.1898 9.6262 9.6500 9.7987 9.8231 12.9812 13.0069 13.2300 13.2351 13.3528 13.3638 15.1112 15.1173 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9714 -45.9714 -22.6952 -22.6938 -22.0481 -22.0463 -22.0346 -22.0336 -14.3508 -14.3506 -6.5144 -6.5093 -5.8385 -5.8308 -5.7961 -5.7917 -0.8616 -0.8539 0.9910 0.9967 1.1626 1.1721 7.2241 7.2466 7.5135 7.5350 7.9289 7.9423 8.1749 8.1940 8.4351 8.4377 8.8550 8.8717 9.1908 9.1951 9.5995 9.6212 9.7926 9.8154 13.0190 13.0447 13.2686 13.2741 13.4018 13.4129 15.1317 15.1380 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9713 -45.9713 -22.6960 -22.6946 -22.0495 -22.0477 -22.0350 -22.0339 -14.3453 -14.3451 -6.5121 -6.5069 -5.8374 -5.8296 -5.7904 -5.7859 -0.8570 -0.8485 0.9936 1.0000 1.1707 1.1816 7.1702 7.1912 7.4623 7.4819 7.9120 7.9277 8.1202 8.1378 8.3996 8.4014 8.8169 8.8300 9.1966 9.2012 9.5714 9.5910 9.7893 9.8102 13.0582 13.0837 13.3079 13.3137 13.4509 13.4621 15.1516 15.1581 k = 0.2137-0.0006-0.2143 ( 2744 PWs) bands (ev): -45.9713 -45.9713 -22.6968 -22.6954 -22.0509 -22.0490 -22.0354 -22.0343 -14.3397 -14.3396 -6.5093 -6.5039 -5.8363 -5.8283 -5.7846 -5.7799 -0.8528 -0.8435 0.9960 1.0031 1.1775 1.1902 7.1168 7.1364 7.4102 7.4279 7.8936 7.9129 8.0650 8.0806 8.3644 8.3653 8.7826 8.7924 9.2031 9.2081 9.5423 9.5596 9.7887 9.8077 13.0986 13.1240 13.3475 13.3536 13.5000 13.5113 15.1708 15.1776 k = 0.2226-0.0006-0.2232 ( 2742 PWs) bands (ev): -45.9712 -45.9712 -22.6976 -22.6962 -22.0524 -22.0504 -22.0358 -22.0347 -14.3341 -14.3340 -6.5058 -6.5003 -5.8351 -5.8269 -5.7787 -5.7739 -0.8490 -0.8388 0.9982 1.0062 1.1830 1.1976 7.0642 7.0825 7.3574 7.3734 7.8730 7.8980 8.0091 8.0234 8.3293 8.3296 8.7525 8.7595 9.2101 9.2154 9.5122 9.5274 9.7906 9.8078 13.1401 13.1654 13.3874 13.3937 13.5490 13.5603 15.1894 15.1963 k = 0.2315-0.0006-0.2321 ( 2742 PWs) bands (ev): -45.9712 -45.9712 -22.6984 -22.6970 -22.0538 -22.0518 -22.0362 -22.0351 -14.3286 -14.3284 -6.5016 -6.4961 -5.8339 -5.8256 -5.7728 -5.7679 -0.8456 -0.8346 1.0002 1.0091 1.1873 1.2039 7.0124 7.0295 7.3041 7.3186 7.8483 7.8828 7.9519 7.9687 8.2939 8.2944 8.7272 8.7321 9.2175 9.2231 9.4815 9.4947 9.7950 9.8104 13.1825 13.2076 13.4273 13.4340 13.5979 13.6091 15.2071 15.2142 k = 0.2404-0.0006-0.2411 ( 2738 PWs) bands (ev): -45.9711 -45.9711 -22.6993 -22.6978 -22.0552 -22.0532 -22.0366 -22.0354 -14.3230 -14.3229 -6.4968 -6.4912 -5.8326 -5.8243 -5.7670 -5.7620 -0.8427 -0.8308 1.0019 1.0118 1.1904 1.2091 6.9616 6.9776 7.2506 7.2636 7.8164 7.8666 7.8929 7.9214 8.2587 8.2595 8.7070 8.7103 9.2250 9.2311 9.4504 9.4617 9.8017 9.8153 13.2256 13.2507 13.4672 13.4741 13.6464 13.6575 15.2240 15.2313 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9711 -45.9711 -22.7001 -22.6986 -22.0567 -22.0547 -22.0370 -22.0358 -14.3175 -14.3174 -6.4912 -6.4855 -5.8314 -5.8229 -5.7613 -5.7563 -0.8403 -0.8275 1.0032 1.0141 1.1923 1.2133 6.9119 6.9269 7.1971 7.2088 7.7744 7.8271 7.8548 7.8842 8.2238 8.2248 8.6919 8.6943 9.2326 9.2392 9.4191 9.4290 9.8105 9.8225 13.2694 13.2943 13.5069 13.5140 13.6945 13.7056 15.2400 15.2474 k = 0.2582-0.0007-0.2589 ( 2742 PWs) bands (ev): -45.9710 -45.9710 -22.7010 -22.6995 -22.0581 -22.0561 -22.0373 -22.0362 -14.3121 -14.3120 -6.4848 -6.4791 -5.8301 -5.8216 -5.7559 -5.7508 -0.8383 -0.8247 1.0040 1.0161 1.1931 1.2164 6.8634 6.8775 7.1438 7.1543 7.7232 7.7645 7.8385 7.8559 8.1892 8.1901 8.6822 8.6840 9.2399 9.2472 9.3881 9.3968 9.8213 9.8317 13.3136 13.3383 13.5462 13.5535 13.7422 13.7531 15.2551 15.2627 k = 0.2671-0.0007-0.2679 ( 2742 PWs) bands (ev): -45.9710 -45.9710 -22.7018 -22.7003 -22.0595 -22.0575 -22.0377 -22.0366 -14.3067 -14.3066 -6.4777 -6.4719 -5.8288 -5.8202 -5.7507 -5.7456 -0.8367 -0.8224 1.0043 1.0175 1.1931 1.2185 6.8161 6.8293 7.0909 7.1003 7.6665 7.7004 7.8227 7.8332 8.1550 8.1558 8.6775 8.6793 9.2466 9.2548 9.3576 9.3662 9.8339 9.8428 13.3582 13.3826 13.5850 13.5924 13.7892 13.8000 15.2692 15.2769 k = 0.2760-0.0007-0.2768 ( 2738 PWs) bands (ev): -45.9709 -45.9709 -22.7026 -22.7011 -22.0609 -22.0589 -22.0381 -22.0369 -14.3015 -14.3013 -6.4697 -6.4639 -5.8275 -5.8189 -5.7459 -5.7407 -0.8357 -0.8206 1.0040 1.0183 1.1923 1.2199 6.7701 6.7825 7.0386 7.0470 7.6069 7.6357 7.8067 7.8138 8.1213 8.1218 8.6778 8.6797 9.2513 9.2611 9.3287 9.3389 9.8481 9.8556 13.4029 13.4271 13.6231 13.6308 13.8356 13.8462 15.2823 15.2902 k = 0.2850-0.0008-0.2857 ( 2736 PWs) bands (ev): -45.9708 -45.9708 -22.7034 -22.7019 -22.0623 -22.0603 -22.0384 -22.0373 -14.2963 -14.2962 -6.4610 -6.4551 -5.8262 -5.8175 -5.7415 -5.7363 -0.8350 -0.8193 1.0029 1.0183 1.1911 1.2206 6.7255 6.7371 6.9872 6.9945 7.5459 7.5711 7.7902 7.7968 8.0882 8.0883 8.6825 8.6849 9.2504 9.2634 9.3041 9.3187 9.8637 9.8699 13.4475 13.4715 13.6606 13.6684 13.8813 13.8917 15.2945 15.3024 k = 0.2939-0.0008-0.2946 ( 2728 PWs) bands (ev): -45.9708 -45.9708 -22.7042 -22.7027 -22.0636 -22.0616 -22.0387 -22.0376 -14.2913 -14.2912 -6.4514 -6.4455 -5.8249 -5.8162 -5.7376 -5.7323 -0.8348 -0.8185 1.0011 1.0173 1.1895 1.2208 6.6822 6.6932 6.9366 6.9430 7.4846 7.5067 7.7737 7.7812 8.0555 8.0557 8.6911 8.6942 9.2389 9.2533 9.2932 9.3106 9.8805 9.8856 13.4921 13.5158 13.6972 13.7051 13.9260 13.9362 15.3056 15.3136 k = 0.3028-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9707 -45.9707 -22.7049 -22.7035 -22.0650 -22.0630 -22.0391 -22.0380 -14.2864 -14.2863 -6.4410 -6.4351 -5.8236 -5.8149 -5.7343 -5.7289 -0.8350 -0.8182 0.9985 1.0154 1.1879 1.2206 6.6403 6.6506 6.8872 6.8928 7.4234 7.4430 7.7575 7.7664 8.0234 8.0240 8.7031 8.7071 9.2188 9.2319 9.2956 9.3124 9.8984 9.9024 13.5363 13.5597 13.7328 13.7409 13.9698 13.9797 15.3157 15.3238 k = 0.3117-0.0008-0.3125 ( 2730 PWs) bands (ev): -45.9707 -45.9707 -22.7057 -22.7043 -22.0663 -22.0643 -22.0394 -22.0383 -14.2816 -14.2815 -6.4298 -6.4239 -5.8223 -5.8136 -5.7316 -5.7262 -0.8357 -0.8183 0.9950 1.0123 1.1865 1.2202 6.5999 6.6095 6.8391 6.8438 7.3627 7.3802 7.7420 7.7520 7.9922 7.9932 8.7176 8.7226 9.1962 9.2089 9.3021 9.3187 9.9171 9.9202 13.5801 13.6032 13.7674 13.7757 14.0125 14.0221 15.3248 15.3330 k = 0.3206-0.0009-0.3214 ( 2734 PWs) bands (ev): -45.9706 -45.9706 -22.7065 -22.7051 -22.0676 -22.0657 -22.0398 -22.0387 -14.2771 -14.2770 -6.4178 -6.4119 -5.8211 -5.8123 -5.7295 -5.7240 -0.8366 -0.8189 0.9905 1.0081 1.1854 1.2198 6.5609 6.5699 6.7924 6.7963 7.3031 7.3186 7.7271 7.7381 7.9619 7.9633 8.7337 8.7397 9.1745 9.1879 9.3098 9.3268 9.9364 9.9387 13.6233 13.6461 13.8009 13.8093 14.0540 14.0633 15.3329 15.3411 k = 0.3295-0.0009-0.3304 ( 2738 PWs) bands (ev): -45.9706 -45.9706 -22.7072 -22.7059 -22.0688 -22.0670 -22.0401 -22.0390 -14.2727 -14.2726 -6.4051 -6.3992 -5.8198 -5.8111 -5.7281 -5.7226 -0.8379 -0.8200 0.9853 1.0026 1.1848 1.2193 6.5234 6.5317 6.7474 6.7504 7.2447 7.2585 7.7129 7.7247 7.9326 7.9344 8.7502 8.7574 9.1555 9.1702 9.3179 9.3357 9.9562 9.9580 13.6658 13.6882 13.8332 13.8417 14.0942 14.1031 15.3400 15.3483 k = 0.3384-0.0009-0.3393 ( 2738 PWs) bands (ev): -45.9705 -45.9705 -22.7079 -22.7066 -22.0700 -22.0682 -22.0404 -22.0394 -14.2684 -14.2684 -6.3918 -6.3859 -5.8186 -5.8099 -5.7275 -5.7220 -0.8395 -0.8215 0.9791 0.9961 1.1848 1.2190 6.4873 6.4950 6.7041 6.7064 7.1878 7.2001 7.6994 7.7117 7.9044 7.9066 8.7659 8.7740 9.1407 9.1571 9.3261 9.3450 9.9761 9.9777 13.7073 13.7293 13.8643 13.8728 14.1330 14.1416 15.3462 15.3544 k = 0.3473-0.0009-0.3482 ( 2736 PWs) bands (ev): -45.9705 -45.9705 -22.7086 -22.7073 -22.0711 -22.0694 -22.0406 -22.0397 -14.2644 -14.2643 -6.3777 -6.3719 -5.8175 -5.8087 -5.7277 -5.7221 -0.8413 -0.8233 0.9723 0.9886 1.1853 1.2189 6.4527 6.4598 6.6627 6.6642 7.1327 7.1436 7.6867 7.6993 7.8774 7.8799 8.7791 8.7880 9.1315 9.1496 9.3345 9.3547 9.9960 9.9977 13.7479 13.7695 13.8940 13.9026 14.1703 14.1785 15.3514 15.3597 k = 0.3562-0.0010-0.3571 ( 2724 PWs) bands (ev): -45.9704 -45.9704 -22.7092 -22.7079 -22.0722 -22.0705 -22.0409 -22.0399 -14.2606 -14.2605 -6.3631 -6.3573 -5.8163 -5.8076 -5.7286 -5.7230 -0.8434 -0.8255 0.9648 0.9803 1.1864 1.2190 6.4197 6.4261 6.6234 6.6241 7.0796 7.0892 7.6747 7.6874 7.8515 7.8544 8.7887 8.7980 9.1291 9.1489 9.3428 9.3645 10.0159 10.0178 13.7872 13.8084 13.9223 13.9311 14.2060 14.2138 15.3558 15.3640 k = 0.3651-0.0010-0.3661 ( 2724 PWs) bands (ev): -45.9704 -45.9704 -22.7098 -22.7086 -22.0732 -22.0716 -22.0411 -22.0402 -14.2569 -14.2569 -6.3480 -6.3423 -5.8153 -5.8065 -5.7304 -5.7246 -0.8456 -0.8279 0.9568 0.9714 1.1880 1.2192 6.3881 6.3940 6.5861 6.5863 7.0287 7.0370 7.6636 7.6761 7.8268 7.8300 8.7938 8.8029 9.1339 9.1552 9.3512 9.3744 10.0355 10.0378 13.8252 13.8459 13.9491 13.9580 14.2400 14.2473 15.3594 15.3674 k = 0.3740-0.0010-0.3750 ( 2728 PWs) bands (ev): -45.9703 -45.9703 -22.7104 -22.7093 -22.0742 -22.0727 -22.0414 -22.0405 -14.2535 -14.2535 -6.3325 -6.3269 -5.8143 -5.8055 -5.7329 -5.7271 -0.8479 -0.8306 0.9485 0.9621 1.1900 1.2197 6.3581 6.3633 6.5506 6.5514 6.9801 6.9874 7.6532 7.6655 7.8034 7.8069 8.7941 8.8027 9.1456 9.1683 9.3595 9.3845 10.0547 10.0573 13.8617 13.8819 13.9744 13.9835 14.2722 14.2791 15.3621 15.3700 k = 0.3829-0.0010-0.3839 ( 2734 PWs) bands (ev): -45.9703 -45.9703 -22.7109 -22.7099 -22.0752 -22.0737 -22.0416 -22.0408 -14.2503 -14.2503 -6.3167 -6.3112 -5.8134 -5.8045 -5.7362 -5.7302 -0.8503 -0.8335 0.9399 0.9525 1.1924 1.2203 6.3297 6.3342 6.5175 6.5189 6.9340 6.9403 7.6437 7.6556 7.7812 7.7849 8.7903 8.7980 9.1630 9.1871 9.3679 9.3948 10.0734 10.0764 13.8967 13.9163 13.9982 14.0075 14.3025 14.3089 15.3642 15.3719 k = 0.3918-0.0011-0.3929 ( 2738 PWs) bands (ev): -45.9703 -45.9703 -22.7115 -22.7105 -22.0760 -22.0747 -22.0418 -22.0411 -14.2474 -14.2473 -6.3008 -6.2954 -5.8125 -5.8036 -5.7402 -5.7341 -0.8527 -0.8366 0.9313 0.9429 1.1950 1.2211 6.3028 6.3068 6.4869 6.4889 6.8906 6.8960 7.6351 7.6465 7.7604 7.7643 8.7834 8.7900 9.1843 9.2099 9.3764 9.4053 10.0915 10.0947 13.9298 13.9489 14.0204 14.0299 14.3308 14.3367 15.3656 15.3730 k = 0.4007-0.0011-0.4018 ( 2738 PWs) bands (ev): -45.9702 -45.9702 -22.7119 -22.7110 -22.0768 -22.0756 -22.0420 -22.0413 -14.2446 -14.2446 -6.2848 -6.2796 -5.8118 -5.8028 -5.7448 -5.7386 -0.8551 -0.8397 0.9229 0.9334 1.1977 1.2219 6.2775 6.2810 6.4588 6.4614 6.8501 6.8545 7.6274 7.6382 7.7408 7.7448 8.7744 8.7799 9.2080 9.2352 9.3851 9.4161 10.1088 10.1121 13.9610 13.9796 14.0410 14.0506 14.3571 14.3626 15.3665 15.3736 k = 0.4096-0.0011-0.4107 ( 2734 PWs) bands (ev): -45.9702 -45.9702 -22.7123 -22.7115 -22.0775 -22.0764 -22.0421 -22.0415 -14.2421 -14.2421 -6.2689 -6.2639 -5.8111 -5.8020 -5.7500 -5.7436 -0.8574 -0.8429 0.9147 0.9242 1.2006 1.2227 6.2540 6.2570 6.4335 6.4364 6.8124 6.8162 7.6207 7.6307 7.7225 7.7267 8.7642 8.7687 9.2324 9.2612 9.3944 9.4272 10.1252 10.1286 13.9901 14.0082 14.0599 14.0698 14.3812 14.3862 15.3669 15.3736 k = 0.4185-0.0011-0.4196 ( 2732 PWs) bands (ev): -45.9702 -45.9702 -22.7127 -22.7119 -22.0782 -22.0771 -22.0423 -22.0417 -14.2398 -14.2398 -6.2533 -6.2485 -5.8105 -5.8012 -5.7557 -5.7490 -0.8595 -0.8461 0.9069 0.9155 1.2035 1.2235 6.2322 6.2348 6.4108 6.4140 6.7779 6.7809 7.6148 7.6242 7.7055 7.7098 8.7535 8.7572 9.2562 9.2862 9.4046 9.4388 10.1405 10.1439 14.0171 14.0346 14.0771 14.0873 14.4033 14.4078 15.3669 15.3732 k = 0.4274-0.0011-0.4286 ( 2738 PWs) bands (ev): -45.9702 -45.9702 -22.7131 -22.7124 -22.0788 -22.0779 -22.0424 -22.0419 -14.2377 -14.2377 -6.2383 -6.2337 -5.8101 -5.8006 -5.7617 -5.7547 -0.8615 -0.8492 0.8996 0.9072 1.2064 1.2243 6.2123 6.2146 6.3907 6.3941 6.7465 6.7489 7.6100 7.6186 7.6899 7.6942 8.7430 8.7459 9.2785 9.3088 9.4162 9.4506 10.1547 10.1579 14.0416 14.0586 14.0925 14.1032 14.4231 14.4271 15.3666 15.3724 k = 0.4363-0.0012-0.4375 ( 2740 PWs) bands (ev): -45.9701 -45.9701 -22.7134 -22.7128 -22.0793 -22.0785 -22.0425 -22.0421 -14.2359 -14.2359 -6.2239 -6.2197 -5.8098 -5.8001 -5.7678 -5.7604 -0.8633 -0.8523 0.8930 0.8997 1.2091 1.2249 6.1944 6.1963 6.3732 6.3767 6.7184 6.7202 7.6062 7.6140 7.6755 7.6799 8.7329 8.7353 9.2986 9.3279 9.4294 9.4626 10.1675 10.1706 14.0637 14.0801 14.1063 14.1173 14.4407 14.4442 15.3661 15.3714 k = 0.4452-0.0012-0.4464 ( 2734 PWs) bands (ev): -45.9701 -45.9701 -22.7136 -22.7131 -22.0798 -22.0790 -22.0426 -22.0422 -14.2343 -14.2343 -6.2105 -6.2067 -5.8097 -5.7997 -5.7738 -5.7660 -0.8648 -0.8551 0.8871 0.8929 1.2118 1.2254 6.1785 6.1802 6.3584 6.3617 6.6937 6.6951 7.6035 7.6105 7.6625 7.6668 8.7238 8.7256 9.3160 9.3428 9.4440 9.4745 10.1789 10.1818 14.0832 14.0990 14.1185 14.1297 14.4560 14.4591 15.3655 15.3702 k = 0.4541-0.0012-0.4554 ( 2724 PWs) bands (ev): -45.9701 -45.9701 -22.7138 -22.7133 -22.0801 -22.0794 -22.0427 -22.0423 -14.2330 -14.2330 -6.1983 -6.1950 -5.8096 -5.7996 -5.7793 -5.7713 -0.8660 -0.8577 0.8821 0.8869 1.2143 1.2257 6.1649 6.1663 6.3460 6.3490 6.6725 6.6735 7.6018 7.6081 7.6508 7.6550 8.7156 8.7170 9.3307 9.3538 9.4594 9.4857 10.1889 10.1914 14.1000 14.1148 14.1291 14.1403 14.4691 14.4717 15.3649 15.3689 k = 0.4630-0.0012-0.4643 ( 2728 PWs) bands (ev): -45.9701 -45.9701 -22.7140 -22.7136 -22.0804 -22.0799 -22.0427 -22.0425 -14.2319 -14.2319 -6.1876 -6.1848 -5.8096 -5.7999 -5.7840 -5.7761 -0.8668 -0.8601 0.8779 0.8818 1.2165 1.2258 6.1536 6.1547 6.3360 6.3386 6.6549 6.6556 7.6011 7.6068 7.6404 7.6445 8.7088 8.7098 9.3426 9.3614 9.4742 9.4956 10.1972 10.1993 14.1140 14.1273 14.1386 14.1490 14.4799 14.4820 15.3643 15.3676 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9701 -45.9701 -22.7141 -22.7138 -22.0806 -22.0802 -22.0428 -22.0426 -14.2310 -14.2310 -6.1788 -6.1766 -5.8096 -5.8011 -5.7873 -5.7802 -0.8674 -0.8622 0.8747 0.8776 1.2186 1.2256 6.1446 6.1455 6.3284 6.3305 6.6409 6.6414 7.6016 7.6068 7.6313 7.6353 8.7033 8.7040 9.3521 9.3662 9.4875 9.5037 10.2039 10.2056 14.1253 14.1359 14.1472 14.1558 14.4885 14.4900 15.3639 15.3665 k = 0.4809-0.0013-0.4821 ( 2728 PWs) bands (ev): -45.9701 -45.9701 -22.7142 -22.7140 -22.0808 -22.0805 -22.0428 -22.0426 -14.2304 -14.2304 -6.1720 -6.1704 -5.8094 -5.8030 -5.7888 -5.7835 -0.8675 -0.8640 0.8724 0.8745 1.2204 1.2252 6.1380 6.1387 6.3230 6.3245 6.6308 6.6311 7.6032 7.6079 7.6234 7.6274 8.6992 8.6997 9.3594 9.3689 9.4983 9.5094 10.2089 10.2101 14.1338 14.1412 14.1545 14.1605 14.4947 14.4958 15.3636 15.3654 k = 0.4898-0.0013-0.4911 ( 2726 PWs) bands (ev): -45.9700 -45.9700 -22.7142 -22.7141 -22.0808 -22.0807 -22.0428 -22.0427 -14.2300 -14.2300 -6.1675 -6.1666 -5.8087 -5.8052 -5.7890 -5.7860 -0.8673 -0.8654 0.8712 0.8723 1.2220 1.2245 6.1340 6.1343 6.3198 6.3207 6.6244 6.6246 7.6060 7.6103 7.6168 7.6207 8.6967 8.6970 9.3646 9.3696 9.5063 9.5121 10.2122 10.2128 14.1397 14.1436 14.1598 14.1630 14.4987 14.4993 15.3636 15.3646 k = 0.4987-0.0013-0.5000 ( 2720 PWs) bands (ev): -45.9700 -45.9700 -22.7142 -22.7142 -22.0808 -22.0808 -22.0427 -22.0427 -14.2298 -14.2298 -6.1655 -6.1653 -5.8076 -5.8071 -5.7882 -5.7878 -0.8667 -0.8665 0.8710 0.8711 1.2233 1.2236 6.1325 6.1326 6.3188 6.3189 6.6220 6.6220 7.6099 7.6112 7.6141 7.6154 8.6958 8.6958 9.3679 9.3686 9.5110 9.5118 10.2136 10.2137 14.1430 14.1436 14.1627 14.1632 14.5004 