Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:14: 3 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe3S4.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 76 59 17 1421 963 158 Max 77 60 18 1422 976 159 Sum 2751 2125 629 51161 34871 5703 bravais-lattice index = 14 lattice parameter (alat) = 22.1268 a.u. unit-cell volume = 825.6920 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 22.126836 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.955325 celldm(5)= 0.955325 celldm(6)= 0.955325 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.955325 0.295558 0.000000 ) a(3) = ( 0.955325 0.144402 0.257880 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.232281 -1.894585 ) b(2) = ( 0.000000 3.383436 -1.894585 ) b(3) = ( 0.000000 0.000000 3.877769 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 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 and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0094340 -0.0304932 -0.0178734), wk = 0.0030864 k( 3) = ( 0.0188679 -0.0609864 -0.0357469), wk = 0.0030864 k( 4) = ( 0.0283019 -0.0914797 -0.0536203), wk = 0.0030864 k( 5) = ( 0.0377359 -0.1219729 -0.0714938), wk = 0.0030864 k( 6) = ( 0.0471698 -0.1524661 -0.0893672), wk = 0.0030864 k( 7) = ( 0.0566038 -0.1829593 -0.1072407), wk = 0.0030864 k( 8) = ( 0.0660377 -0.2134525 -0.1251141), wk = 0.0030864 k( 9) = ( 0.0754717 -0.2439457 -0.1429876), wk = 0.0030864 k( 10) = ( 0.0849057 -0.2744389 -0.1608610), wk = 0.0030864 k( 11) = ( 0.0943396 -0.3049321 -0.1787344), wk = 0.0030864 k( 12) = ( 0.1037736 -0.3354254 -0.1966079), wk = 0.0030864 k( 13) = ( 0.1132076 -0.3659186 -0.2144813), wk = 0.0030864 k( 14) = ( 0.1226415 -0.3964118 -0.2323548), wk = 0.0030864 k( 15) = ( 0.1320755 -0.4269050 -0.2502282), wk = 0.0030864 k( 16) = ( 0.1415094 -0.4573982 -0.2681016), wk = 0.0030864 k( 17) = ( 0.1509434 -0.4878915 -0.2859751), wk = 0.0030864 k( 18) = ( 0.1603774 -0.5183847 -0.3038485), wk = 0.0030864 k( 19) = ( 0.1698113 -0.5488779 -0.3217220), wk = 0.0030864 k( 20) = ( 0.1792453 -0.5793711 -0.3395954), wk = 0.0030864 k( 21) = ( 0.1886792 -0.6098643 -0.3574689), wk = 0.0030864 k( 22) = ( 0.1981132 -0.6403575 -0.3753423), wk = 0.0030864 k( 23) = ( 0.2075472 -0.6708507 -0.3932158), wk = 0.0030864 k( 24) = ( 0.2169811 -0.7013439 -0.4110892), wk = 0.0030864 k( 25) = ( 0.2264151 -0.7318372 -0.4289626), wk = 0.0030864 k( 26) = ( 0.2358491 -0.7623304 -0.4468361), wk = 0.0030864 k( 27) = ( 0.2452830 -0.7928236 -0.4647095), wk = 0.0030864 k( 28) = ( 0.2547170 -0.8233168 -0.4825830), wk = 0.0030864 k( 29) = ( 0.2641509 -0.8538100 -0.5004564), wk = 0.0030864 k( 30) = ( 0.2735849 -0.8843033 -0.5183299), wk = 0.0030864 k( 31) = ( 0.2830189 -0.9147965 -0.5362033), wk = 0.0030864 k( 32) = ( 0.2924528 -0.9452897 -0.5540768), wk = 0.0030864 k( 33) = ( 0.3018868 -0.9757829 -0.5719502), wk = 0.0030864 k( 34) = ( 0.3113207 -1.0062761 -0.5898236), wk = 0.0030864 k( 35) = ( 0.3207547 -1.0367693 -0.6076971), wk = 0.0030864 k( 36) = ( 0.3301887 -1.0672625 -0.6255705), wk = 0.0030864 k( 37) = ( 0.3396226 -1.0977558 -0.6434440), wk = 0.0030864 k( 38) = ( 0.3490566 -1.1282490 -0.6613174), wk = 0.0030864 k( 39) = ( 0.3584906 -1.1587422 -0.6791909), wk = 0.0030864 k( 40) = ( 0.3679245 -1.1892354 -0.6970643), wk = 0.0030864 k( 41) = ( 0.3773585 -1.2197286 -0.7149377), wk = 0.0030864 k( 42) = ( 0.3867925 -1.2502218 -0.7328112), wk = 0.0030864 k( 43) = ( 0.3962264 -1.2807151 -0.7506846), wk = 0.0030864 k( 44) = ( 0.4056604 -1.3112083 -0.7685581), wk = 0.0030864 k( 45) = ( 0.4150943 -1.3417015 -0.7864315), wk = 0.0030864 k( 46) = ( 0.4245283 -1.3721947 -0.8043050), wk = 0.0030864 k( 47) = ( 0.4339623 -1.4026879 -0.8221784), wk = 0.0030864 k( 48) = ( 0.4433962 -1.4331811 -0.8400519), wk = 0.0030864 k( 49) = ( 0.4528302 -1.4636743 -0.8579253), wk = 0.0030864 k( 50) = ( 0.4622641 -1.4941676 -0.8757987), wk = 0.0030864 k( 51) = ( 0.4716981 -1.5246608 -0.8936722), wk = 0.0030864 k( 52) = ( 0.4811321 -1.5551540 -0.9115456), wk = 0.0030864 k( 53) = ( 0.4905660 -1.5856472 -0.9294191), wk = 0.0030864 k( 54) = ( 0.5000000 -1.6161404 -0.9472925), wk = 0.0030864 k( 55) = ( 0.5000000 -1.6161404 -0.9472925), wk = 0.0030864 k( 56) = ( 0.5000000 -1.5973915 -0.9792794), wk = 0.0030864 k( 57) = ( 0.5000000 -1.5786426 -1.0112662), wk = 0.0030864 k( 58) = ( 0.5000000 -1.5598936 -1.0432531), wk = 0.0030864 k( 59) = ( 0.5000000 -1.5411447 -1.0752399), wk = 0.0030864 k( 60) = ( 0.5000000 -1.5223958 -1.1072267), wk = 0.0030864 k( 61) = ( 0.5000000 -1.5036469 -1.1392135), wk = 0.0030864 k( 62) = ( 0.5000000 -1.4848979 -1.1712004), wk = 0.0030864 k( 63) = ( 0.5000000 -1.4661490 -1.2031872), wk = 0.0030864 k( 64) = ( 0.5000000 -1.4474001 -1.2351741), wk = 0.0030864 k( 65) = ( 0.5000000 -1.4286512 -1.2671609), wk = 0.0030864 k( 66) = ( 0.5000000 -1.4099023 -1.2991477), wk = 0.0030864 k( 67) = ( 0.5000000 -1.3911534 -1.3311345), wk = 0.0030864 k( 68) = ( 0.5000000 -1.3724044 -1.3631214), wk = 0.0030864 k( 69) = ( 0.5000000 -1.3536555 -1.3951082), wk = 0.0030864 k( 70) = ( 0.5000000 -1.3349066 -1.4270951), wk = 0.0030864 k( 71) = ( 0.5000000 -1.3161577 -1.4590819), wk = 0.0030864 k( 72) = ( 0.5000000 -1.2974087 -1.4910688), wk = 0.0030864 k( 73) = ( 0.5000000 -1.2786598 -1.5230556), wk = 0.0030864 k( 74) = ( 0.5000000 -1.2599109 -1.5550424), wk = 0.0030864 k( 75) = ( 0.5000000 -1.2411620 -1.5870292), wk = 0.0030864 k( 76) = ( 0.5000000 -1.2224130 -1.6190161), wk = 0.0030864 k( 77) = ( 0.5000000 -1.2036641 -1.6510029), wk = 0.0030864 k( 78) = ( 0.5000000 -1.1849152 -1.6829898), wk = 0.0030864 k( 79) = ( 0.5000000 -1.1661663 -1.7149766), wk = 0.0030864 k( 80) = ( 0.5000000 -1.1474174 -1.7469634), wk = 0.0030864 k( 81) = ( 0.5000000 -1.1286684 -1.7789503), wk = 0.0030864 k( 82) = ( 0.5000000 -1.1099195 -1.8109371), wk = 0.0030864 k( 83) = ( 0.5000000 -1.0911706 -1.8429240), wk = 0.0030864 k( 84) = ( 0.5000000 -1.0724217 -1.8749108), wk = 0.0030864 k( 85) = ( 0.5000000 -1.0536727 -1.9068976), wk = 0.0030864 k( 86) = ( 0.5000000 -1.0349238 -1.9388845), wk = 0.0030864 k( 87) = ( 0.8282171 -0.9853121 -1.8502856), wk = 0.0030864 k( 88) = ( 0.8226541 -0.9673309 -1.8181740), wk = 0.0030864 k( 89) = ( 0.8170911 -0.9493498 -1.7860624), wk = 0.0030864 k( 90) = ( 0.8115281 -0.9313686 -1.7539508), wk = 0.0030864 k( 91) = ( 0.8059650 -0.9133874 -1.7218391), wk = 0.0030864 k( 92) = ( 0.8004020 -0.8954062 -1.6897275), wk = 0.0030864 k( 93) = ( 0.7948390 -0.8774250 -1.6576159), wk = 0.0030864 k( 94) = ( 0.7892761 -0.8594438 -1.6255043), wk = 0.0030864 k( 95) = ( 0.7837131 -0.8414627 -1.5933927), wk = 0.0030864 k( 96) = ( 0.7781501 -0.8234815 -1.5612811), wk = 0.0030864 k( 97) = ( 0.7725871 -0.8055003 -1.5291695), wk = 0.0030864 k( 98) = ( 0.7670240 -0.7875191 -1.4970579), wk = 0.0030864 k( 99) = ( 0.7614610 -0.7695379 -1.4649463), wk = 0.0030864 k( 100) = ( 0.7558980 -0.7515568 -1.4328347), wk = 0.0030864 k( 101) = ( 0.7503350 -0.7335756 -1.4007230), wk = 0.0030864 k( 102) = ( 0.7447720 -0.7155944 -1.3686114), wk = 0.0030864 k( 103) = ( 0.7392090 -0.6976132 -1.3364998), wk = 0.0030864 k( 104) = ( 0.7336460 -0.6796320 -1.3043882), wk = 0.0030864 k( 105) = ( 0.7280830 -0.6616508 -1.2722766), wk = 0.0030864 k( 106) = ( 0.7225200 -0.6436697 -1.2401650), wk = 0.0030864 k( 107) = ( 0.7169570 -0.6256885 -1.2080534), wk = 0.0030864 k( 108) = ( 0.7113940 -0.6077073 -1.1759418), wk = 0.0030864 k( 109) = ( 0.7058310 -0.5897261 -1.1438302), wk = 0.0030864 k( 110) = ( 0.7002680 -0.5717449 -1.1117186), wk = 0.0030864 k( 111) = ( 0.6947050 -0.5537637 -1.0796069), wk = 0.0030864 k( 112) = ( 0.6891420 -0.5357826 -1.0474953), wk = 0.0030864 k( 113) = ( 0.6835790 -0.5178014 -1.0153837), wk = 0.0030864 k( 114) = ( 0.6780160 -0.4998202 -0.9832721), wk = 0.0030864 k( 115) = ( 0.6724530 -0.4818390 -0.9511605), wk = 0.0030864 k( 116) = ( 0.6668900 -0.4638578 -0.9190489), wk = 0.0030864 k( 117) = ( 0.6613270 -0.4458767 -0.8869373), wk = 0.0030864 k( 118) = ( 0.6557640 -0.4278955 -0.8548257), wk = 0.0030864 k( 119) = ( 0.6502010 -0.4099143 -0.8227141), wk = 0.0030864 k( 120) = ( 0.6446380 -0.3919331 -0.7906025), wk = 0.0030864 k( 121) = ( 0.6390750 -0.3739519 -0.7584908), wk = 0.0030864 k( 122) = ( 0.6335120 -0.3559707 -0.7263792), wk = 0.0030864 k( 123) = ( 0.6279490 -0.3379896 -0.6942676), wk = 0.0030864 k( 124) = ( 0.6223860 -0.3200084 -0.6621560), wk = 0.0030864 k( 125) = ( 0.6168230 -0.3020272 -0.6300444), wk = 0.0030864 k( 126) = ( 0.6112600 -0.2840460 -0.5979328), wk = 0.0030864 k( 127) = ( 0.6056970 -0.2660649 -0.5658212), wk = 0.0030864 k( 128) = ( 0.6001340 -0.2480837 -0.5337096), wk = 0.0030864 k( 129) = ( 0.5945710 -0.2301025 -0.5015980), wk = 0.0030864 k( 130) = ( 0.5890080 -0.2121213 -0.4694864), wk = 0.0030864 k( 131) = ( 0.5834450 -0.1941401 -0.4373747), wk = 0.0030864 k( 132) = ( 0.5778820 -0.1761589 -0.4052631), wk = 0.0030864 k( 133) = ( 0.5723190 -0.1581778 -0.3731515), wk = 0.0030864 k( 134) = ( 0.5667560 -0.1401966 -0.3410399), wk = 0.0030864 k( 135) = ( 0.5611930 -0.1222154 -0.3089283), wk = 0.0030864 k( 136) = ( 0.5556300 -0.1042342 -0.2768167), wk = 0.0030864 k( 137) = ( 0.5500670 -0.0862530 -0.2447051), wk = 0.0030864 k( 138) = ( 0.5445040 -0.0682719 -0.2125935), wk = 0.0030864 k( 139) = ( 0.5389410 -0.0502907 -0.1804819), wk = 0.0030864 k( 140) = ( 0.5333780 -0.0323095 -0.1483703), wk = 0.0030864 k( 141) = ( 0.5278150 -0.0143283 -0.1162586), wk = 0.0030864 k( 142) = ( 0.5222520 0.0036529 -0.0841470), wk = 0.0030864 k( 143) = ( 0.5166890 0.0216341 -0.0520354), wk = 0.0030864 k( 144) = ( 0.5111260 0.0396152 -0.0199238), wk = 0.0030864 k( 145) = ( 0.5055630 0.0575964 0.0121878), wk = 0.0030864 k( 146) = ( 0.5000000 0.0755776 0.0442994), wk = 0.0030864 k( 147) = ( 0.5000000 0.0755776 0.0442994), wk = 0.0030864 k( 148) = ( 0.4642857 0.0701792 0.0411352), wk = 0.0030864 k( 149) = ( 0.4285714 0.0647808 0.0379709), wk = 0.0030864 k( 150) = ( 0.3928571 0.0593824 0.0348067), wk = 0.0030864 k( 151) = ( 0.3571429 0.0539840 0.0316424), wk = 0.0030864 k( 152) = ( 0.3214286 0.0485856 0.0284782), wk = 0.0030864 k( 153) = ( 0.2857143 0.0431872 0.0253140), wk = 0.0030864 k( 154) = ( 0.2500000 0.0377888 0.0221497), wk = 0.0030864 k( 155) = ( 0.2142857 0.0323904 0.0189855), wk = 0.0030864 k( 156) = ( 0.1785714 0.0269920 0.0158212), wk = 0.0030864 k( 157) = ( 0.1428571 0.0215936 0.0126570), wk = 0.0030864 k( 158) = ( 0.1071429 0.0161952 0.0094927), wk = 0.0030864 k( 159) = ( 0.0714286 0.0107968 0.0063285), wk = 0.0030864 k( 160) = ( 0.0357143 0.0053984 0.0031642), wk = 0.0030864 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0055064 -0.0177983 -0.0317850), wk = 0.0030864 k( 164) = ( 0.0110128 -0.0355966 -0.0635700), wk = 0.0030864 k( 165) = ( 0.0165192 -0.0533949 -0.0953550), wk = 0.0030864 k( 166) = ( 0.0220257 -0.0711932 -0.1271400), wk = 0.0030864 k( 167) = ( 0.0275321 -0.0889914 -0.1589250), wk = 0.0030864 k( 168) = ( 0.0330385 -0.1067897 -0.1907100), wk = 0.0030864 k( 169) = ( 0.0385449 -0.1245880 -0.2224949), wk = 0.0030864 k( 170) = ( 0.0440513 -0.1423863 -0.2542799), wk = 0.0030864 k( 171) = ( 0.0495578 -0.1601846 -0.2860649), wk = 0.0030864 k( 172) = ( 0.0550642 -0.1779829 -0.3178499), wk = 0.0030864 k( 173) = ( 0.0605706 -0.1957812 -0.3496349), wk = 0.0030864 k( 174) = ( 0.0660770 -0.2135795 -0.3814199), wk = 0.0030864 k( 175) = ( 0.0715834 -0.2313777 -0.4132049), wk = 0.0030864 k( 176) = ( 0.0770899 -0.2491760 -0.4449899), wk = 0.0030864 k( 177) = ( 0.0825963 -0.2669743 -0.4767748), wk = 0.0030864 k( 178) = ( 0.0881027 -0.2847726 -0.5085599), wk = 0.0030864 k( 179) = ( 0.0936091 -0.3025709 -0.5403449), wk = 0.0030864 k( 180) = ( 0.0991155 -0.3203692 -0.5721299), wk = 0.0030864 k( 181) = ( 0.1046219 -0.3381675 -0.6039148), wk = 0.0030864 k( 182) = ( 0.1101283 -0.3559658 -0.6356998), wk = 0.0030864 k( 183) = ( 0.1156348 -0.3737641 -0.6674848), wk = 0.0030864 k( 184) = ( 0.1211412 -0.3915623 -0.6992698), wk = 0.0030864 k( 185) = ( 0.1266476 -0.4093606 -0.7310548), wk = 0.0030864 k( 186) = ( 0.1321540 -0.4271589 -0.7628398), wk = 0.0030864 k( 187) = ( 0.1376604 -0.4449572 -0.7946248), wk = 0.0030864 k( 188) = ( 0.1431669 -0.4627555 -0.8264098), wk = 0.0030864 k( 189) = ( 0.1486733 -0.4805538 -0.8581947), wk = 0.0030864 k( 190) = ( 0.1541797 -0.4983521 -0.8899797), wk = 0.0030864 k( 191) = ( 0.1596861 -0.5161504 -0.9217648), wk = 0.0030864 k( 192) = ( 0.1651925 -0.5339486 -0.9535498), wk = 0.0030864 k( 193) = ( 0.1706989 -0.5517469 -0.9853347), wk = 0.0030864 k( 194) = ( 0.1762054 -0.5695452 -1.0171197), wk = 0.0030864 k( 195) = ( 0.1817118 -0.5873435 -1.0489047), wk = 0.0030864 k( 196) = ( 0.1872182 -0.6051418 -1.0806897), wk = 0.0030864 k( 197) = ( 0.1927246 -0.6229401 -1.1124747), wk = 0.0030864 k( 198) = ( 0.1982310 -0.6407384 -1.1442597), wk = 0.0030864 k( 199) = ( 0.2037374 -0.6585367 -1.1760447), wk = 0.0030864 k( 200) = ( 0.2092439 -0.6763350 -1.2078297), wk = 0.0030864 k( 201) = ( 0.2147503 -0.6941332 -1.2396146), wk = 0.0030864 k( 202) = ( 0.2202567 -0.7119315 -1.2713996), wk = 0.0030864 k( 203) = ( 0.2257631 -0.7297298 -1.3031846), wk = 0.0030864 k( 204) = ( 0.2312695 -0.7475281 -1.3349696), wk = 0.0030864 k( 205) = ( 0.2367760 -0.7653264 -1.3667546), wk = 0.0030864 k( 206) = ( 0.2422824 -0.7831247 -1.3985396), wk = 0.0030864 k( 207) = ( 0.2477888 -0.8009230 -1.4303246), wk = 0.0030864 k( 208) = ( 0.2532952 -0.8187213 -1.4621096), wk = 0.0030864 k( 209) = ( 0.2588016 -0.8365195 -1.4938946), wk = 0.0030864 k( 210) = ( 0.2643080 -0.8543178 -1.5256796), wk = 0.0030864 k( 211) = ( 0.2698145 -0.8721161 -1.5574646), wk = 0.0030864 k( 212) = ( 0.2753209 -0.8899144 -1.5892496), wk = 0.0030864 k( 213) = ( 0.2808273 -0.9077127 -1.6210346), wk = 0.0030864 k( 214) = ( 0.2863337 -0.9255110 -1.6528195), wk = 0.0030864 k( 215) = ( 0.2918401 -0.9433093 -1.6846045), wk = 0.0030864 k( 216) = ( 0.2973465 -0.9611076 -1.7163895), wk = 0.0030864 k( 217) = ( 0.3028530 -0.9789059 -1.7481745), wk = 0.0030864 k( 218) = ( 0.3083594 -0.9967041 -1.7799595), wk = 0.0030864 k( 219) = ( 0.3138658 -1.0145024 -1.8117445), wk = 0.0030864 k( 220) = ( 0.3193722 -1.0323007 -1.8435295), wk = 0.0030864 k( 221) = ( 0.3248786 -1.0500990 -1.8753145), wk = 0.0030864 k( 222) = ( 0.3303851 -1.0678973 -1.9070995), wk = 0.0030864 k( 223) = ( 0.3358915 -1.0856956 -1.9388845), wk = 0.0030864 k( 224) = ( 0.6641085 -1.0101180 -1.8945850), wk = 0.0030864 k( 225) = ( 0.6586382 -0.9739281 -1.8945850), wk = 0.0030864 k( 226) = ( 0.6531680 -0.9377383 -1.8945850), wk = 0.0030864 k( 227) = ( 0.6476977 -0.9015484 -1.8945850), wk = 0.0030864 k( 228) = ( 0.6422274 -0.8653585 -1.8945850), wk = 0.0030864 k( 229) = ( 0.6367571 -0.8291687 -1.8945850), wk = 0.0030864 k( 230) = ( 0.6312868 -0.7929788 -1.8945850), wk = 0.0030864 k( 231) = ( 0.6258165 -0.7567890 -1.8945850), wk = 0.0030864 k( 232) = ( 0.6203462 -0.7205991 -1.8945850), wk = 0.0030864 k( 233) = ( 0.6148760 -0.6844093 -1.8945850), wk = 0.0030864 k( 234) = ( 0.6094057 -0.6482195 -1.8945850), wk = 0.0030864 k( 235) = ( 0.6039354 -0.6120296 -1.8945850), wk = 0.0030864 k( 236) = ( 0.5984651 -0.5758398 -1.8945850), wk = 0.0030864 k( 237) = ( 0.5929948 -0.5396499 -1.8945850), wk = 0.0030864 k( 238) = ( 0.5875246 -0.5034600 -1.8945850), wk = 0.0030864 k( 239) = ( 0.5820543 -0.4672702 -1.8945850), wk = 0.0030864 k( 240) = ( 0.5765840 -0.4310803 -1.8945850), wk = 0.0030864 k( 241) = ( 0.5711137 -0.3948905 -1.8945850), wk = 0.0030864 k( 242) = ( 0.5656434 -0.3587006 -1.8945850), wk = 0.0030864 k( 243) = ( 0.5601731 -0.3225108 -1.8945850), wk = 0.0030864 k( 244) = ( 0.5547028 -0.2863209 -1.8945850), wk = 0.0030864 k( 245) = ( 0.5492326 -0.2501311 -1.8945850), wk = 0.0030864 k( 246) = ( 0.5437623 -0.2139412 -1.8945850), wk = 0.0030864 k( 247) = ( 0.5382920 -0.1777514 -1.8945850), wk = 0.0030864 k( 248) = ( 0.5328217 -0.1415615 -1.8945850), wk = 0.0030864 k( 249) = ( 0.5273514 -0.1053717 -1.8945850), wk = 0.0030864 k( 250) = ( 0.5218811 -0.0691818 -1.8945850), wk = 0.0030864 k( 251) = ( 0.5164108 -0.0329919 -1.8945850), wk = 0.0030864 k( 252) = ( 0.5109406 0.0031979 -1.8945850), wk = 0.0030864 k( 253) = ( 0.5054703 0.0393878 -1.8945850), wk = 0.0030864 k( 254) = ( 0.5000000 0.0755776 -1.8945850), wk = 0.0030864 k( 255) = ( 0.5000000 0.0755776 -1.8945850), wk = 0.0030864 k( 256) = ( 0.5328217 0.0805388 -1.8857252), wk = 0.0030864 k( 257) = ( 0.5656434 0.0854999 -1.8768652), wk = 0.0030864 k( 258) = ( 0.5984651 0.0904611 -1.8680054), wk = 0.0030864 k( 259) = ( 0.6312868 0.0954223 -1.8591455), wk = 0.0030864 k( 260) = ( 0.6641085 0.1003835 -1.8502856), wk = 0.0030864 k( 261) = ( 0.6641085 0.1003835 -1.8502856), wk = 0.0030864 k( 262) = ( 0.6609526 0.0999064 -1.8138513), wk = 0.0030864 k( 263) = ( 0.6577967 0.0994294 -1.7774170), wk = 0.0030864 k( 264) = ( 0.6546407 0.0989523 -1.7409826), wk = 0.0030864 k( 265) = ( 0.6514848 0.0984753 -1.7045483), wk = 0.0030864 k( 266) = ( 0.6483289 0.0979983 -1.6681140), wk = 0.0030864 k( 267) = ( 0.6451729 0.0975212 -1.6316797), wk = 0.0030864 k( 268) = ( 0.6420170 0.0970442 -1.5952453), wk = 0.0030864 k( 269) = ( 0.6388611 0.0965672 -1.5588110), wk = 0.0030864 k( 270) = ( 0.6357051 0.0960901 -1.5223767), wk = 0.0030864 k( 271) = ( 0.6325492 0.0956131 -1.4859423), wk = 0.0030864 k( 272) = ( 0.6293933 0.0951361 -1.4495080), wk = 0.0030864 k( 273) = ( 0.6262373 0.0946590 -1.4130737), wk = 0.0030864 k( 274) = ( 0.6230814 0.0941820 -1.3766393), wk = 0.0030864 k( 275) = ( 0.6199255 0.0937050 -1.3402050), wk = 0.0030864 k( 276) = ( 0.6167695 0.0932279 -1.3037707), wk = 0.0030864 k( 277) = ( 0.6136136 0.0927509 -1.2673364), wk = 0.0030864 k( 278) = ( 0.6104577 0.0922738 -1.2309020), wk = 0.0030864 k( 279) = ( 0.6073017 0.0917968 -1.1944677), wk = 0.0030864 k( 280) = ( 0.6041458 0.0913198 -1.1580334), wk = 0.0030864 k( 281) = ( 0.6009899 0.0908427 -1.1215991), wk = 0.0030864 k( 282) = ( 0.5978339 0.0903657 -1.0851647), wk = 0.0030864 k( 283) = ( 0.5946780 0.0898887 -1.0487304), wk = 0.0030864 k( 284) = ( 0.5915221 0.0894116 -1.0122961), wk = 0.0030864 k( 285) = ( 0.5883661 0.0889346 -0.9758617), wk = 0.0030864 k( 286) = ( 0.5852102 0.0884576 -0.9394274), wk = 0.0030864 k( 287) = ( 0.5820543 0.0879805 -0.9029931), wk = 0.0030864 k( 288) = ( 0.5788983 0.0875035 -0.8665587), wk = 0.0030864 k( 289) = ( 0.5757424 0.0870265 -0.8301245), wk = 0.0030864 k( 290) = ( 0.5725865 0.0865494 -0.7936901), wk = 0.0030864 k( 291) = ( 0.5694305 0.0860724 -0.7572558), wk = 0.0030864 k( 292) = ( 0.5662746 0.0855953 -0.7208215), wk = 0.0030864 k( 293) = ( 0.5631187 0.0851183 -0.6843871), wk = 0.0030864 k( 294) = ( 0.5599627 0.0846413 -0.6479528), wk = 0.0030864 k( 295) = ( 0.5568068 0.0841642 -0.6115185), wk = 0.0030864 k( 296) = ( 0.5536509 0.0836872 -0.5750842), wk = 0.0030864 k( 297) = ( 0.5504949 0.0832102 -0.5386498), wk = 0.0030864 k( 298) = ( 0.5473390 0.0827331 -0.5022155), wk = 0.0030864 k( 299) = ( 0.5441831 0.0822561 -0.4657812), wk = 0.0030864 k( 300) = ( 0.5410271 0.0817791 -0.4293468), wk = 0.0030864 k( 301) = ( 0.5378712 0.0813020 -0.3929125), wk = 0.0030864 k( 302) = ( 0.5347153 0.0808250 -0.3564782), wk = 0.0030864 k( 303) = ( 0.5315593 0.0803480 -0.3200439), wk = 0.0030864 k( 304) = ( 0.5284034 0.0798709 -0.2836095), wk = 0.0030864 k( 305) = ( 0.5252475 0.0793939 -0.2471752), wk = 0.0030864 k( 306) = ( 0.5220915 0.0789168 -0.2107409), wk = 0.0030864 k( 307) = ( 0.5189356 0.0784398 -0.1743065), wk = 0.0030864 k( 308) = ( 0.5157797 0.0779628 -0.1378722), wk = 0.0030864 k( 309) = ( 0.5126237 0.0774857 -0.1014379), wk = 0.0030864 k( 310) = ( 0.5094678 0.0770087 -0.0650036), wk = 0.0030864 k( 311) = ( 0.5063119 0.0765317 -0.0285692), wk = 0.0030864 k( 312) = ( 0.5031559 0.0760546 0.0078651), wk = 0.0030864 k( 313) = ( 0.5000000 0.0755776 0.0442994), wk = 0.0030864 k( 314) = ( 0.5000000 -1.6161404 -0.9472925), wk = 0.0030864 k( 315) = ( 0.5328217 -1.6085827 -0.9428626), wk = 0.0030864 k( 316) = ( 0.5656434 -1.6010249 -0.9384326), wk = 0.0030864 k( 317) = ( 0.5984651 -1.5934672 -0.9340027), wk = 0.0030864 k( 318) = ( 0.6312868 -1.5859094 -0.9295727), wk = 0.0030864 k( 319) = ( 0.6641085 -1.5783516 -0.9251428), wk = 0.0030864 k( 320) = ( 0.6969302 -1.5707939 -0.9207129), wk = 0.0030864 k( 321) = ( 0.7297519 -1.5632361 -0.9162829), wk = 0.0030864 k( 322) = ( 0.7625736 -1.5556783 -0.9118530), wk = 0.0030864 k( 323) = ( 0.7953953 -1.5481206 -0.9074230), wk = 0.0030864 k( 324) = ( 0.8282171 -1.5405628 -0.9029931), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0030864 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0030864 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0377359 -0.0000000 0.0000000), wk = 0.0030864 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0030864 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0030864 k( 8) = ( 0.0660377 -0.0000000 0.0000000), wk = 0.0030864 k( 9) = ( 0.0754717 -0.0000000 0.0000000), wk = 0.0030864 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0030864 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0030864 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0030864 k( 13) = ( 0.1132076 -0.0000000 0.0000000), wk = 0.0030864 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0030864 k( 15) = ( 0.1320755 -0.0000000 0.0000000), wk = 0.0030864 k( 16) = ( 0.1415094 -0.0000000 0.0000000), wk = 0.0030864 k( 17) = ( 0.1509434 -0.0000000 0.0000000), wk = 0.0030864 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0030864 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0030864 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0030864 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0030864 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0030864 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0030864 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0030864 k( 25) = ( 0.2264151 -0.0000000 0.0000000), wk = 0.0030864 k( 26) = ( 0.2358491 -0.0000000 0.0000000), wk = 0.0030864 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0030864 k( 28) = ( 0.2547170 -0.0000000 0.0000000), wk = 0.0030864 k( 29) = ( 0.2641509 -0.0000000 0.0000000), wk = 0.0030864 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0030864 k( 31) = ( 0.2830189 -0.0000000 0.0000000), wk = 0.0030864 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0030864 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0030864 k( 34) = ( 0.3113207 -0.0000000 0.0000000), wk = 0.0030864 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0030864 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0030864 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0030864 k( 38) = ( 0.3490566 0.0000000 0.0000000), wk = 0.0030864 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0030864 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0030864 k( 41) = ( 0.3773585 -0.0000000 0.0000000), wk = 0.0030864 k( 42) = ( 0.3867925 -0.0000000 0.0000000), wk = 0.0030864 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0030864 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0030864 