14.5005 15.3639 15.3640 k = 0.5013 0.4973-0.0027 ( 2720 PWs) bands (ev): -45.9700 -45.9700 -22.7142 -22.7142 -22.0808 -22.0808 -22.0427 -22.0427 -14.2298 -14.2298 -6.1652 -6.1651 -5.8077 -5.8073 -5.7883 -5.7879 -0.8667 -0.8665 0.8710 0.8711 1.2233 1.2236 6.1324 6.1325 6.3187 6.3188 6.6219 6.6219 7.6098 7.6111 7.6140 7.6153 8.6960 8.6961 9.3681 9.3688 9.5112 9.5120 10.2135 10.2136 14.1430 14.1435 14.1627 14.1631 14.5004 14.5005 15.3639 15.3641 k = 0.5000 0.4987-0.0027 ( 2716 PWs) bands (ev): -45.9700 -45.9700 -22.7141 -22.7141 -22.0808 -22.0808 -22.0427 -22.0427 -14.2298 -14.2298 -6.1651 -6.1651 -5.8075 -5.8075 -5.7881 -5.7881 -0.8666 -0.8666 0.8711 0.8711 1.2234 1.2234 6.1324 6.1324 6.3188 6.3188 6.6219 6.6219 7.6105 7.6105 7.6146 7.6146 8.6960 8.6960 9.3685 9.3685 9.5117 9.5117 10.2135 10.2135 14.1433 14.1433 14.1630 14.1630 14.5005 14.5005 15.3640 15.3640 k = 0.5000 0.4987-0.0027 ( 2716 PWs) bands (ev): -45.9700 -45.9700 -22.7141 -22.7141 -22.0808 -22.0808 -22.0427 -22.0427 -14.2298 -14.2298 -6.1651 -6.1651 -5.8075 -5.8075 -5.7881 -5.7881 -0.8666 -0.8666 0.8711 0.8711 1.2234 1.2234 6.1324 6.1324 6.3188 6.3188 6.6219 6.6219 7.6105 7.6105 7.6146 7.6146 8.6960 8.6960 9.3685 9.3685 9.5117 9.5117 10.2135 10.2135 14.1433 14.1433 14.1630 14.1630 14.5005 14.5005 15.3640 15.3640 k = 0.5000 0.4987 0.0098 ( 2722 PWs) bands (ev): -45.9700 -45.9700 -22.7142 -22.7142 -22.0808 -22.0808 -22.0428 -22.0427 -14.2297 -14.2297 -6.1644 -6.1643 -5.8074 -5.8071 -5.7879 -5.7879 -0.8692 -0.8662 0.8699 0.8699 1.2194 1.2234 6.1321 6.1328 6.3215 6.3217 6.6218 6.6219 7.6106 7.6113 7.6157 7.6158 8.6914 8.6918 9.3696 9.3697 9.5122 9.5125 10.2136 10.2136 14.1431 14.1445 14.1633 14.1635 14.5008 14.5008 15.3686 15.3698 k = 0.5001 0.4987 0.0222 ( 2728 PWs) bands (ev): -45.9700 -45.9700 -22.7144 -22.7142 -22.0808 -22.0808 -22.0431 -22.0429 -14.2294 -14.2294 -6.1621 -6.1619 -5.8067 -5.8061 -5.7872 -5.7872 -0.8738 -0.8678 0.8663 0.8664 1.2113 1.2192 6.1320 6.1334 6.3298 6.3303 6.6218 6.6218 7.6116 7.6131 7.6191 7.6193 8.6781 8.6789 9.3731 9.3732 9.5140 9.5147 10.2139 10.2140 14.1438 14.1467 14.1647 14.1651 14.5018 14.5019 15.3834 15.3858 k = 0.5001 0.4988 0.0346 ( 2728 PWs) bands (ev): -45.9700 -45.9700 -22.7145 -22.7143 -22.0808 -22.0808 -22.0434 -22.0431 -14.2289 -14.2289 -6.1584 -6.1580 -5.8055 -5.8046 -5.7861 -5.7861 -0.8804 -0.8715 0.8604 0.8605 1.1992 1.2109 6.1321 6.1340 6.3436 6.3445 6.6218 6.6218 7.6135 7.6158 7.6247 7.6250 8.6565 8.6576 9.3788 9.3789 9.5172 9.5181 10.2145 10.2145 14.1453 14.1498 14.1671 14.1680 14.5036 14.5038 15.4083 15.4117 k = 0.5001 0.4988 0.0471 ( 2727 PWs) bands (ev): -45.9700 -45.9700 -22.7146 -22.7144 -22.0807 -22.0807 -22.0438 -22.0435 -14.2282 -14.2282 -6.1531 -6.1527 -5.8038 -5.8026 -5.7845 -5.7845 -0.8890 -0.8772 0.8522 0.8523 1.1833 1.1987 6.1323 6.1346 6.3629 6.3642 6.6218 6.6218 7.6162 7.6193 7.6324 7.6328 8.6268 8.6282 9.3867 9.3869 9.5217 9.5229 10.2152 10.2152 14.1475 14.1534 14.1711 14.1725 14.5061 14.5063 15.4426 15.4470 k = 0.5002 0.4988 0.0595 ( 2732 PWs) bands (ev): -45.9700 -45.9700 -22.7149 -22.7145 -22.0807 -22.0807 -22.0444 -22.0439 -14.2273 -14.2273 -6.1464 -6.1458 -5.8016 -5.8000 -5.7825 -5.7825 -0.8996 -0.8850 0.8418 0.8420 1.1638 1.1827 6.1326 6.1351 6.3875 6.3892 6.6218 6.6218 7.6197 7.6236 7.6421 7.6426 8.5897 8.5913 9.3966 9.3970 9.5276 9.5290 10.2161 10.2161 14.1505 14.1575 14.1770 14.1788 14.5093 14.5095 15.4858 15.4910 k = 0.5002 0.4989 0.0719 ( 2738 PWs) bands (ev): -45.9700 -45.9700 -22.7151 -22.7147 -22.0807 -22.0807 -22.0451 -22.0445 -14.2263 -14.2263 -6.1382 -6.1375 -5.7988 -5.7970 -5.7801 -5.7801 -0.9120 -0.8946 0.8293 0.8295 1.1408 1.1631 6.1329 6.1356 6.4172 6.4191 6.6218 6.6219 7.6237 7.6286 7.6536 7.6543 8.5458 8.5476 9.4086 9.4091 9.5348 9.5364 10.2172 10.2172 14.1542 14.1621 14.1848 14.1868 14.5132 14.5134 15.5372 15.5430 k = 0.5002 0.4989 0.0844 ( 2742 PWs) bands (ev): -45.9700 -45.9700 -22.7154 -22.7149 -22.0807 -22.0806 -22.0458 -22.0452 -14.2250 -14.2250 -6.1286 -6.1278 -5.7956 -5.7934 -5.7773 -5.7772 -0.9261 -0.9062 0.8147 0.8149 1.1146 1.1402 6.1332 6.1359 6.4517 6.4538 6.6218 6.6220 7.6283 7.6342 7.6666 7.6675 8.4959 8.4977 9.4226 9.4233 9.5434 9.5451 10.2184 10.2185 14.1590 14.1673 14.1946 14.1965 14.5178 14.5180 15.5958 15.6022 k = 0.5003 0.4989 0.0968 ( 2742 PWs) bands (ev): -45.9700 -45.9700 -22.7157 -22.7152 -22.0806 -22.0806 -22.0466 -22.0460 -14.2236 -14.2236 -6.1176 -6.1168 -5.7919 -5.7894 -5.7741 -5.7740 -0.9420 -0.9196 0.7982 0.7984 1.0855 1.1141 6.1334 6.1362 6.4906 6.4927 6.6219 6.6221 7.6331 7.6401 7.6810 7.6821 8.4407 8.4424 9.4385 9.4393 9.5534 9.5552 10.2199 10.2200 14.1650 14.1736 14.2060 14.2079 14.5230 14.5232 15.6609 15.6677 k = 0.5003 0.4990 0.1092 ( 2741 PWs) bands (ev): -45.9699 -45.9699 -22.7160 -22.7154 -22.0805 -22.0805 -22.0475 -22.0468 -14.2221 -14.2221 -6.1054 -6.1044 -5.7877 -5.7849 -5.7704 -5.7704 -0.9594 -0.9346 0.7799 0.7801 1.0539 1.0852 6.1336 6.1363 6.5337 6.5354 6.6220 6.6225 7.6380 7.6462 7.6964 7.6978 8.3811 8.3827 9.4563 9.4574 9.5648 9.5667 10.2215 10.2216 14.1723 14.1810 14.2190 14.2208 14.5288 14.5290 15.7315 15.7385 k = 0.5003 0.4990 0.1217 ( 2741 PWs) bands (ev): -45.9699 -45.9699 -22.7164 -22.7157 -22.0805 -22.0804 -22.0485 -22.0477 -14.2203 -14.2203 -6.0919 -6.0908 -5.7831 -5.7800 -5.7665 -5.7664 -0.9782 -0.9513 0.7599 0.7602 1.0199 1.0537 6.1338 6.1364 6.5803 6.5806 6.6222 6.6239 7.6427 7.6522 7.7124 7.7141 8.3182 8.3195 9.4760 9.4773 9.5777 9.5796 10.2233 10.2235 14.1811 14.1897 14.2335 14.2352 14.5352 14.5354 15.8067 15.8139 k = 0.5004 0.4990 0.1341 ( 2736 PWs) bands (ev): -45.9699 -45.9699 -22.7168 -22.7160 -22.0804 -22.0803 -22.0495 -22.0487 -14.2185 -14.2185 -6.0773 -6.0761 -5.7781 -5.7747 -5.7621 -5.7621 -0.9984 -0.9694 0.7384 0.7387 0.9840 1.0200 6.1338 6.1363 6.6156 6.6206 6.6321 6.6386 7.6467 7.6576 7.7286 7.7307 8.2532 8.2541 9.4976 9.4990 9.5921 9.5940 10.2253 10.2254 14.1914 14.1998 14.2494 14.2509 14.5422 14.5424 15.8855 15.8928 k = 0.5004 0.4991 0.1465 ( 2737 PWs) bands (ev): -45.9699 -45.9699 -22.7172 -22.7164 -22.0803 -22.0802 -22.0507 -22.0497 -14.2165 -14.2164 -6.0616 -6.0603 -5.7727 -5.7690 -5.7575 -5.7574 -1.0198 -0.9889 0.7155 0.7159 0.9465 0.9844 6.1336 6.1360 6.6200 6.6218 6.6840 6.6865 7.6495 7.6617 7.7443 7.7469 8.1878 8.1880 9.5209 9.5226 9.6081 9.6100 10.2274 10.2275 14.2032 14.2113 14.2664 14.2678 14.5497 14.5498 15.9671 15.9744 k = 0.5004 0.4991 0.1589 ( 2737 PWs) bands (ev): -45.9698 -45.9698 -22.7176 -22.7168 -22.0802 -22.0802 -22.0518 -22.0509 -14.2143 -14.2143 -6.0449 -6.0434 -5.7669 -5.7630 -5.7525 -5.7525 -1.0422 -1.0097 0.6915 0.6919 0.9076 0.9471 6.1333 6.1356 6.6208 6.6220 6.7392 6.7402 7.6500 7.6634 7.7588 7.7619 8.1234 8.1242 9.5461 9.5480 9.6257 9.6276 10.2296 10.2298 14.2164 14.2242 14.2847 14.2859 14.5577 14.5577 16.0504 16.0577 k = 0.5005 0.4991 0.1714 ( 2736 PWs) bands (ev): -45.9698 -45.9698 -22.7180 -22.7172 -22.0801 -22.0801 -22.0531 -22.0520 -14.2121 -14.2121 -6.0273 -6.0257 -5.7608 -5.7566 -5.7473 -5.7472 -1.0655 -1.0315 0.6664 0.6669 0.8676 0.9086 6.1328 6.1350 6.6212 6.6222 6.7959 6.7965 7.6467 7.6606 7.7710 7.7745 8.0634 8.0659 9.5730 9.5750 9.6449 9.6468 10.2319 10.2322 14.2310 14.2384 14.3040 14.3051 14.5661 14.5661 16.1345 16.1418 k = 0.5005 0.4992 0.1838 ( 2730 PWs) bands (ev): -45.9697 -45.9697 -22.7185 -22.7176 -22.0800 -22.0800 -22.0543 -22.0532 -14.2098 -14.2098 -6.0088 -6.0072 -5.7545 -5.7500 -5.7418 -5.7417 -1.0895 -1.0543 0.6404 