k( 46) = ( 0.4245283 -0.0000000 0.0000000), wk = 0.0030864 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0030864 k( 48) = ( 0.4433962 -0.0000000 0.0000000), wk = 0.0030864 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0030864 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0030864 k( 51) = ( 0.4716981 -0.0000000 0.0000000), wk = 0.0030864 k( 52) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0030864 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0030864 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 56) = ( 0.5000000 0.0055414 -0.0055414), wk = 0.0030864 k( 57) = ( 0.5000000 0.0110828 -0.0110828), wk = 0.0030864 k( 58) = ( 0.5000000 0.0166242 -0.0166242), wk = 0.0030864 k( 59) = ( 0.5000000 0.0221655 -0.0221655), wk = 0.0030864 k( 60) = ( 0.5000000 0.0277069 -0.0277069), wk = 0.0030864 k( 61) = ( 0.5000000 0.0332483 -0.0332483), wk = 0.0030864 k( 62) = ( 0.5000000 0.0387897 -0.0387897), wk = 0.0030864 k( 63) = ( 0.5000000 0.0443311 -0.0443311), wk = 0.0030864 k( 64) = ( 0.5000000 0.0498725 -0.0498725), wk = 0.0030864 k( 65) = ( 0.5000000 0.0554138 -0.0554138), wk = 0.0030864 k( 66) = ( 0.5000000 0.0609552 -0.0609552), wk = 0.0030864 k( 67) = ( 0.5000000 0.0664966 -0.0664966), wk = 0.0030864 k( 68) = ( 0.5000000 0.0720380 -0.0720380), wk = 0.0030864 k( 69) = ( 0.5000000 0.0775794 -0.0775794), wk = 0.0030864 k( 70) = ( 0.5000000 0.0831208 -0.0831208), wk = 0.0030864 k( 71) = ( 0.5000000 0.0886622 -0.0886622), wk = 0.0030864 k( 72) = ( 0.5000000 0.0942035 -0.0942035), wk = 0.0030864 k( 73) = ( 0.5000000 0.0997449 -0.0997449), wk = 0.0030864 k( 74) = ( 0.5000000 0.1052863 -0.1052863), wk = 0.0030864 k( 75) = ( 0.5000000 0.1108277 -0.1108277), wk = 0.0030864 k( 76) = ( 0.5000000 0.1163691 -0.1163691), wk = 0.0030864 k( 77) = ( 0.5000000 0.1219105 -0.1219105), wk = 0.0030864 k( 78) = ( 0.5000000 0.1274519 -0.1274519), wk = 0.0030864 k( 79) = ( 0.5000000 0.1329933 -0.1329933), wk = 0.0030864 k( 80) = ( 0.5000000 0.1385346 -0.1385346), wk = 0.0030864 k( 81) = ( 0.5000000 0.1440760 -0.1440760), wk = 0.0030864 k( 82) = ( 0.5000000 0.1496174 -0.1496174), wk = 0.0030864 k( 83) = ( 0.5000000 0.1551588 -0.1551588), wk = 0.0030864 k( 84) = ( 0.5000000 0.1607002 -0.1607002), wk = 0.0030864 k( 85) = ( 0.5000000 0.1662416 -0.1662416), wk = 0.0030864 k( 86) = ( 0.5000000 0.1717829 -0.1717829), wk = 0.0030864 k( 87) = ( 0.8282171 0.5000000 0.1717829), wk = 0.0030864 k( 88) = ( 0.8226541 0.5000000 0.1773459), wk = 0.0030864 k( 89) = ( 0.8170911 0.5000000 0.1829089), wk = 0.0030864 k( 90) = ( 0.8115281 0.5000000 0.1884719), wk = 0.0030864 k( 91) = ( 0.8059650 0.5000000 0.1940350), wk = 0.0030864 k( 92) = ( 0.8004020 0.5000000 0.1995979), wk = 0.0030864 k( 93) = ( 0.7948390 0.5000000 0.2051610), wk = 0.0030864 k( 94) = ( 0.7892761 0.5000000 0.2107240), wk = 0.0030864 k( 95) = ( 0.7837131 0.5000000 0.2162870), wk = 0.0030864 k( 96) = ( 0.7781501 0.5000000 0.2218499), wk = 0.0030864 k( 97) = ( 0.7725871 0.5000000 0.2274130), wk = 0.0030864 k( 98) = ( 0.7670240 0.5000000 0.2329760), wk = 0.0030864 k( 99) = ( 0.7614610 0.5000000 0.2385389), wk = 0.0030864 k( 100) = ( 0.7558980 0.5000000 0.2441020), wk = 0.0030864 k( 101) = ( 0.7503350 0.5000000 0.2496650), wk = 0.0030864 k( 102) = ( 0.7447720 0.5000000 0.2552280), wk = 0.0030864 k( 103) = ( 0.7392090 0.5000000 0.2607910), wk = 0.0030864 k( 104) = ( 0.7336460 0.5000000 0.2663540), wk = 0.0030864 k( 105) = ( 0.7280830 0.5000000 0.2719170), wk = 0.0030864 k( 106) = ( 0.7225200 0.5000000 0.2774800), wk = 0.0030864 k( 107) = ( 0.7169570 0.5000000 0.2830430), wk = 0.0030864 k( 108) = ( 0.7113940 0.5000000 0.2886060), wk = 0.0030864 k( 109) = ( 0.7058310 0.5000000 0.2941690), wk = 0.0030864 k( 110) = ( 0.7002680 0.5000000 0.2997320), wk = 0.0030864 k( 111) = ( 0.6947050 0.5000000 0.3052950), wk = 0.0030864 k( 112) = ( 0.6891420 0.5000000 0.3108580), wk = 0.0030864 k( 113) = ( 0.6835790 0.5000000 0.3164210), wk = 0.0030864 k( 114) = ( 0.6780160 0.5000000 0.3219840), wk = 0.0030864 k( 115) = ( 0.6724530 0.5000000 0.3275470), wk = 0.0030864 k( 116) = ( 0.6668900 0.5000000 0.3331100), wk = 0.0030864 k( 117) = ( 0.6613270 0.5000000 0.3386730), wk = 0.0030864 k( 118) = ( 0.6557640 0.5000000 0.3442360), wk = 0.0030864 k( 119) = ( 0.6502010 0.5000000 0.3497990), wk = 0.0030864 k( 120) = ( 0.6446380 0.5000000 0.3553620), wk = 0.0030864 k( 121) = ( 0.6390750 0.5000000 0.3609250), wk = 0.0030864 k( 122) = ( 0.6335120 0.5000000 0.3664880), wk = 0.0030864 k( 123) = ( 0.6279490 0.5000000 0.3720510), wk = 0.0030864 k( 124) = ( 0.6223860 0.5000000 0.3776140), wk = 0.0030864 k( 125) = ( 0.6168230 0.5000000 0.3831770), wk = 0.0030864 k( 126) = ( 0.6112600 0.5000000 0.3887400), wk = 0.0030864 k( 127) = ( 0.6056970 0.5000000 0.3943030), wk = 0.0030864 k( 128) = ( 0.6001340 0.5000000 0.3998660), wk = 0.0030864 k( 129) = ( 0.5945710 0.5000000 0.4054290), wk = 0.0030864 k( 130) = ( 0.5890080 0.5000000 0.4109920), wk = 0.0030864 k( 131) = ( 0.5834450 0.5000000 0.4165550), wk = 0.0030864 k( 132) = ( 0.5778820 0.5000000 0.4221180), wk = 0.0030864 k( 133) = ( 0.5723190 0.5000000 0.4276810), wk = 0.0030864 k( 134) = ( 0.5667560 0.5000000 0.4332440), wk = 0.0030864 k( 135) = ( 0.5611930 0.5000000 0.4388070), wk = 0.0030864 k( 136) = ( 0.5556300 0.5000000 0.4443700), wk = 0.0030864 k( 137) = ( 0.5500670 0.5000000 0.4499330), wk = 0.0030864 k( 138) = ( 0.5445040 0.5000000 0.4554960), wk = 0.0030864 k( 139) = ( 0.5389410 0.5000000 0.4610590), wk = 0.0030864 k( 140) = ( 0.5333780 0.5000000 0.4666220), wk = 0.0030864 k( 141) = ( 0.5278150 0.5000000 0.4721850), wk = 0.0030864 k( 142) = ( 0.5222520 0.5000000 0.4777480), wk = 0.0030864 k( 143) = ( 0.5166890 0.5000000 0.4833110), wk = 0.0030864 k( 144) = ( 0.5111260 0.5000000 0.4888740), wk = 0.0030864 k( 145) = ( 0.5055630 0.5000000 0.4944370), wk = 0.0030864 k( 146) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 148) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030864 k( 149) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030864 k( 150) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030864 k( 151) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030864 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030864 k( 153) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030864 k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 155) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030864 k( 156) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030864 k( 157) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030864 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030864 k( 159) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030864 k( 160) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030864 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0055064 -0.0000000 -0.0055064), wk = 0.0030864 k( 164) = ( 0.0110128 -0.0000000 -0.0110128), wk = 0.0030864 k( 165) = ( 0.0165192 -0.0000000 -0.0165192), wk = 0.0030864 k( 166) = ( 0.0220257 0.0000000 -0.0220257), wk = 0.0030864 k( 167) = ( 0.0275321 0.0000000 -0.0275321), wk = 0.0030864 k( 168) = ( 0.0330385 -0.0000000 -0.0330385), wk = 0.0030864 k( 169) = ( 0.0385449 0.0000000 -0.0385449), wk = 0.0030864 k( 170) = ( 0.0440513 0.0000000 -0.0440513), wk = 0.0030864 k( 171) = ( 0.0495578 -0.0000000 -0.0495578), wk = 0.0030864 k( 172) = ( 0.0550642 0.0000000 -0.0550642), wk = 0.0030864 k( 173) = ( 0.0605706 0.0000000 -0.0605706), wk = 0.0030864 k( 174) = ( 0.0660770 0.0000000 -0.0660770), wk = 0.0030864 k( 175) = ( 0.0715834 -0.0000000 -0.0715834), wk = 0.0030864 k( 176) = ( 0.0770899 -0.0000000 -0.0770898), wk = 0.0030864 k( 177) = ( 0.0825963 0.0000000 -0.0825963), wk = 0.0030864 k( 178) = ( 0.0881027 0.0000000 -0.0881027), wk = 0.0030864 k( 179) = ( 0.0936091 -0.0000000 -0.0936091), wk = 0.0030864 k( 180) = ( 0.0991155 -0.0000000 -0.0991155), wk = 0.0030864 k( 181) = ( 0.1046219 0.0000000 -0.1046219), wk = 0.0030864 k( 182) = ( 0.1101283 0.0000000 -0.1101283), wk = 0.0030864 k( 183) = ( 0.1156348 -0.0000000 -0.1156348), wk = 0.0030864 k( 184) = ( 0.1211412 -0.0000000 -0.1211412), wk = 0.0030864 k( 185) = ( 0.1266476 0.0000000 -0.1266476), wk = 0.0030864 k( 186) = ( 0.1321540 0.0000000 -0.1321540), wk = 0.0030864 k( 187) = ( 0.1376604 -0.0000000 -0.1376604), wk = 0.0030864 k( 188) = ( 0.1431669 -0.0000000 -0.1431669), wk = 0.0030864 k( 189) = ( 0.1486733 0.0000000 -0.1486733), wk = 0.0030864 k( 190) = ( 0.1541797 -0.0000000 -0.1541797), wk = 0.0030864 k( 191) = ( 0.1596861 0.0000000 -0.1596861), wk = 0.0030864 k( 192) = ( 0.1651925 -0.0000000 -0.1651925), wk = 0.0030864 k( 193) = ( 0.1706989 -0.0000000 -0.1706989), wk = 0.0030864 k( 194) = ( 0.1762054 0.0000000 -0.1762054), wk = 0.0030864 k( 195) = ( 0.1817118 -0.0000000 -0.1817118), wk = 0.0030864 k( 196) = ( 0.1872182 -0.0000000 -0.1872182), wk = 0.0030864 k( 197) = ( 0.1927246 0.0000000 -0.1927246), wk = 0.0030864 k( 198) = ( 0.1982310 -0.0000000 -0.1982310), wk = 0.0030864 k( 199) = ( 0.2037374 0.0000000 -0.2037375), wk = 0.0030864 k( 200) = ( 0.2092439 -0.0000000 -0.2092439), wk = 0.0030864 k( 201) = ( 0.2147503 -0.0000000 -0.2147503), wk = 0.0030864 k( 202) = ( 0.2202567 0.0000000 -0.2202567), wk = 0.0030864 k( 203) = ( 0.2257631 0.0000000 -0.2257631), wk = 0.0030864 k( 204) = ( 0.2312695 -0.0000000 -0.2312695), wk = 0.0030864 k( 205) = ( 0.2367760 -0.0000000 -0.2367760), wk = 0.0030864 k( 206) = ( 0.2422824 -0.0000000 -0.2422824), wk = 0.0030864 k( 207) = ( 0.2477888 -0.0000000 -0.2477888), wk = 0.0030864 k( 208) = ( 0.2532952 0.0000000 -0.2532952), wk = 0.0030864 k( 209) = ( 0.2588016 -0.0000000 -0.2588016), wk = 0.0030864 k( 210) = ( 0.2643080 0.0000000 -0.2643080), wk = 0.0030864 k( 211) = ( 0.2698145 -0.0000000 -0.2698145), wk = 0.0030864 k( 212) = ( 0.2753209 -0.0000000 -0.2753209), wk = 0.0030864 k( 213) = ( 0.2808273 -0.0000000 -0.2808273), wk = 0.0030864 k( 214) = ( 0.2863337 0.0000000 -0.2863337), wk = 0.0030864 k( 215) = ( 0.2918401 -0.0000000 -0.2918401), wk = 0.0030864 k( 216) = ( 0.2973465 0.0000000 -0.2973465), wk = 0.0030864 k( 217) = ( 0.3028530 0.0000000 -0.3028530), wk = 0.0030864 k( 218) = ( 0.3083594 -0.0000000 -0.3083594), wk = 0.0030864 k( 219) = ( 0.3138658 -0.0000000 -0.3138658), wk = 0.0030864 k( 220) = ( 0.3193722 0.0000000 -0.3193722), wk = 0.0030864 k( 221) = ( 0.3248786 0.0000000 -0.3248786), wk = 0.0030864 k( 222) = ( 0.3303851 0.0000000 -0.3303851), wk = 0.0030864 k( 223) = ( 0.3358915 -0.0000000 -0.3358915), wk = 0.0030864 k( 224) = ( 0.6641085 0.3358915 -0.0000000), wk = 0.0030864 k( 225) = ( 0.6586382 0.3413618 0.0000000), wk = 0.0030864 k( 226) = ( 0.6531680 0.3468320 0.0000000), wk = 0.0030864 k( 227) = ( 0.6476977 0.3523023 0.0000000), wk = 0.0030864 k( 228) = ( 0.6422274 0.3577726 -0.0000000), wk = 0.0030864 k( 229) = ( 0.6367571 0.3632429 -0.0000000), wk = 0.0030864 k( 230) = ( 0.6312868 0.3687132 0.0000000), wk = 0.0030864 k( 231) = ( 0.6258165 0.3741835 -0.0000000), wk = 0.0030864 k( 232) = ( 0.6203462 0.3796538 0.0000000), wk = 0.0030864 k( 233) = ( 0.6148760 0.3851240 0.0000000), wk = 0.0030864 k( 234) = ( 0.6094057 0.3905943 -0.0000000), wk = 0.0030864 k( 235) = ( 0.6039354 0.3960646 0.0000000), wk = 0.0030864 k( 236) = ( 0.5984651 0.4015349 -0.0000000), wk = 0.0030864 k( 237) = ( 0.5929948 0.4070052 0.0000000), wk = 0.0030864 k( 238) = ( 0.5875246 0.4124755 -0.0000000), wk = 0.0030864 k( 239) = ( 0.5820543 0.4179457 -0.0000000), wk = 0.0030864 k( 240) = ( 0.5765840 0.4234160 0.0000000), wk = 0.0030864 k( 241) = ( 0.5711137 0.4288863 0.0000000), wk = 0.0030864 k( 242) = ( 0.5656434 0.4343566 0.0000000), wk = 0.0030864 k( 243) = ( 0.5601731 0.4398269 0.0000000), wk = 0.0030864 k( 244) = ( 0.5547028 0.4452972 -0.0000000), wk = 0.0030864 k( 245) = ( 0.5492326 0.4507674 0.0000000), wk = 0.0030864 k( 246) = ( 0.5437623 0.4562377 0.0000000), wk = 0.0030864 k( 247) = ( 0.5382920 0.4617080 -0.0000000), wk = 0.0030864 k( 248) = ( 0.5328217 0.4671783 -0.0000000), wk = 0.0030864 k( 249) = ( 0.5273514 0.4726486 -0.0000000), wk = 0.0030864 k( 250) = ( 0.5218811 0.4781189 -0.0000000), wk = 0.0030864 k( 251) = ( 0.5164108 0.4835892 -0.0000000), wk = 0.0030864 k( 252) = ( 0.5109406 0.4890594 0.0000000), wk = 0.0030864 k( 253) = ( 0.5054703 0.4945297 0.0000000), wk = 0.0030864 k( 254) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 255) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 256) = ( 0.5328217 0.5328217 0.0343566), wk = 0.0030864 k( 257) = ( 0.5656434 0.5656434 0.0687132), wk = 0.0030864 k( 258) = ( 0.5984651 0.5984651 0.1030698), wk = 0.0030864 k( 259) = ( 0.6312868 0.6312868 0.1374263), wk = 0.0030864 k( 260) = ( 0.6641085 0.6641085 0.1717829), wk = 0.0030864 k( 261) = ( 0.6641085 0.6641085 0.1717829), wk = 0.0030864 k( 262) = ( 0.6609526 0.6609526 0.1780948), wk = 0.0030864 k( 263) = ( 0.6577967 0.6577967 0.1844067), wk = 0.0030864 k( 264) = ( 0.6546407 0.6546407 0.1907185), wk = 0.0030864 k( 265) = ( 0.6514848 0.6514848 0.1970304), wk = 0.0030864 k( 266) = ( 0.6483289 0.6483289 0.2033423), wk = 0.0030864 k( 267) = ( 0.6451729 0.6451729 0.2096541), wk = 0.0030864 k( 268) = ( 0.6420170 0.6420170 0.2159660), wk = 0.0030864 k( 269) = ( 0.6388611 0.6388611 0.2222779), wk = 0.0030864 k( 270) = ( 0.6357051 0.6357051 0.2285897), wk = 0.0030864 k( 271) = ( 0.6325492 0.6325492 0.2349016), wk = 0.0030864 k( 272) = ( 0.6293933 0.6293933 0.2412135), wk = 0.0030864 k( 273) = ( 0.6262373 0.6262373 0.2475253), wk = 0.0030864 k( 274) = ( 0.6230814 0.6230814 0.2538372), wk = 0.0030864 k( 275) = ( 0.6199255 0.6199255 0.2601491), wk = 0.0030864 k( 276) = ( 0.6167695 0.6167695 0.2664609), wk = 0.0030864 k( 277) = ( 0.6136136 0.6136136 0.2727728), wk = 0.0030864 k( 278) = ( 0.6104577 0.6104577 0.2790847), wk = 0.0030864 k( 279) = ( 0.6073017 0.6073017 0.2853965), wk = 0.0030864 k( 280) = ( 0.6041458 0.6041458 0.2917084), wk = 0.0030864 k( 281) = ( 0.6009899 0.6009899 0.2980203), wk = 0.0030864 k( 282) = ( 0.5978339 0.5978339 0.3043321), wk = 0.0030864 k( 283) = ( 0.5946780 0.5946780 0.3106440), wk = 0.0030864 k( 284) = ( 0.5915221 0.5915221 0.3169559), wk = 0.0030864 k( 285) = ( 0.5883661 0.5883661 0.3232677), wk = 0.0030864 k( 286) = ( 0.5852102 0.5852102 0.3295796), wk = 0.0030864 k( 287) = ( 0.5820543 0.5820543 0.3358915), wk = 0.0030864 k( 288) = ( 0.5788983 0.5788983 0.3422033), wk = 0.0030864 k( 289) = ( 0.5757424 0.5757424 0.3485152), wk = 0.0030864 k( 290) = ( 0.5725865 0.5725865 0.3548271), wk = 0.0030864 k( 291) = ( 0.5694305 0.5694305 0.3611389), wk = 0.0030864 k( 292) = ( 0.5662746 0.5662746 0.3674508), wk = 0.0030864 k( 293) = ( 0.5631187 0.5631187 0.3737627), wk = 0.0030864 k( 294) = ( 0.5599627 0.5599627 0.3800745), wk = 0.0030864 k( 295) = ( 0.5568068 0.5568068 0.3863864), wk = 0.0030864 k( 296) = ( 0.5536509 0.5536509 0.3926983), wk = 0.0030864 k( 297) = ( 0.5504949 0.5504949 0.3990101), wk = 0.0030864 k( 298) = ( 0.5473390 0.5473390 0.4053220), wk = 0.0030864 k( 299) = ( 0.5441831 0.5441831 0.4116339), wk = 0.0030864 k( 300) = ( 0.5410271 0.5410271 0.4179457), wk = 0.0030864 k( 301) = ( 0.5378712 0.5378712 0.4242576), wk = 0.0030864 k( 302) = ( 0.5347153 0.5347153 0.4305695), wk = 0.0030864 k( 303) = ( 0.5315593 0.5315593 0.4368813), wk = 0.0030864 k( 304) = ( 0.5284034 