0.6409 0.8269 0.8690 6.1321 6.1341 6.6216 6.6224 6.8530 6.8552 7.6366 7.6500 7.7800 7.7833 8.0128 8.0174 9.6016 9.6037 9.6658 9.6677 10.2343 10.2346 14.2469 14.2539 14.3242 14.3253 14.5748 14.5749 16.2185 16.2257 k = 0.5005 0.4992 0.1962 ( 2730 PWs) bands (ev): -45.9697 -45.9697 -22.7190 -22.7181 -22.0799 -22.0799 -22.0556 -22.0545 -14.2074 -14.2074 -5.9897 -5.9879 -5.7479 -5.7431 -5.7361 -5.7360 -1.1142 -1.0779 0.6137 0.6143 0.7858 0.8287 6.1310 6.1330 6.6218 6.6226 6.9107 6.9148 7.6159 7.6274 7.7858 7.7870 7.9768 7.9837 9.6317 9.6339 9.6884 9.6902 10.2368 10.2372 14.2640 14.2706 14.3453 14.3462 14.5839 14.5841 16.3013 16.3085 k = 0.5006 0.4992 0.2087 ( 2732 PWs) bands (ev): -45.9697 -45.9697 -22.7195 -22.7185 -22.0798 -22.0798 -22.0570 -22.0558 -14.2049 -14.2049 -5.9699 -5.9681 -5.7412 -5.7360 -5.7302 -5.7300 -1.1392 -1.1022 0.5865 0.5872 0.7445 0.7879 6.1296 6.1315 6.6221 6.6228 6.9686 6.9749 7.5815 7.5898 7.7868 7.7898 7.9582 7.9663 9.6633 9.6655 9.7126 9.7144 10.2394 10.2399 14.2822 14.2883 14.3671 14.3680 14.5932 14.5935 16.3819 16.3892 k = 0.5006 0.4993 0.2211 ( 2734 PWs) bands (ev): -45.9696 -45.9696 -22.7200 -22.7190 -22.0797 -22.0797 -22.0584 -22.0572 -14.2024 -14.2024 -5.9497 -5.9477 -5.7343 -5.7288 -5.7242 -5.7238 -1.1646 -1.1269 0.5590 0.5597 0.7033 0.7469 6.1279 6.1296 6.6224 6.6231 7.0261 7.0348 7.5333 7.5387 7.7859 7.7942 7.9539 7.9620 9.6961 9.6984 9.7384 9.7402 10.2421 10.2426 14.3013 14.3070 14.3895 14.3904 14.6028 14.6032 16.4593 16.4668 k = 0.5006 0.4993 0.2335 ( 2728 PWs) bands (ev): -45.9696 -45.9696 -22.7204 -22.7195 -22.0796 -22.0795 -22.0597 -22.0585 -14.1998 -14.1998 -5.9291 -5.9270 -5.7273 -5.7216 -5.7179 -5.7175 -1.1901 -1.1521 0.5313 0.5321 0.6624 0.7060 6.1256 6.1272 6.6227 6.6233 7.0826 7.0940 7.4752 7.4785 7.7868 7.8004 7.9584 7.9661 9.7300 9.7324 9.7657 9.7675 10.2448 10.2454 14.3213 14.3264 14.4125 14.4133 14.6126 14.6130 16.5324 16.5403 k = 0.5007 0.4993 0.2460 ( 2732 PWs) bands (ev): -45.9696 -45.9696 -22.7210 -22.7200 -22.0795 -22.0795 -22.0611 -22.0599 -14.1972 -14.1972 -5.9083 -5.9060 -5.7203 -5.7144 -5.7114 -5.7110 -1.2156 -1.1774 0.5036 0.5045 0.6220 0.6654 6.1229 6.1243 6.6231 6.6236 7.1371 7.1514 7.4116 7.4137 7.7901 7.8084 7.9675 7.9746 9.7649 9.7673 9.7944 9.7962 10.2475 10.2482 14.3418 14.3466 14.4358 14.4366 14.6225 14.6230 16.6004 16.6087 k = 0.5007 0.4994 0.2584 ( 2736 PWs) bands (ev): -45.9695 -45.9695 -22.7215 -22.7205 -22.0795 -22.0794 -22.0625 -22.0613 -14.1946 -14.1946 -5.8873 -5.8850 -5.7133 -5.7074 -5.7046 -5.7043 -1.2409 -1.2028 0.4760 0.4770 0.5825 0.6253 6.1195 6.1208 6.6234 6.6239 7.1876 7.2051 7.3474 7.3488 7.7956 7.8180 7.9786 7.9852 9.8005 9.8029 9.8243 9.8262 10.2502 10.2510 14.3629 14.3672 14.4594 14.4601 14.6325 14.6331 16.6622 16.6713 k = 0.5007 0.4994 0.2708 ( 2734 PWs) bands (ev): -45.9695 -45.9695 -22.7220 -22.7210 -22.0794 -22.0793 -22.0638 -22.0626 -14.1921 -14.1921 -5.8664 -5.8639 -5.7065 -5.7007 -5.6976 -5.6975 -1.2658 -1.2280 0.4487 0.4498 0.5439 0.5859 6.1154 6.1166 6.6237 6.6242 7.2218 7.2374 7.2976 7.3017 7.8031 7.8292 7.9905 7.9968 9.8366 9.8389 9.8554 9.8573 10.2529 10.2538 14.3843 14.3882 14.4832 14.4839 14.6426 14.6432 16.7173 16.7272 k = 0.5008 0.4994 0.2833 ( 2742 PWs) bands (ev): -45.9694 -45.9694 -22.7225 -22.7216 -22.0793 -22.0792 -22.0652 -22.0640 -14.1895 -14.1895 -5.8456 -5.8430 -5.6998 -5.6943 -5.6907 -5.6903 -1.2903 -1.2530 0.4219 0.4231 0.5065 0.5475 6.1106 6.1117 6.6241 6.6246 7.1911 7.1955 7.3095 7.3284 7.8123 7.8418 8.0025 8.0084 9.8729 9.8751 9.8873 9.8893 10.2556 10.2566 14.4058 14.4094 14.5070 14.5076 14.6526 14.6534 16.7650 16.7761 k = 0.5008 0.4995 0.2957 ( 2740 PWs) bands (ev): -45.9694 -45.9694 -22.7230 -22.7221 -22.0792 -22.0791 -22.0664 -22.0653 -14.1870 -14.1870 -5.8251 -5.8223 -5.6932 -5.6880 -5.6838 -5.6830 -1.3141 -1.2777 0.3958 0.3971 0.4705 0.5102 6.1049 6.1059 6.6245 6.6249 7.1313 7.1337 7.3495 7.3736 7.8234 7.8559 8.0141 8.0198 9.9091 9.9111 9.9200 9.9221 10.2582 10.2594 14.4274 14.4305 14.5307 14.5313 14.6626 14.6634 16.8052 16.8177 k = 0.5008 0.4995 0.3081 ( 2744 PWs) bands (ev): -45.9694 -45.9694 -22.7235 -22.7226 -22.0792 -22.0791 -22.0677 -22.0665 -14.1846 -14.1846 -5.8050 -5.8021 -5.6869 -5.6818 -5.6769 -5.6758 -1.3372 -1.3017 0.3704 0.3718 0.4359 0.4741 6.0983 6.0992 6.6248 6.6252 7.0703 7.0721 7.3900 7.4174 7.8365 7.8714 8.0250 8.0307 9.9447 9.9465 9.9534 9.9555 10.2608 10.2621 14.4487 14.4516 14.5541 14.5547 14.6726 14.6734 16.8380 16.8521 k = 0.5009 0.4995 0.3206 ( 2742 PWs) bands (ev): -45.9693 -45.9693 -22.7240 -22.7231 -22.0791 -22.0790 -22.0689 -22.0677 -14.1822 -14.1822 -5.7855 -5.7823 -5.6808 -5.6758 -5.6701 -5.6688 -1.3593 -1.3251 0.3459 0.3475 0.4030 0.4395 6.0908 6.0915 6.6252 6.6256 7.0116 7.0131 7.4277 7.4574 7.8517 7.8882 8.0352 8.0408 9.9797 9.9809 9.9874 9.9891 10.2633 10.2648 14.4697 14.4722 14.5771 14.5777 14.6824 14.6833 16.8640 16.8798 k = 0.5009 0.4996 0.3330 ( 2746 PWs) bands (ev): -45.9693 -45.9693 -22.7244 -22.7236 -22.0791 -22.0790 -22.0700 -22.0689 -14.1799 -14.1799 -5.7668 -5.7633 -5.6750 -5.6699 -5.6634 -5.6620 -1.3805 -1.3476 0.3225 0.3242 0.3719 0.4065 6.0823 6.0829 6.6255 6.6259 6.9563 6.9577 7.4617 7.4930 7.8692 7.9064 8.0446 8.0502 10.0135 10.0140 10.0215 10.0228 10.2657 10.2674 14.4902 14.4924 14.5996 14.6002 14.6920 14.6929 16.8839 16.9015 k = 0.5009 0.4996 0.3454 ( 2748 PWs) bands (ev): -45.9693 -45.9693 -22.7249 -22.7241 -22.0790 -22.0789 -22.0711 -22.0701 -14.1777 -14.1777 -5.7488 -5.7452 -5.6693 -5.6642 -5.6569 -5.6555 -1.4005 -1.3692 0.3003 0.3021 0.3428 0.3752 6.0728 6.0734 6.6259 6.6262 6.9051 6.9063 7.4918 7.5236 7.8887 7.9257 8.0531 8.0587 10.0461 10.0462 10.0549 10.0560 10.2680 10.2700 14.5099 14.5119 14.6214 14.6220 14.7014 14.7024 16.8986 16.9179 k = 0.5010 0.4996 0.3579 ( 2750 PWs) bands (ev): -45.9692 -45.9692 -22.7253 -22.7245 -22.0790 -22.0789 -22.0721 -22.0711 -14.1756 -14.1756 -5.7319 -5.7279 -5.6640 -5.6586 -5.6507 -5.6493 -1.4192 -1.3898 0.2793 0.2813 0.3156 0.3458 6.0626 6.0630 6.6262 6.6265 6.8583 6.8594 7.5180 7.5494 7.9100 7.9456 8.0608 8.0665 10.0771 10.0777 10.0872 10.0882 10.2702 10.2724 14.5287 14.5305 14.6424 14.6429 14.7106 14.7116 16.9090 16.9300 k = 0.5010 0.4997 0.3703 ( 2750 PWs) bands (ev): -45.9692 -45.9692 -22.7256 -22.7249 -22.0790 -22.0788 -22.0731 -22.0721 -14.1737 -14.1737 -5.7162 -5.7119 -5.6589 -5.6532 -5.6448 -5.6435 -1.4366 -1.4091 0.2598 0.2619 0.2905 0.3183 6.0515 6.0519 6.6265 6.6268 6.8161 6.8170 7.5405 7.5706 7.9326 7.9659 8.0676 8.0736 10.1067 10.1076 10.1180 10.1190 10.2723 10.2748 14.5464 14.5480 14.6624 14.6629 14.7196 14.7205 16.9161 16.9386 k = 0.5010 0.4997 0.3827 ( 2752 PWs) bands (ev): -45.9692 -45.9692 -22.7260 -22.7253 -22.0790 -22.0788 -22.0739 -22.0730 -14.1719 -14.1719 -5.7018 -5.6971 -5.6540 -5.6479 -5.6392 -5.6381 -1.4525 -1.4272 0.2418 0.2440 0.2677 0.2929 6.0400 6.0403 6.6269 6.6271 6.7785 6.7794 7.5596 7.5877 7.9558 7.9859 8.0737 8.0800 10.1346 10.1359 10.1469 10.1480 10.2742 10.2770 14.5629 14.5643 14.6812 14.6816 14.7281 14.7291 16.9208 16.9445 k = 0.5011 0.4997 0.3952 ( 2754 PWs) bands (ev): -45.9692 -45.9692 -22.7263 -22.7257 -22.0790 -22.0788 -22.0746 -22.0738 -14.1703 -14.1703 -5.6889 -5.6838 -5.6493 -5.6428 -5.6340 -5.6331 -1.4668 -1.4438 0.2254 0.2277 0.2471 0.2696 6.0282 6.0284 6.6271 6.6274 6.7456 6.7463 7.5757 7.6013 7.9788 8.0052 8.0790 8.0857 10.1605 10.1622 10.1737 10.1749 10.2760 10.2792 14.5780 14.5792 14.6987 14.6991 14.7363 14.7372 16.9239 16.9485 