0.5284034 0.4431932), wk = 0.0030864 k( 305) = ( 0.5252475 0.5252475 0.4495051), wk = 0.0030864 k( 306) = ( 0.5220915 0.5220915 0.4558169), wk = 0.0030864 k( 307) = ( 0.5189356 0.5189356 0.4621288), wk = 0.0030864 k( 308) = ( 0.5157797 0.5157797 0.4684407), wk = 0.0030864 k( 309) = ( 0.5126237 0.5126237 0.4747525), wk = 0.0030864 k( 310) = ( 0.5094678 0.5094678 0.4810644), wk = 0.0030864 k( 311) = ( 0.5063119 0.5063119 0.4873763), wk = 0.0030864 k( 312) = ( 0.5031559 0.5031559 0.4936881), wk = 0.0030864 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 315) = ( 0.5328217 0.0335891 0.0335892), wk = 0.0030864 k( 316) = ( 0.5656434 0.0671783 0.0671783), wk = 0.0030864 k( 317) = ( 0.5984651 0.1007674 0.1007674), wk = 0.0030864 k( 318) = ( 0.6312868 0.1343566 0.1343566), wk = 0.0030864 k( 319) = ( 0.6641085 0.1679457 0.1679457), wk = 0.0030864 k( 320) = ( 0.6969302 0.2015349 0.2015349), wk = 0.0030864 k( 321) = ( 0.7297519 0.2351240 0.2351240), wk = 0.0030864 k( 322) = ( 0.7625736 0.2687132 0.2687132), wk = 0.0030864 k( 323) = ( 0.7953953 0.3023023 0.3023023), wk = 0.0030864 k( 324) = ( 0.8282171 0.3358915 0.3358915), wk = 0.0030864 Dense grid: 51161 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 34871 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 260, 58) NL pseudopotentials 0.47 Mb ( 130, 238) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.01 Mb ( 1422) G-vector shells 0.01 Mb ( 1173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 260, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.42 Mb ( 238, 2, 58) The potential is recalculated from file : ./Fe3S4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.7 secs Computing kpt #: 4 total cpu time spent up to now is 13.2 secs Computing kpt #: 5 total cpu time spent up to now is 15.6 secs Computing kpt #: 6 total cpu time spent up to now is 18.2 secs Computing kpt #: 7 total cpu time spent up to now is 20.6 secs Computing kpt #: 8 total cpu time spent up to now is 23.1 secs Computing kpt #: 9 total cpu time spent up to now is 25.7 secs Computing kpt #: 10 total cpu time spent up to now is 28.3 secs Computing kpt #: 11 total cpu time spent up to now is 31.8 secs Computing kpt #: 12 total cpu time spent up to now is 34.8 secs Computing kpt #: 13 total cpu time spent up to now is 37.3 secs Computing kpt #: 14 total cpu time spent up to now is 39.8 secs Computing kpt #: 15 total cpu time spent up to now is 42.2 secs Computing kpt #: 16 total cpu time spent up to now is 44.7 secs Computing kpt #: 17 total cpu time spent up to now is 47.2 secs Computing kpt #: 18 total cpu time spent up to now is 49.8 secs Computing kpt #: 19 total cpu time spent up to now is 52.4 secs Computing kpt #: 20 total cpu time spent up to now is 55.0 secs Computing kpt #: 21 total cpu time spent up to now is 57.9 secs Computing kpt #: 22 total cpu time spent up to now is 61.5 secs Computing kpt #: 23 total cpu time spent up to now is 66.2 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.0 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.8 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.5 secs Computing kpt #: 27 total cpu time spent up to now is 83.3 secs Computing kpt #: 28 total cpu time spent up to now is 86.2 secs Computing kpt #: 29 total cpu time spent up to now is 88.8 secs Computing kpt #: 30 total cpu time spent up to now is 91.1 secs Computing kpt #: 31 total cpu time spent up to now is 93.4 secs Computing kpt #: 32 total cpu time spent up to now is 95.7 secs Computing kpt #: 33 total cpu time spent up to now is 98.0 secs Computing kpt #: 34 total cpu time spent up to now is 100.0 secs Computing kpt #: 35 total cpu time spent up to now is 101.9 secs Computing kpt #: 36 total cpu time spent up to now is 103.8 secs Computing kpt #: 37 total cpu time spent up to now is 105.7 secs Computing kpt #: 38 total cpu time spent up to now is 107.6 secs Computing kpt #: 39 total cpu time spent up to now is 109.5 secs Computing kpt #: 40 total cpu time spent up to now is 111.5 secs Computing kpt #: 41 total cpu time spent up to now is 113.4 secs Computing kpt #: 42 total cpu time spent up to now is 115.3 secs Computing kpt #: 43 total cpu time spent up to now is 117.2 secs Computing kpt #: 44 total cpu time spent up to now is 119.1 secs Computing kpt #: 45 total cpu time spent up to now is 121.0 secs Computing kpt #: 46 total cpu time spent up to now is 122.9 secs Computing kpt #: 47 total cpu time spent up to now is 124.8 secs Computing kpt #: 48 total cpu time spent up to now is 126.8 secs Computing kpt #: 49 total cpu time spent up to now is 129.0 secs Computing kpt #: 50 total cpu time spent up to now is 131.0 secs Computing kpt #: 51 total cpu time spent up to now is 132.9 secs Computing kpt #: 52 total cpu time spent up to now is 134.8 secs Computing kpt #: 53 total cpu time spent up to now is 136.7 secs Computing kpt #: 54 total cpu time spent up to now is 139.0 secs Computing kpt #: 55 total cpu time spent up to now is 140.9 secs Computing kpt #: 56 total cpu time spent up to now is 143.2 secs Computing kpt #: 57 total cpu time spent up to now is 145.2 secs Computing kpt #: 58 total cpu time spent up to now is 147.5 secs Computing kpt #: 59 total cpu time spent up to now is 149.8 secs Computing kpt #: 60 total cpu time spent up to now is 152.1 secs Computing kpt #: 61 total cpu time spent up to now is 154.4 secs Computing kpt #: 62 total cpu time spent up to now is 156.7 secs Computing kpt #: 63 total cpu time spent up to now is 159.1 secs Computing kpt #: 64 total cpu time spent up to now is 161.4 secs Computing kpt #: 65 total cpu time spent up to now is 163.7 secs Computing kpt #: 66 total cpu time spent up to now is 166.0 secs Computing kpt #: 67 total cpu time spent up to now is 168.2 secs Computing kpt #: 68 total cpu time spent up to now is 170.5 secs Computing kpt #: 69 total cpu time spent up to now is 172.8 secs Computing kpt #: 70 total cpu time spent up to now is 174.8 secs Computing kpt #: 71 total cpu time spent up to now is 177.1 secs Computing kpt #: 72 total cpu time spent up to now is 180.0 secs Computing kpt #: 73 total cpu time spent up to now is 182.9 secs Computing kpt #: 74 total cpu time spent up to now is 185.8 secs Computing kpt #: 75 total cpu time spent up to now is 188.3 secs Computing kpt #: 76 total cpu time spent up to now is 190.7 secs Computing kpt #: 77 total cpu time spent up to now is 193.1 secs Computing kpt #: 78 total cpu time spent up to now is 195.6 secs Computing kpt #: 79 total cpu time spent up to now is 198.0 secs Computing kpt #: 80 total cpu time spent up to now is 200.4 secs Computing kpt #: 81 total cpu time spent up to now is 202.9 secs Computing kpt #: 82 total cpu time spent up to now is 205.2 secs Computing kpt #: 83 total cpu time spent up to now is 207.7 secs Computing kpt #: 84 total cpu time spent up to now is 210.0 secs Computing kpt #: 85 total cpu time spent up to now is 212.3 secs Computing kpt #: 86 total cpu time spent up to now is 214.3 secs Computing kpt #: 87 total cpu time spent up to now is 216.2 secs Computing kpt #: 88 total cpu time spent up to now is 218.2 secs Computing kpt #: 89 total cpu time spent up to now is 220.2 secs Computing kpt #: 90 total cpu time spent up to now is 222.2 secs Computing kpt #: 91 total cpu time spent up to now is 224.6 secs Computing kpt #: 92 total cpu time spent up to now is 226.9 secs Computing kpt #: 93 total cpu time spent up to now is 229.3 secs Computing kpt #: 94 total cpu time spent up to now is 231.6 secs Computing kpt #: 95 total cpu time spent up to now is 233.9 secs Computing kpt #: 96 total cpu time spent up to now is 236.3 secs Computing kpt #: 97 total cpu time spent up to now is 238.7 secs Computing kpt #: 98 total cpu time spent up to now is 241.0 secs Computing kpt #: 99 total cpu time spent up to now is 243.4 secs Computing kpt #: 100 total cpu time spent up to now is 245.7 secs Computing kpt #: 101 total cpu time spent up to now is 248.1 secs Computing kpt #: 102 total cpu time spent up to now is 250.5 secs Computing kpt #: 103 total cpu time spent up to now is 253.0 secs Computing kpt #: 104 total cpu time spent up to now is 255.4 secs Computing kpt #: 105 total cpu time spent up to now is 257.9 secs Computing kpt #: 106 total cpu time spent up to now is 260.2 secs Computing kpt #: 107 total cpu time spent up to now is 262.7 secs Computing kpt #: 108 total cpu time spent up to now is 265.1 secs Computing kpt #: 109 total cpu time spent up to now is 267.5 secs Computing kpt #: 110 total cpu time spent up to now is 269.8 secs Computing kpt #: 111 total cpu time spent up to now is 271.8 secs Computing kpt #: 112 total cpu time spent up to now is 274.2 secs Computing kpt #: 113 total cpu time spent up to now is 276.1 secs Computing kpt #: 114 total cpu time spent up to now is 278.4 secs Computing kpt #: 115 total cpu time spent up to now is 280.7 secs Computing kpt #: 116 total cpu time spent up to now is 282.9 secs Computing kpt #: 117 total cpu time spent up to now is 285.5 secs Computing kpt #: 118 total cpu time spent up to now is 287.8 secs Computing kpt #: 119 total cpu time spent up to now is 289.8 secs Computing kpt #: 120 total cpu time spent up to now is 291.7 secs Computing kpt #: 121 total cpu time spent up to now is 293.6 secs Computing kpt #: 122 total cpu time spent up to now is 295.6 secs Computing kpt #: 123 total cpu time spent up to now is 297.5 secs Computing kpt #: 124 total cpu time spent up to now is 299.4 secs Computing kpt #: 125 total cpu time spent up to now is 301.7 secs Computing kpt #: 126 total cpu time spent up to now is 304.0 secs Computing kpt #: 127 total cpu time spent up to now is 306.0 secs Computing kpt #: 128 total cpu time spent up to now is 308.4 secs Computing kpt #: 129 total cpu time spent up to now is 310.7 secs Computing kpt #: 130 total cpu time spent up to now is 313.1 secs Computing kpt #: 131 total cpu time spent up to now is 315.5 secs Computing kpt #: 132 total cpu time spent up to now is 317.9 secs Computing kpt #: 133 total cpu time spent up to now is 320.2 secs Computing kpt #: 134 total cpu time spent up to now is 322.7 secs Computing kpt #: 135 total cpu time spent up to now is 325.3 secs Computing kpt #: 136 total cpu time spent up to now is 327.8 secs Computing kpt #: 137 total cpu time spent up to now is 330.3 secs Computing kpt #: 138 total cpu time spent up to now is 332.7 secs Computing kpt #: 139 total cpu time spent up to now is 335.1 secs Computing kpt #: 140 total cpu time spent up to now is 337.5 secs Computing kpt #: 141 total cpu time spent up to now is 340.0 secs Computing kpt #: 142 total cpu time spent up to now is 342.4 secs Computing kpt #: 143 total cpu time spent up to now is 344.9 secs Computing kpt #: 144 total cpu time spent up to now is 347.3 secs Computing kpt #: 145 total cpu time spent up to now is 349.9 secs Computing kpt #: 146 total cpu time spent up to now is 352.3 secs Computing kpt #: 147 total cpu time spent up to now is 354.8 secs Computing kpt #: 148 total cpu time spent up to now is 357.4 secs Computing kpt #: 149 total cpu time spent up to now is 359.9 secs Computing kpt #: 150 total cpu time spent up to now is 362.3 secs Computing kpt #: 151 total cpu time spent up to now is 364.8 secs Computing kpt #: 152 total cpu time spent up to now is 367.3 secs Computing kpt #: 153 total cpu time spent up to now is 369.7 secs Computing kpt #: 154 total cpu time spent up to now is 372.1 secs Computing kpt #: 155 total cpu time spent up to now is 374.6 secs Computing kpt #: 156 total cpu time spent up to now is 377.1 secs Computing kpt #: 157 total cpu time spent up to now is 379.6 secs Computing kpt #: 158 total cpu time spent up to now is 382.0 secs Computing kpt #: 159 total cpu time spent up to now is 384.5 secs Computing kpt #: 160 total cpu time spent up to now is 387.0 secs Computing kpt #: 161 total cpu time spent up to now is 389.4 secs Computing kpt #: 162 total cpu time spent up to now is 391.9 secs Computing kpt #: 163 total cpu time spent up to now is 394.3 secs Computing kpt #: 164 total cpu time spent up to now is 397.0 secs Computing kpt #: 165 total cpu time spent up to now is 399.5 secs Computing kpt #: 166 total cpu time spent up to now is 402.0 secs Computing kpt #: 167 total cpu time spent up to now is 404.5 secs Computing kpt #: 168 total cpu time spent up to now is 407.0 secs Computing kpt #: 169 total cpu time spent up to now is 409.5 secs Computing kpt #: 170 total cpu time spent up to now is 412.0 secs Computing kpt #: 171 total cpu time spent up to now is 414.6 secs Computing kpt #: 172 total cpu time spent up to now is 417.1 secs Computing kpt #: 173 total cpu time spent up to now is 419.7 secs Computing kpt #: 174 total cpu time spent up to now is 422.2 secs Computing kpt #: 175 total cpu time spent up to now is 424.8 secs Computing kpt #: 176 total cpu time spent up to now is 427.3 secs Computing kpt #: 177 total cpu time spent up to now is 429.8 secs Computing kpt #: 178 total cpu time spent up to now is 432.2 secs Computing kpt #: 179 total cpu time spent up to now is 435.2 secs Computing kpt #: 180 total cpu time spent up to now is 438.0 secs Computing kpt #: 181 total cpu time spent up to now is 440.6 secs Computing kpt #: 182 total cpu time spent up to now is 443.1 secs Computing kpt #: 183 total cpu time spent up to now is 446.0 secs Computing kpt #: 184 total cpu time spent up to now is 448.9 secs Computing kpt #: 185 total cpu time spent up to now is 451.7 secs Computing kpt #: 186 total cpu time spent up to now is 454.6 secs Computing kpt #: 187 total cpu time spent up to now is 457.4 secs Computing kpt #: 188 total cpu time spent up to now is 460.3 secs Computing kpt #: 189 total cpu time spent up to now is 463.2 secs Computing kpt #: 190 total cpu time spent up to now is 465.9 secs Computing kpt #: 191 total cpu time spent up to now is 468.8 secs Computing kpt #: 192 total cpu time spent up to now is 471.6 secs Computing kpt #: 193 total cpu time spent up to now is 474.5 secs Computing kpt #: 194 total cpu time spent up to now is 477.4 secs Computing kpt #: 195 total cpu time spent up to now is 480.2 secs Computing kpt #: 196 total cpu time spent up to now is 483.1 secs Computing kpt #: 197 total cpu time spent up to now is 486.0 secs Computing kpt #: 198 total cpu time spent up to now is 488.8 secs Computing kpt #: 199 total cpu time spent up to now is 491.2 secs Computing kpt #: 200 total cpu time spent up to now is 494.1 secs Computing kpt #: 201 total cpu time spent up to now is 497.0 secs Computing kpt #: 202 total cpu time spent up to now is 499.9 secs Computing kpt #: 203 total cpu time spent up to now is 502.9 secs Computing kpt #: 204 total cpu time spent up to now is 505.7 secs Computing kpt #: 205 total cpu time spent up to now is 508.6 secs Computing kpt #: 206 total cpu time spent up to now is 511.5 secs Computing kpt #: 207 total cpu time spent up to now is 513.9 secs Computing kpt #: 208 total cpu time spent up to now is 516.3 secs Computing kpt #: 209 total cpu time spent up to now is 518.6 secs Computing kpt #: 210 total cpu time spent up to now is 521.0 secs Computing kpt #: 211 total cpu time spent up to now is 523.4 secs Computing