k = 0.5011 0.4998 0.4076 ( 2756 PWs) bands (ev): -45.9691 -45.9691 -22.7266 -22.7260 -22.0790 -22.0789 -22.0753 -22.0745 -14.1688 -14.1688 -5.6776 -5.6722 -5.6446 -5.6378 -5.6293 -5.6286 -1.4795 -1.4589 0.2108 0.2132 0.2288 0.2486 6.0166 6.0167 6.6274 6.6276 6.7172 6.7179 7.5892 7.6119 8.0009 8.0230 8.0837 8.0909 10.1841 10.1862 10.1980 10.1994 10.2776 10.2813 14.5916 14.5927 14.7146 14.7150 14.7440 14.7448 16.9262 16.9510 k = 0.5011 0.4998 0.4200 ( 2763 PWs) bands (ev): -45.9691 -45.9691 -22.7268 -22.7264 -22.0791 -22.0790 -22.0758 -22.0752 -14.1675 -14.1675 -5.6681 -5.6626 -5.6399 -5.6330 -5.6249 -5.6245 -1.4905 -1.4725 0.1981 0.2004 0.2128 0.2299 6.0053 6.0054 6.6276 6.6278 6.6932 6.6937 7.6003 7.6200 8.0215 8.0390 8.0878 8.0956 10.2052 10.2077 10.2197 10.2212 10.2792 10.2834 14.6036 14.6045 14.7289 14.7292 14.7512 14.7519 16.9282 16.9523 k = 0.5012 0.4998 0.4325 ( 2766 PWs) bands (ev): -45.9691 -45.9691 -22.7271 -22.7267 -22.0792 -22.0791 -22.0762 -22.0757 -14.1663 -14.1663 -5.6604 -5.6553 -5.6350 -5.6284 -5.6211 -5.6209 -1.4998 -1.4844 0.1872 0.1894 0.1992 0.2135 5.9949 5.9950 6.6278 6.6280 6.6733 6.6738 7.6095 7.6260 8.0398 8.0527 8.0914 8.0999 10.2234 10.2263 10.2384 10.2402 10.2807 10.2855 14.6139 14.6146 14.7413 14.7415 14.7577 14.7583 16.9303 16.9526 k = 0.5012 0.4999 0.4449 ( 2772 PWs) bands (ev): -45.9691 -45.9691 -22.7272 -22.7269 -22.0793 -22.0793 -22.0765 -22.0761 -14.1654 -14.1654 -5.6544 -5.6500 -5.6301 -5.6244 -5.6178 -5.6177 -1.5072 -1.4946 0.1785 0.1803 0.1880 0.1996 5.9857 5.9857 6.6280 6.6281 6.6574 6.6577 7.6169 7.6303 8.0554 8.0637 8.0948 8.1038 10.2385 10.2419 10.2539 10.2558 10.2824 10.2878 14.6224 14.6230 14.7516 14.7517 14.7635 14.7639 16.9330 16.9514 k = 0.5012 0.4999 0.4573 ( 2790 PWs) bands (ev): -45.9691 -45.9691 -22.7274 -22.7272 -22.0795 -22.0795 -22.0768 -22.0764 -14.1646 -14.1646 -5.6499 -5.6465 -5.6256 -5.6212 -5.6150 -5.6148 -1.5128 -1.5031 0.1718 0.1732 0.1791 0.1881 5.9780 5.9780 6.6281 6.6282 6.6451 6.6453 7.6228 7.6331 8.0677 8.0721 8.0982 8.1070 10.2502 10.2539 10.2660 10.2678 10.2847 10.2902 14.6291 14.6296 14.7596 14.7597 14.7685 14.7688 16.9360 16.9485 k = 0.5013 0.4999 0.4698 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7274 -22.0797 -22.0797 -22.0769 -22.0767 -14.1641 -14.1641 -5.6467 -5.6444 -5.6221 -5.6190 -5.6127 -5.6126 -1.5165 -1.5097 0.1673 0.1681 0.1727 0.1792 5.9722 5.9722 6.6282 6.6283 6.6363 6.6364 7.6275 7.6346 8.0763 8.0779 8.1017 8.1093 10.2587 10.2621 10.2746 10.2757 10.2880 10.2925 14.6341 14.6344 14.7652 14.7653 14.7727 14.7728 16.9385 16.9441 k = 0.5013 0.5000 0.4822 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7275 -22.0797 -22.0797 -22.0769 -22.0768 -14.1637 -14.1637 -5.6446 -5.6433 -5.6196 -5.6179 -5.6110 -5.6110 -1.5183 -1.5144 0.1648 0.1650 0.1689 0.1729 5.9684 5.9684 6.6282 6.6283 6.6308 6.6309 7.6309 7.6350 8.0812 8.0815 8.1052 8.1101 10.2641 10.2664 10.2798 10.2801 10.2918 10.2944 14.6372 14.6374 14.7685 14.7686 14.7756 14.7756 16.9391 16.9400 k = 0.5013 0.5000 0.4946 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6435 -5.6432 -5.6182 -5.6178 -5.6102 -5.6102 -1.5182 -1.5172 0.1637 0.1637 0.1682 0.1692 5.9668 5.9668 6.6279 6.6280 6.6289 6.6289 7.6332 7.6342 8.0831 8.0831 8.1080 8.1093 10.2668 10.2674 10.2818 10.2818 10.2942 10.2948 14.6386 14.6386 14.7699 14.7699 14.7769 14.7769 16.9382 16.9382 k = 0.5013 0.5000 0.4946 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6435 -5.6432 -5.6182 -5.6178 -5.6102 -5.6102 -1.5182 -1.5172 0.1637 0.1637 0.1682 0.1692 5.9668 5.9668 6.6279 6.6280 6.6289 6.6289 7.6332 7.6342 8.0831 8.0831 8.1080 8.1093 10.2668 10.2674 10.2818 10.2818 10.2942 10.2948 14.6386 14.6386 14.7699 14.7699 14.7769 14.7769 16.9382 16.9382 k = 0.5000 0.4987 0.4973 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6433 -5.6433 -5.6180 -5.6180 -5.6102 -5.6102 -1.5178 -1.5178 0.1637 0.1637 0.1686 0.1686 5.9668 5.9668 6.6279 6.6279 6.6288 6.6288 7.6338 7.6338 8.0832 8.0832 8.1087 8.1087 10.2672 10.2672 10.2819 10.2819 10.2946 10.2946 14.6387 14.6387 14.7700 14.7700 14.7769 14.7769 16.9381 16.9383 k = 0.5000-0.0013-0.0013 ( 2762 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7004 -22.0645 -22.0645 -22.0274 -22.0274 -14.3053 -14.3053 -6.7480 -6.7480 -5.8139 -5.8139 -5.5596 -5.5596 -0.7521 -0.7521 1.1426 1.1426 1.2985 1.2985 6.4094 6.4094 7.6184 7.6184 7.6344 7.6344 8.1973 8.1973 8.2463 8.2463 8.5997 8.5997 8.6955 8.6955 9.3711 9.3711 9.4938 9.4938 12.8210 12.8210 14.0795 14.0795 14.1715 14.1715 14.7444 14.7444 k = 0.5000 0.0076 0.0075 ( 2756 PWs) bands (ev): -45.9711 -45.9711 -22.7004 -22.7004 -22.0646 -22.0645 -22.0274 -22.0274 -14.3052 -14.3052 -6.7472 -6.7472 -5.8138 -5.8138 -5.5600 -5.5599 -0.7523 -0.7522 1.1425 1.1425 1.2977 1.2980 6.4088 6.4094 7.6181 7.6188 7.6335 7.6343 8.1879 8.1912 8.2403 8.2405 8.6052 8.6058 8.7035 8.7039 9.3679 9.3686 9.4922 9.4923 12.8231 12.8232 14.0793 14.0797 14.1707 14.1718 14.7473 14.7482 k = 0.5001 0.0165 0.0164 ( 2752 PWs) bands (ev): -45.9711 -45.9711 -22.7005 -22.7004 -22.0646 -22.0645 -22.0275 -22.0275 -14.3048 -14.3048 -6.7450 -6.7449 -5.8133 -5.8133 -5.5611 -5.5610 -0.7529 -0.7527 1.1421 1.1422 1.2957 1.2963 6.4077 6.4088 7.6178 7.6196 7.6319 7.6333 8.1627 8.1695 8.2253 8.2261 8.6213 8.6222 8.7263 8.7270 9.3592 9.3606 9.4877 9.4878 12.8296 12.8297 14.0791 14.0799 14.1697 14.1717 14.7570 14.7587 k = 0.5001 0.0254 0.0253 ( 2754 PWs) bands (ev): -45.9711 -45.9711 -22.7006 -22.7005 -22.0647 -22.0645 -22.0277 -22.0277 -14.3043 -14.3043 -6.7412 -6.7412 -5.8126 -5.8126 -5.5629 -5.5627 -0.7538 -0.7536 1.1414 1.1415 1.2925 1.2935 6.4060 6.4077 7.6168 7.6203 7.6299 7.6314 8.1235 8.1331 8.2064 8.2077 8.6457 8.6466 8.7603 8.7612 9.3450 9.3471 9.4802 9.4804 12.8404 12.8406 14.0790 14.0802 14.1684 14.1714 14.7732 14.7757 k = 0.5002 0.0343 0.0342 ( 2752 PWs) bands (ev): -45.9710 -45.9710 -22.7008 -22.7006 -22.0648 -22.0646 -22.0280 -22.0280 -14.3035 -14.3035 -6.7360 -6.7359 -5.8117 -5.8117 -5.5654 -5.5651 -0.7551 -0.7549 1.1403 1.1404 1.2882 1.2895 6.4038 6.4060 7.6139 7.6201 7.6287 7.6292 8.0744 8.0863 8.1858 8.1872 8.6763 8.6770 8.8016 8.8024 9.3253 9.3282 9.4700 9.4703 12.8554 12.8556 14.0789 14.0805 14.1670 14.1707 14.7958 14.7990 k = 0.5002 0.0432 0.0431 ( 2756 PWs) bands (ev): -45.9710 -45.9710 -22.7010 -22.7008 -22.0650 -22.0647 -22.0283 -22.0283 -14.3024 -14.3024 -6.7293 -6.7291 -5.8104 -5.8104 -5.5686 -5.5682 -0.7569 -0.7567 1.1387 1.1389 1.2829 1.2845 6.4010 6.4039 7.6081 7.6173 7.6285 7.6287 8.0192 8.0334 8.1641 8.1655 8.7116 8.7120 8.8469 8.8475 9.3006 9.3041 9.4574 9.4577 12.8745 12.8747 14.0791 14.0810 14.1655 14.1700 14.8246 14.8284 k = 0.5003 0.0521 0.0519 ( 2756 PWs) bands (ev): -45.9710 -45.9710 -22.7013 -22.7010 -22.0651 -22.0648 -22.0288 -22.0288 -14.3012 -14.3012 -6.7210 -6.7209 -5.8089 -5.8089 -5.5723 -5.5719 -0.7591 -0.7590 1.1362 1.1365 1.2768 1.2787 6.3979 6.4012 7.5994 7.6109 7.6295 7.6297 7.9610 7.9774 8.1421 8.1433 8.7504 8.7505 8.8944 8.8945 9.2708 9.2750 9.4426 9.4429 12.8974 12.8977 14.0794 14.0817 14.1642 14.1693 14.8594 14.8636 k = 0.5003 0.0610 0.0608 ( 2753 PWs) bands (ev): -45.9710 -45.9710 -22.7015 -22.7012 -22.0653 -22.0649 -22.0293 -22.0293 -14.2997 -14.2997 -6.7114 -6.7112 -5.8071 -5.8071 -5.5766 -5.5762 -0.7618 -0.7618 1.1329 1.1333 1.2702 1.2721 6.3943 6.3981 7.5874 7.6013 7.6309 7.6310 7.9020 7.9208 8.1202 8.1212 8.7919 8.7919 8.9419 8.9424 9.2364 9.2415 9.4260 9.4263 12.9241 12.9244 14.0801 14.0827 14.1632 14.1687 14.8996 14.9042 k = 0.5004 0.0699 0.0697 ( 2753 PWs) bands (ev): -45.9710 -45.9710 -22.7019 -22.7015 -22.0655 -22.0650 -22.0299 -22.0298 -14.2981 -14.2980 -6.7003 -6.7001 -5.8050 -5.8050 -5.5815 -5.5810 -0.7653 -0.7651 1.1283 1.1287 1.2631 1.2651 6.3904 6.3947 7.5714 7.5881 7.6321 7.6325 7.8444 7.8657 8.0989 8.0997 8.8353 8.8356 8.9888 8.9903 9.1978 9.2039 9.4080 9.4082 12.9542 12.9546 14.0812 14.0841 14.1625 14.1684 14.9452 14.9501 k = 0.5004 0.0788 0.0786 ( 2751 PWs) bands (ev): -45.9709 -45.9709 -22.7022 -22.7018 -22.0657 -22.0652 -22.0305 -22.0305 -14.2962 -14.2962 -6.6878 -6.6875 -5.8027 -5.8027 -5.5868 -5.5862 -0.7695 -0.7691 1.1222 1.1227 1.2559 1.2577 6.3862 6.3909 7.5505 7.5696 7.6330 7.6337 7.7906 7.8142 8.0786 8.0791 8.8803 8.8808 9.0335 9.0370 9.1556 9.1636 9.3891 9.3893 12.9875 12.9880 14.0828 14.0859 14.1623 14.1684 14.9957 15.0007 k = 0.5005 0.0877 0.0875 ( 2754 PWs) bands (ev): -45.9709 -45.9709 -22.7026 -22.7021 -22.0659 -22.0654 -22.0313 -22.0312 -14.2941 -14.2941 -6.6739 -6.6736 -5.8001 -5.8001 -5.5925 -5.5919 -0.7744 -0.7737 1.1144 1.1148 1.2487 1.2503 6.3818 6.3869 7.5234 7.5440 7.6331 7.6341 7.7433 7.7683 8.0594 8.0597 8.9264 8.9273 9.0688 9.0779 9.1144 9.1281 9.3699 9.3699 13.0239 13.0245 14.0850 14.0883 14.1626 14.1690 15.0507 15.0559 k = 0.5005 0.0966 0.0963 ( 2754 PWs) bands (ev): -45.9709 -45.9709 -22.7031 -22.7025 -22.0662 -22.0655 -22.0321 -22.0320 -14.2918 -14.2918 -6.6586 -6.6583 -5.7973 -5.7973 -5.5986 -5.5979 -0.7801 -0.7790 1.1046 1.1048 1.2418 1.2428 6.3773 6.3827 7.4896 7.5099 7.6323 7.6336 7.7048 7.7293 8.0416 8.0416 8.9727 8.9744 9.0534 9.0543 9.1334 9.1393 9.3507 9.3510 13.0630 13.0637 14.0879 14.0914 14.1637 14.1702 15.1100 15.1153 k = 0.5006 0.1055 0.1052 ( 2748 PWs) bands (ev): -45.9708 -45.9708 -22.7035 -22.7029 -22.0664 -22.0657 -22.0329 -22.0329 -14.2894 -14.2893 -6.6421 -6.6417 -5.7942 -5.7942 -5.6049 -5.6042 -0.7867 -0.7852 1.0927 1.0927 1.2351 1.2354 6.3727 6.3783 7.4494 7.4676 7.6301 7.6318 7.6751 7.6973 8.0249 8.0251 8.9979 9.0007 9.0241 9.0277 9.1757 9.1776 9.3325 9.3331 13.1046 13.1053 14.0916 14.0952 14.1655 14.1721 15.1732 15.1785 k = 0.5006 0.1144 0.1141 ( 2746 PWs) bands (ev): -45.9708 -45.9708 -22.7040 -22.7033 -22.0667 -22.0660 -22.0338 -22.0338 -14.2867 -14.2867 -6.6242 -6.6238 -5.7909 -5.7909 -5.6115 -5.6107 -0.7943 -0.7922 1.0783 1.0787 1.2279 1.2286 6.3681 6.3739 7.4046 7.4198 7.6261 7.6283 7.6525 7.6714 8.0096 8.0101 8.9470 8.9485 9.0701 9.0703 9.2176 9.2176 9.3162 9.3176 13.1485 13.1492 14.0960 14.0998 14.1681 14.1747 15.2400 15.2453 k = 0.5007 0.1233 0.1230 ( 2748 PWs) bands (ev): -45.9708 -45.9708 -22.7045 -22.7038 -22.0670 -22.0662 -22.0348 -22.0348 -14.2839 -14.2839 -6.6051 -6.6047 -5.7874 -5.7874 -5.6182 -5.6174 -0.8028 -0.8001 1.0618 1.0627 1.2203 1.2221 6.3636 6.3694 7.3573 7.3693 7.6196 7.6218 7.6351 7.6503 7.9957 7.9965 8.8897 8.8921 9.1155 9.1160 9.2552 9.2576 9.3039 9.3069 13.1943 13.1951 14.1014 14.1052 14.1715 14.1782 15.3099 15.3152 k = 0.5007 0.1322 0.1319 ( 2748 PWs) bands (ev): -45.9707 -45.9707 -22.7051 -22.7044 -22.0673 -22.0665 -22.0359 -22.0358 -14.2810 -14.2809 -6.5848 -6.5843 -5.7837 -5.7837 -5.6249 -5.6241 -0.8123 -0.8089 1.0433 1.0446 1.2122 1.2153 6.3591 6.3649 7.3094 7.3185 7.6097 7.6108 7.6228 7.6333 7.9831 7.9841 8.8306 8.8334 9.1573 9.1582 9.2819 9.2875 9.3061 9.3122 13.2418 13.2427 14.1076 14.1116 14.1760 14.1826 15.3828 15.3881 k = 0.5008 0.1411 0.1408 ( 2744 PWs) bands (ev): -45.9707 -45.9707 -22.7056 -22.7049 -22.0676 -22.0668 -22.0369 -22.0369 -14.2778 -14.2778 -6.5633 -6.5628 -5.7798 -5.7797 -5.6317 -5.6308 -0.8229 -0.8188 1.0230 1.0248 1.2034 1.2080 6.3548 6.3605 7.2625 7.2688 7.5962 7.5968 7.6126 7.6193 7.9717 7.9729 8.7702 8.7732 9.1902 9.1916 9.2941 9.2963 9.3395 9.3421 13.2908 13.2918 14.1149 14.1189 14.1814 14.1880 15.4583 15.4634 k = 0.5008 0.1500 0.1496 ( 2748 PWs) bands (ev): -45.9706 -45.9706 -22.7063 -22.7055 -22.0680 -22.0671 -22.0381 -22.0381 -14.2746 -14.2746 -6.5407 -6.5401 -5.7756 -5.7756 -5.6384 -5.6375 -0.8345 -0.8296 1.0010 1.0034 1.1936 1.1998 6.3507 6.3562 7.2176 7.2215 7.5801 7.5820 7.6013 7.6062 7.9612 7.9626 8.7092 8.7122 9.2083 9.2098 9.3176 9.3186 9.3760 9.3772 13.3410 13.3421 14.1231 14.1272 14.1879 14.1943 15.5360 15.5411 k = 0.5009 0.1589 0.1585 ( 2746 PWs) bands (ev): -45.9706 -45.9706 -22.7069 -22.7061 -22.0683 -22.0674 -22.0393 -22.0393 -14.2712 -14.2712 -6.5171 -6.5164 -5.7714 -5.7713 -5.6450 -5.6440 -0.8472 -0.8414 0.9776 0.9805 1.1826 1.1904 6.3469 6.3520 7.1758 7.1773 7.5627 7.5667 7.5881 7.5922 7.9516 7.9531 8.6481 8.6509 9.2150 9.2164 9.3541 9.3548 9.4118 9.4123 13.3922 13.3933 14.1324 14.1365 14.1954 14.2018 15.6156 15.6206 k = 0.5009 0.1678 0.1674 ( 2748 PWs) bands (ev): -45.9705 -45.9705 -22.7076 -22.7067 -22.0686 -22.0677 -22.0405 -22.0405 -14.2677 -14.2677 -6.4924 -6.4917 -5.7669 -5.7668 -5.6513 -5.6504 -0.8609 -0.8543 0.9529 0.9563 1.1702 1.1796 6.3432 6.3478 7.1367 7.1375 7.5440 7.5506 7.5726 7.5766 7.9426 7.9443 8.5873 8.5900 9.2184 9.2195 9.3966 9.3974 9.4468 9.4468 13.4442 13.4453 14.1427 14.1468 14.2040 14.2103 15.6968 15.7017 k = 0.5010 0.1767 0.1763 ( 2748 PWs) bands (ev): -45.9705 -45.9705 -22.7082 -22.7074 -22.0690 -22.0681 -22.0418 -22.0418 -14.2641 -14.2641 -6.4668 -6.4660 -5.7623 -5.7622 -5.6574 -5.6564 -0.8757 -0.8681 0.9272 0.9310 1.1560 1.1672 6.3397 6.3438 7.1003 7.1034 7.5243 7.5337 7.5548 7.5588 7.9340 7.9359 8.5275 8.5299 9.2225 9.2234 9.4408 9.4418 9.4809 9.4811 13.4967 13.4979 14.1540 14.1581 14.2138 14.2200 15.7794 15.7842 k = 0.5010 0.1857 0.1852 ( 2748 PWs) bands (ev): -45.9704 -45.9704 -22.7089 -22.7080 -22.0694 -22.0684 -22.0431 -22.0431 -14.2605 -14.2604 -6.4403 -6.4394 -5.7576 -5.7575 -5.6631 -5.6621 -0.8916 -0.8830 0.9004 0.9047 1.1399 1.1529 6.3364 6.3398 7.0683 7.0738 7.5032 7.5156 7.5346 7.5388 7.9259 7.9278 8.4693 8.4714 9.2293 9.2300 9.4846 9.4860 9.5150 9.5153 13.5495 13.5507 14.1663 14.1704 14.2248 14.2308 15.8629 15.8676 k = 0.5011 0.1946 0.1940 ( 2750 PWs) bands (ev): -45.9704 -45.9704 -22.7096 -22.7087 -22.0698 -22.0688 -22.0445 -22.0444 -14.2567 -14.2567 -6.4130 -6.4120 -5.7527 -5.7526 -5.6685 -5.6675 -0.9085 -0.8989 0.8728 0.8775 1.1219 1.1366 6.3332 6.3358 7.0410 7.0491 7.4807 7.4961 7.5122 7.5166 7.9180 7.9200 8.4133 8.4150 9.2393 9.2398 9.5258 9.5276 9.5506 9.5508 13.6024 13.6037 14.1797 14.1837 14.2368 14.2427 15.9470 15.9516 k = 0.5011 0.2035 0.2029 ( 2746 PWs) bands (ev): -45.9703 -45.9703 -22.7103 -22.7094 -22.0701 -22.0691 -22.0458 -22.0458 -14.2529 -14.2528 -6.3849 -6.3839 -5.7478 -5.7476 -5.6734 -5.6724 -0.9263 -0.9157 0.8445 0.8496 1.1016 1.1182 6.3301 6.3319 7.0186 7.0293 7.4565 7.4749 7.4876 7.4920 7.9102 7.9123 8.3600 8.3614 9.2529 9.2533 9.5623 9.5644 9.5895 9.5897 13.6553 13.6567 14.1940 14.1980 14.2500 14.2558 16.0315 16.0360 k = 0.5011 0.2124 0.2118 ( 2748 PWs) bands (ev): -45.9703 -45.9703 -22.7111 -22.7102 -22.0705 -22.0695 -22.0472 -22.0471 -14.2490 -14.2490 -6.3562 -6.3550 -5.7428 -5.7426 -5.6779 -5.6768 -0.9451 -0.9334 0.8156 0.8211 1.0792 1.0975 6.3268 6.3278 7.0011 7.0147 7.4305 7.4516 7.4612 7.4652 7.9025 7.9047 8.3102 8.3112 9.2702 9.2705 9.5947 9.5969 9.6309 9.6312 13.7080 13.7093 14.2092 14.2132 14.2643 14.2699 16.1160 16.1204 k = 0.5012 0.2213 0.2207 ( 2746 PWs) bands (ev): -45.9702 -45.9702 -22.7118 -22.7109 -22.0709 -22.0699 -22.0486 -22.0485 -14.2451 -14.2450 -6.3268 -6.3256 -5.7377 -5.7374 -5.6818 -5.6807 -0.9647 -0.9520 0.7863 0.7922 1.0546 1.0746 6.3235 6.3236 6.9885 7.0052 7.4027 7.4256 7.4339 7.4363 7.8948 7.8971 8.2644 8.2651 9.2911 9.2913 9.6249 9.6272 9.6726 9.6731 13.7602 13.7616 14.2254 14.2293 14.2797 14.2852 16.2001 16.2044 k = 0.5012 0.2302 0.2296 ( 2747 PWs) bands (ev): -45.9702 -45.9702 -22.7126 -22.7116 -22.0713 -22.0703 -22.0500 -22.0499 -14.2411 -14.2411 -6.2969 -6.2956 -5.7326 -5.7323 -5.6851 -5.6839 -0.9852 -0.9714 0.7566 0.7628 1.0277 1.0495 6.3192 6.3199 6.9804 7.0007 7.3731 7.3962 7.4055 7.4064 7.8871 7.8894 8.2230 8.2235 9.3154 9.3155 9.6537 9.6561 9.7138 9.7144 13.8119 13.8133 14.2424 14.2462 14.2962 14.3014 16.2836 16.2878 k = 0.5013 0.2391 0.2384 ( 2741 PWs) bands (ev): -45.9701 -45.9701 -22.7133 -22.7123 -22.0717 -22.0706 -22.0514 -22.0513 -14.2371 -14.2371 -6.2666 -6.2652 -5.7275 -5.7271 -5.6878 -5.6866 -1.0064 -0.9916 0.7267 0.7332 0.9987 1.0221 6.3146 6.3159 6.9766 7.0007 7.3418 7.3641 7.3730 7.3786 7.8795 7.8817 8.1864 8.1868 9.3430 9.3430 9.6817 9.6842 9.7540 9.7547 13.8628 13.8643 14.2602 14.2639 14.3135 14.3186 16.3660 16.3701 k = 0.5013 0.2480 0.2473 ( 2741 PWs) bands (ev): -45.9701 -45.9701 -22.7141 -22.7131 -22.0721 -22.0710 -22.0528 -22.0527 -14.2331 -14.2331 -6.2359 -6.2344 -5.7225 -5.7220 -5.6899 -5.6885 -1.0283 -1.0125 0.6967 0.7034 0.9677 0.9926 6.3096 6.3115 6.9762 7.0047 7.3093 7.3302 7.3392 7.3505 7.8719 7.8739 8.1549 8.1552 9.3735 9.3736 9.7091 9.7117 9.7929 9.7937 13.9129 13.9144 14.2787 14.2824 14.3318 14.3367 16.4470 16.4509 k = 0.5014 0.2569 0.2562 ( 2740 PWs) bands (ev): -45.9700 -45.9700 -22.7148 -22.7138 -22.0724 -22.0714 -22.0542 -22.0541 -14.2292 -14.2292 -6.2049 -6.2033 -5.7177 -5.7170 -5.6912 -5.6897 -1.0508 -1.0340 0.6666 0.6736 0.9347 0.9611 6.3042 6.3066 6.9783 7.0117 7.2762 7.2949 7.3050 7.3229 7.8645 7.8661 8.1283 8.1287 9.4067 9.4069 9.7359 9.7385 9.8304 9.8313 13.9620 13.9635 14.2980 14.3015 14.3510 14.3556 16.5261 16.5299 k = 0.5014 0.2658 0.2651 ( 2746 PWs) bands (ev): -45.9700 -45.9700 -22.7156 -22.7146 -22.0729 -22.0718 -22.0556 -22.0555 -14.2252 -14.2252 -6.1737 -6.1721 -5.7131 -5.7123 -5.6916 -5.6900 -1.0739 -1.0561 0.6367 0.6438 0.9000 0.9277 6.2984 6.3011 6.9812 7.0197 7.2434 7.2587 7.2715 7.2973 7.8575 7.8585 8.1065 8.1069 9.4423 9.4426 9.7622 9.7649 9.8665 9.8674 14.0100 14.0115 14.3179 14.3213 14.3708 14.3752 16.6029 16.6066 k = 0.5015 0.2747 0.2740 ( 2749 PWs) bands (ev): -45.9699 -45.9699 -22.7164 -22.7154 -22.0733 -22.0722 -22.0570 -22.0569 -14.2213 -14.2213 -6.1425 -6.1407 -5.7089 -5.7079 -5.6911 -5.6894 -1.0973 -1.0787 0.6069 0.6142 0.8637 0.8926 6.2919 6.2948 6.9827 7.0255 7.2113 7.2219 7.2417 7.2759 7.8512 7.8513 8.0892 8.0897 9.4800 9.4804 9.7882 9.7910 9.9010 9.9020 14.0568 14.0583 14.3383 14.3416 14.3913 14.3955 16.6769 16.6804 k = 0.5015 0.2836 0.2828 ( 2747 PWs) bands (ev): -45.9698 -45.9698 -22.7171 -22.7161 -22.0736 -22.0726 -22.0584 -22.0583 -14.2175 -14.2175 -6.1112 -6.1094 -5.7052 -5.7041 -5.6895 -5.6876 -1.1212 -1.1017 0.5774 0.5848 0.8261 0.8561 6.2848 6.2878 6.9802 7.0245 7.1788 7.1849 7.2221 7.2613 7.8447 7.8459 8.0757 8.0763 9.5196 9.5200 9.8139 9.8167 9.9339 9.9350 14.1023 14.1038 14.3593 14.3625 14.4124 14.4163 16.7474 16.7508 k = 0.5016 0.2925 0.2917 ( 2750 PWs) bands (ev): -45.9698 -45.9698 -22.7178 -22.7169 -22.0740 -22.0730 -22.0598 -22.0597 -14.2137 -14.2136 -6.0800 -6.0782 -5.7020 -5.7008 -5.6867 -5.6849 -1.1453 -1.1251 0.5483 0.5558 0.7874 0.8183 6.2769 6.2799 6.9712 7.0123 7.1444 7.1478 7.2184 7.2560 7.8390 7.8417 8.0656 8.0662 9.5606 9.5611 9.8394 9.8422 9.9652 9.9663 14.1463 14.1477 14.3807 14.3838 14.4338 14.4376 16.8140 16.8172 k = 0.5016 0.3014 0.3006 ( 2754 PWs) bands (ev): -45.9697 -45.9697 -22.7186 -22.7177 -22.0744 -22.0734 -22.0611 -22.0610 -14.2099 -14.2099 -6.0491 -6.0472 -5.6991 -5.6980 -5.6830 -5.6813 -1.1695 -1.1487 0.5197 0.5272 0.7479 0.7795 6.2681 6.2710 6.9550 6.9895 7.1089 7.1109 7.2301 7.2610 7.8345 7.8390 8.0584 8.0591 9.6028 9.6035 9.8647 9.8675 9.9949 9.9961 14.1888 14.1901 14.4025 14.4054 14.4555 14.4591 16.8758 16.8788 k = 0.5017 0.3103 0.3095 ( 2748 PWs) bands (ev): -45.9697 -45.9697 -22.7193 -22.7184 -22.0747 -22.0738 -22.0624 -22.0623 -14.2063 -14.2063 -6.0184 -6.0165 -5.6963 -5.6953 -5.6788 -5.6772 -1.1938 -1.1724 0.4916 0.4992 0.7078 0.7400 6.2583 6.2609 6.9326 6.9598 7.0730 7.0744 7.2525 7.2751 7.8314 7.8380 8.0535 8.0542 9.6460 9.6467 9.8899 9.8926 10.0230 10.0242 14.2296 14.2309 14.4247 14.4274 14.4774 14.4808 16.9322 16.9350 k = 0.5017 0.3192 0.3184 ( 2746 PWs) bands (ev): -45.9696 -45.9696 -22.7199 -22.7191 -22.0750 -22.0741 -22.0637 -22.0636 -14.2027 -14.2027 -5.9882 -5.9862 -5.6934 -5.6924 -5.6742 -5.6728 -1.2181 -1.1962 0.4642 0.4718 0.6675 0.7000 6.2473 6.2497 6.9061 6.9271 7.0374 7.0384 7.2814 7.2963 7.8299 7.8388 8.0506 8.0513 9.6897 9.6905 9.9149 9.9176 10.0494 10.0508 14.2687 14.2698 14.4472 14.4497 14.4994 14.5025 16.9823 16.9850 k = 0.5018 0.3281 0.3272 ( 2746 PWs) bands (ev): -45.9696 -45.9696 -22.7206 -22.7197 -22.0754 -22.0745 -22.0649 -22.0648 -14.1992 -14.1992 -5.9584 -5.9565 -5.6903 -5.6893 -5.6696 -5.6682 -1.2422 -1.2200 0.4376 0.4451 0.6271 0.6599 6.2351 6.2372 6.8776 6.8936 7.0023 7.0031 7.3141 7.3222 7.8302 7.8416 8.0492 8.0499 9.7337 9.7346 9.9398 9.9424 10.0743 10.0757 14.3059 14.3069 14.4698 14.4721 14.5213 14.5242 17.0254 17.0278 k = 0.5018 0.3370 0.3361 ( 2748 PWs) bands (ev): -45.9695 -45.9695 -22.7213 -22.7204 -22.0757 -22.0749 -22.0661 -22.0660 -14.1959 -14.1959 -5.9293 -5.9274 -5.6869 -5.6859 -5.6649 -5.6636 -1.2660 -1.2437 0.4118 0.4192 0.5871 0.6198 6.2216 6.2234 6.8487 6.8609 6.9680 6.9687 7.3489 7.3510 7.8326 7.8466 8.0492 8.0498 9.7778 9.7788 9.9646 9.9671 10.0976 10.0991 14.3412 14.3421 14.4927 14.4948 14.5429 14.5456 17.0607 17.0630 k = 0.5019 0.3459 0.3450 ( 2748 PWs) bands (ev): -45.9695 -45.9695 -22.7219 -22.7211 -22.0760 -22.0752 -22.0673 -22.0671 -14.1927 -14.1927 -5.9010 -5.8991 -5.6833 -5.6822 -5.6603 -5.6590 -1.2895 -1.2670 0.3870 0.3942 0.5476 0.5801 6.2067 6.2082 6.8205 6.8298 6.9348 6.9353 7.3812 7.3843 7.8372 7.8539 8.0501 8.0508 9.8215 9.8227 9.9893 9.9917 10.1194 10.1210 14.3744 14.3752 14.5156 14.5175 14.5642 14.5667 17.0878 17.0899 k = 0.5019 0.3548 0.3539 ( 2746 PWs) bands (ev): -45.9694 -45.9694 -22.7225 -22.7217 -22.0763 -22.0755 -22.0684 -22.0682 -14.1896 -14.1896 -5.8734 -5.8717 -5.6794 -5.6782 -5.6558 -5.6545 -1.3125 -1.2901 0.3631 0.3701 0.5089 0.5410 6.1906 6.1918 6.7939 6.8010 6.9026 6.9031 7.4115 7.4191 7.8442 7.8636 8.0519 8.0525 9.8647 9.8660 10.0138 10.0161 10.1397 10.1413 14.4056 14.4062 14.5385 14.5402 14.5851 14.5874 17.1064 17.1084 k = 0.5020 0.3637 0.3628 ( 2749 PWs) bands (ev): -45.9694 -45.9694 -22.7231 -22.7223 -22.0766 -22.0759 -22.0695 -22.0693 -14.1866 -14.1866 -5.8469 -5.8453 -5.6754 -5.6740 -5.6513 -5.6501 -1.3348 -1.3127 0.3403 0.3471 0.4713 0.5027 6.1733 6.1742 6.7693 6.7746 6.8718 6.8722 7.4410 7.4525 7.8540 7.8757 8.0542 8.0549 9.9071 9.9085 10.0381 10.0403 10.1585 10.1602 14.4347 14.4350 14.5614 14.5628 14.6053 14.6074 17.1168 17.1187 k = 0.5020 0.3726 0.3717 ( 2745 PWs) bands (ev): -45.9694 -45.9694 -22.7236 -22.7229 -22.0768 -22.0762 -22.0704 -22.0702 -14.1838 -14.1838 -5.8214 -5.8199 -5.6712 -5.6696 -5.6471 -5.6459 -1.3564 -1.3346 0.3187 0.3251 0.4350 0.4656 6.1550 6.1557 6.7470 6.7510 6.8424 6.8428 7.4689 7.4836 7.8665 7.8901 8.0571 8.0578 9.9483 9.9499 10.0622 10.0642 10.1758 10.1777 14.4617 14.4618 14.5839 14.5851 14.6249 14.6268 17.1195 17.1214 k = 0.5021 0.3816 0.3805 ( 2750 PWs) bands (ev): -45.9693 -45.9693 -22.7241 -22.7235 -22.0771 -22.0766 -22.0714 -22.0711 -14.1811 -14.1811 -5.7971 -5.7959 -5.6669 -5.6651 -5.6430 -5.6418 -1.3771 -1.3559 0.2982 0.3044 0.4003 0.4299 6.1360 6.1365 6.7270 6.7300 6.8146 6.8149 7.4946 7.5117 7.8819 7.9068 8.0603 8.0610 9.9881 9.9899 10.0858 10.0877 10.1918 10.1938 14.4865 14.4865 14.6061 14.6070 14.6436 14.6454 17.1155 17.1176 k = 0.5021 0.3905 0.3894 ( 2750 PWs) bands (ev): -45.9693 -45.9693 -22.7246 -22.7240 -22.0774 -22.0769 -22.0722 -22.0720 -14.1787 -14.1787 -5.7741 -5.7731 -5.6626 -5.6606 -5.6391 -5.6379 -1.3969 -1.3764 0.2790 0.2848 0.3673 0.3957 6.1166 6.1170 6.7095 6.7117 6.7884 6.7887 7.5178 7.5364 7.8999 7.9253 8.0637 8.0645 10.0263 10.0282 10.1090 10.1108 10.2064 10.2085 14.5091 14.5093 14.6276 14.6283 14.6614 14.6630 17.1059 17.1084 k = 0.5021 0.3994 0.3983 ( 2748 PWs) bands (ev): -45.9693 -45.9693 -22.7250 -22.7245 -22.0776 -22.0772 -22.0730 -22.0728 -14.1763 -14.1763 -5.7525 -5.7519 -5.6583 -5.6560 -5.6353 -5.6341 -1.4155 -1.3959 0.2612 0.2666 0.3364 0.3633 6.0972 6.0974 6.6942 6.6958 6.7639 6.7642 7.5383 7.5577 7.9201 7.9453 8.0672 8.0682 10.0625 10.0647 10.1314 10.1331 10.2197 10.2220 14.5297 14.5301 14.6482 14.6488 14.6782 14.6796 17.0922 17.0952 k = 0.5022 0.4083 0.4072 ( 2746 PWs) bands (ev): -45.9692 -45.9692 -22.7254 -22.7249 -22.0778 -22.0775 -22.0737 -22.0734 -14.1742 -14.1742 -5.7325 -5.7323 -5.6541 -5.6514 -5.6318 -5.6306 -1.4329 -1.4144 0.2447 0.2497 0.3076 0.3328 6.0780 6.0782 6.6810 6.6821 6.7413 6.7415 7.5562 7.5755 7.9418 7.9660 8.0707 8.0719 10.0964 10.0989 10.1531 10.1547 10.2318 10.2342 14.5485 14.5489 14.6678 14.6682 14.6939 14.6952 17.0754 17.0790 k = 0.5022 0.4172 0.4161 ( 2748 PWs) bands (ev): -45.9692 -45.9692 -22.7258 -22.7253 -22.0781 -22.0778 -22.0744 -22.0741 -14.1723 -14.1723 -5.7144 -5.7141 -5.6500 -5.6469 -5.6285 -5.6273 -1.4490 -1.4317 0.2296 0.2342 0.2812 0.3046 6.0595 6.0596 6.6697 6.6705 6.7206 6.7208 7.5717 7.5902 7.9644 7.9869 8.0743 8.0758 10.1279 10.1308 10.1737 10.1753 10.2426 10.2452 14.5654 14.5659 14.6862 14.6864 14.7084 14.7095 17.0568 17.0611 k = 0.5023 0.4261 0.4249 ( 2754 PWs) bands (ev): -45.9692 -45.9692 -22.7262 -22.7257 -22.0784 -22.0782 -22.0750 -22.0747 -14.1705 -14.1705 -5.6984 -5.6975 -5.6460 -5.6424 -5.6254 -5.6242 -1.4636 -1.4477 0.2161 0.2202 0.2573 0.2786 6.0420 6.0420 6.6602 6.6608 6.7018 6.7020 7.5848 7.6021 7.9870 8.0072 8.0777 8.0796 10.1567 10.1599 10.1932 10.1947 10.2522 10.2551 14.5805 14.5810 14.7031 14.7032 14.7217 14.7226 17.0373 17.0423 k = 0.5023 0.4350 0.4338 ( 2754 PWs) bands (ev): -45.9691 -45.9691 -22.7265 -22.7261 -22.0786 -22.0784 -22.0755 -22.0751 -14.1689 -14.1689 -5.6844 -5.6829 -5.6420 -5.6380 -5.6225 -5.6214 -1.4767 -1.4622 0.2040 0.2076 0.2360 0.2551 6.0258 6.0258 6.6522 6.6526 6.6851 6.6853 7.5960 7.6116 8.0088 8.0261 8.0810 8.0836 10.1824 10.1861 10.2112 10.2127 10.2607 10.2638 14.5938 14.5943 14.7184 14.7184 14.7337 14.7344 17.0179 17.0231 k = 0.5024 0.4439 0.4427 ( 2758 PWs) bands (ev): -45.9691 -45.9691 -22.7267 -22.7264 -22.0788 -22.0787 -22.0759 -22.0756 -14.1675 -14.1675 -5.6726 -5.6705 -5.6380 -5.6337 -5.6199 -5.6189 -1.4881 -1.4753 0.1935 0.1965 0.2175 0.2342 6.0111 6.0111 6.6456 6.6459 6.6705 6.6706 7.6054 7.6192 8.0290 8.0430 8.0843 8.0877 10.2048 10.2090 10.2277 10.2293 10.2682 10.2715 14.6054 14.6059 14.7319 14.7319 14.7443 14.7448 16.9994 17.0039 k = 0.5024 0.4528 0.4516 ( 2770 PWs) bands (ev): -45.9691 -45.9691 -22.7270 -22.7267 -22.0790 -22.0790 -22.0762 -22.0760 -14.1664 -14.1664 -5.6630 -5.6605 -5.6339 -5.6294 -5.6176 -5.6166 -1.4978 -1.4868 0.1845 0.1870 0.2018 0.2161 5.9983 5.9983 6.6402 6.6404 6.6580 6.6581 7.6132 7.6249 8.0468 8.0571 8.0876 8.0922 10.2237 10.2282 10.2425 10.2441 10.2747 10.2782 14.6152 14.6157 14.7434 14.7435 14.7535 14.7539 16.9824 16.9854 k = 0.5025 0.4617 0.4605 ( 2782 PWs) bands (ev): -45.9691 -45.9691 -22.7272 -22.7270 -22.0793 -22.0793 -22.0765 -22.0763 -14.1654 -14.1654 -5.6557 -5.6531 -5.6297 -5.6254 -5.6154 -5.6147 -1.5057 -1.4965 0.1771 0.1790 0.1891 0.2007 5.9874 5.9874 6.6360 6.6361 6.6476 6.6477 7.6195 7.6292 8.0615 8.0678 8.0912 8.0972 10.2390 10.2435 10.2555 10.2569 10.2802 10.2838 14.6234 14.6238 14.7528 14.7530 14.7614 14.7616 16.9676 16.9687 k = 0.5025 0.4706 0.4693 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7275 -22.7273 -22.0795 -22.0795 -22.0768 -22.0766 -14.1646 -14.1646 -5.6504 -5.6481 -5.6255 -5.6220 -5.6136 -5.6131 -1.5117 -1.5045 0.1714 0.1726 0.1794 0.1883 5.9788 5.9788 6.6327 6.6328 6.6395 6.6396 7.6246 7.6322 8.0722 8.0750 8.0956 8.1023 10.2507 10.2547 10.2665 10.2674 10.2850 10.2885 14.6298 14.6301 14.7601 14.7603 14.7678 14.7679 16.9553 16.9555 k = 0.5026 0.4795 0.4782 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7275 -22.7274 -22.0797 -22.0797 -22.0769 -22.0767 -14.1641 -14.1641 -5.6467 -5.6451 -5.6219 -5.6195 -5.6120 -5.6117 -1.5158 -1.5107 0.1673 0.1678 0.1728 0.1788 5.9724 5.9724 6.6304 6.6304 6.6336 6.6336 7.6286 7.6339 8.0787 8.0795 8.1007 8.1067 10.2591 10.2621 10.2748 10.2752 10.2891 10.2921 14.6345 14.6347 14.7654 14.7656 14.7726 14.7726 16.9457 16.9463 k = 0.5026 0.4884 0.4871 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7275 -22.0797 -22.0797 -22.0769 -22.0768 -14.1637 -14.1637 -5.6445 -5.6435 -5.6195 -5.6181 -5.6108 -5.6107 -1.5180 -1.5149 0.1647 0.1648 0.1690 0.1724 5.9684 5.9684 6.6288 6.6289 6.6300 6.6301 7.6314 7.6346 8.0819 8.0820 8.1053 8.1092 10.2644 10.2663 10.2799 10.2800 10.2924 10.2943 14.6374 14.6375 14.7686 14.7687 14.7757 14.7757 16.9400 16.9410 k = 0.5027 0.4973 0.4960 ( 2800 PWs) bands (ev): -45.9691 -45.9691 -22.7276 -22.7276 -22.0798 -22.0798 -22.0769 -22.0769 -14.1636 -14.1636 -5.6435 -5.6432 -5.6182 -5.6178 -5.6102 -5.6102 -1.5182 -1.5172 0.1637 0.1637 0.1682 0.1692 5.9668 5.9668 6.6279 6.6280 6.6289 6.6289 7.6332 7.6342 8.0831 8.0831 8.1080 8.1093 10.2668 10.2674 10.2818 10.2818 10.2942 10.2948 14.6386 14.6386 14.7699 14.7699 14.7769 14.7769 16.9382 16.9398 Writing output data file BaTiO3.save init_run : 3.93s CPU 12.59s WALL ( 1 calls) electrons : 653.49s CPU 663.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 2.11s WALL ( 1 calls) Called by electrons: c_bands : 653.45s CPU 663.06s WALL ( 1 calls) v_of_rho : 0.32s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.30s CPU 0.64s WALL ( 1 calls) newd : 0.56s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 328 calls) cegterg : 633.09s CPU 639.96s WALL ( 1160 calls) Called by sum_band: Called by *egterg: h_psi : 214.71s CPU 226.50s WALL ( 21640 calls) s_psi : 25.57s CPU 25.99s WALL ( 21640 calls) g_psi : 0.50s CPU 0.55s WALL ( 20152 calls) cdiaghg : 299.28s CPU 294.37s WALL ( 20480 calls) cegterg:over : 49.01s CPU 46.75s WALL ( 20152 calls) cegterg:upda : 6.54s CPU 10.86s WALL ( 20152 calls) cegterg:last : 6.46s CPU 7.46s WALL ( 2525 calls) Called by h_psi: h_psi:vloc : 165.17s CPU 175.55s WALL ( 21640 calls) h_psi:vnl : 49.29s CPU 50.36s WALL ( 21640 calls) add_vuspsi : 15.41s CPU 19.06s WALL ( 21640 calls) General routines calbec : 33.81s CPU 31.13s WALL ( 21640 calls) fft : 0.27s CPU 1.67s WALL ( 19 calls) ffts : 0.03s CPU 0.61s WALL ( 4 calls) fftw : 154.17s CPU 160.31s WALL ( 1403860 calls) interpolate : 0.04s CPU 0.72s WALL ( 4 calls) davcio : 0.04s CPU 1.27s WALL ( 656 calls) Parallel routines fft_scatter : 110.93s CPU 115.13s WALL ( 1403883 calls) PWSCF : 11m38.78s CPU 12m49.21s WALL This run was terminated on: 15:58:18 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=