kpt #: 212 total cpu time spent up to now is 525.7 secs Computing kpt #: 213 total cpu time spent up to now is 528.1 secs Computing kpt #: 214 total cpu time spent up to now is 530.5 secs Computing kpt #: 215 total cpu time spent up to now is 532.9 secs Computing kpt #: 216 total cpu time spent up to now is 535.3 secs Computing kpt #: 217 total cpu time spent up to now is 537.8 secs Computing kpt #: 218 total cpu time spent up to now is 540.2 secs Computing kpt #: 219 total cpu time spent up to now is 542.5 secs Computing kpt #: 220 total cpu time spent up to now is 545.0 secs Computing kpt #: 221 total cpu time spent up to now is 547.3 secs Computing kpt #: 222 total cpu time spent up to now is 549.6 secs Computing kpt #: 223 total cpu time spent up to now is 551.5 secs Computing kpt #: 224 total cpu time spent up to now is 553.8 secs Computing kpt #: 225 total cpu time spent up to now is 556.3 secs Computing kpt #: 226 total cpu time spent up to now is 558.7 secs Computing kpt #: 227 total cpu time spent up to now is 561.2 secs Computing kpt #: 228 total cpu time spent up to now is 563.5 secs Computing kpt #: 229 total cpu time spent up to now is 566.3 secs Computing kpt #: 230 total cpu time spent up to now is 569.3 secs Computing kpt #: 231 total cpu time spent up to now is 572.1 secs Computing kpt #: 232 total cpu time spent up to now is 575.0 secs Computing kpt #: 233 total cpu time spent up to now is 578.4 secs Computing kpt #: 234 total cpu time spent up to now is 581.8 secs Computing kpt #: 235 total cpu time spent up to now is 585.0 secs Computing kpt #: 236 total cpu time spent up to now is 587.6 secs Computing kpt #: 237 total cpu time spent up to now is 590.4 secs Computing kpt #: 238 total cpu time spent up to now is 592.8 secs Computing kpt #: 239 total cpu time spent up to now is 595.1 secs Computing kpt #: 240 total cpu time spent up to now is 597.4 secs Computing kpt #: 241 total cpu time spent up to now is 599.4 secs Computing kpt #: 242 total cpu time spent up to now is 601.3 secs Computing kpt #: 243 total cpu time spent up to now is 603.6 secs Computing kpt #: 244 total cpu time spent up to now is 605.9 secs Computing kpt #: 245 total cpu time spent up to now is 608.2 secs Computing kpt #: 246 total cpu time spent up to now is 610.1 secs Computing kpt #: 247 total cpu time spent up to now is 612.1 secs Computing kpt #: 248 total cpu time spent up to now is 614.1 secs Computing kpt #: 249 total cpu time spent up to now is 616.0 secs Computing kpt #: 250 total cpu time spent up to now is 617.9 secs Computing kpt #: 251 total cpu time spent up to now is 619.9 secs Computing kpt #: 252 total cpu time spent up to now is 621.8 secs Computing kpt #: 253 total cpu time spent up to now is 623.7 secs Computing kpt #: 254 total cpu time spent up to now is 625.6 secs Computing kpt #: 255 total cpu time spent up to now is 627.6 secs Computing kpt #: 256 total cpu time spent up to now is 629.5 secs Computing kpt #: 257 total cpu time spent up to now is 631.5 secs Computing kpt #: 258 total cpu time spent up to now is 633.4 secs Computing kpt #: 259 total cpu time spent up to now is 635.3 secs Computing kpt #: 260 total cpu time spent up to now is 637.3 secs Computing kpt #: 261 total cpu time spent up to now is 639.2 secs Computing kpt #: 262 total cpu time spent up to now is 641.2 secs Computing kpt #: 263 total cpu time spent up to now is 643.1 secs Computing kpt #: 264 total cpu time spent up to now is 645.0 secs Computing kpt #: 265 total cpu time spent up to now is 646.9 secs Computing kpt #: 266 total cpu time spent up to now is 649.2 secs Computing kpt #: 267 total cpu time spent up to now is 651.1 secs Computing kpt #: 268 total cpu time spent up to now is 653.1 secs Computing kpt #: 269 total cpu time spent up to now is 655.0 secs Computing kpt #: 270 total cpu time spent up to now is 656.9 secs Computing kpt #: 271 total cpu time spent up to now is 658.8 secs Computing kpt #: 272 total cpu time spent up to now is 660.7 secs Computing kpt #: 273 total cpu time spent up to now is 662.6 secs Computing kpt #: 274 total cpu time spent up to now is 664.5 secs Computing kpt #: 275 total cpu time spent up to now is 666.5 secs Computing kpt #: 276 total cpu time spent up to now is 668.4 secs Computing kpt #: 277 total cpu time spent up to now is 670.3 secs Computing kpt #: 278 total cpu time spent up to now is 672.7 secs Computing kpt #: 279 total cpu time spent up to now is 675.7 secs Computing kpt #: 280 total cpu time spent up to now is 678.7 secs Computing kpt #: 281 total cpu time spent up to now is 682.8 secs Computing kpt #: 282 total cpu time spent up to now is 686.3 secs Computing kpt #: 283 total cpu time spent up to now is 688.8 secs Computing kpt #: 284 total cpu time spent up to now is 691.2 secs Computing kpt #: 285 total cpu time spent up to now is 693.5 secs Computing kpt #: 286 total cpu time spent up to now is 695.8 secs Computing kpt #: 287 total cpu time spent up to now is 698.2 secs Computing kpt #: 288 total cpu time spent up to now is 700.6 secs Computing kpt #: 289 total cpu time spent up to now is 703.0 secs Computing kpt #: 290 total cpu time spent up to now is 705.4 secs Computing kpt #: 291 total cpu time spent up to now is 707.8 secs Computing kpt #: 292 total cpu time spent up to now is 710.1 secs Computing kpt #: 293 total cpu time spent up to now is 712.5 secs Computing kpt #: 294 total cpu time spent up to now is 714.9 secs Computing kpt #: 295 total cpu time spent up to now is 717.3 secs Computing kpt #: 296 total cpu time spent up to now is 719.8 secs Computing kpt #: 297 total cpu time spent up to now is 722.1 secs Computing kpt #: 298 total cpu time spent up to now is 724.5 secs Computing kpt #: 299 total cpu time spent up to now is 727.0 secs Computing kpt #: 300 total cpu time spent up to now is 729.5 secs Computing kpt #: 301 total cpu time spent up to now is 732.7 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 737.6 secs Computing kpt #: 303 total cpu time spent up to now is 741.1 secs Computing kpt #: 304 total cpu time spent up to now is 744.1 secs Computing kpt #: 305 total cpu time spent up to now is 747.0 secs Computing kpt #: 306 total cpu time spent up to now is 749.6 secs Computing kpt #: 307 total cpu time spent up to now is 752.1 secs Computing kpt #: 308 total cpu time spent up to now is 754.5 secs Computing kpt #: 309 total cpu time spent up to now is 757.0 secs Computing kpt #: 310 total cpu time spent up to now is 759.9 secs Computing kpt #: 311 total cpu time spent up to now is 762.4 secs Computing kpt #: 312 total cpu time spent up to now is 764.8 secs Computing kpt #: 313 total cpu time spent up to now is 767.3 secs Computing kpt #: 314 total cpu time spent up to now is 769.3 secs Computing kpt #: 315 total cpu time spent up to now is 771.5 secs Computing kpt #: 316 total cpu time spent up to now is 773.5 secs Computing kpt #: 317 total cpu time spent up to now is 775.7 secs Computing kpt #: 318 total cpu time spent up to now is 777.7 secs Computing kpt #: 319 total cpu time spent up to now is 779.9 secs Computing kpt #: 320 total cpu time spent up to now is 782.2 secs Computing kpt #: 321 total cpu time spent up to now is 784.1 secs Computing kpt #: 322 total cpu time spent up to now is 786.1 secs Computing kpt #: 323 total cpu time spent up to now is 788.1 secs Computing kpt #: 324 total cpu time spent up to now is 790.0 secs ethr = 2.08E-08, avg # of iterations = 28.0 total cpu time spent up to now is 790.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4301 PWs) bands (ev): -7.3510 -7.3510 -6.8322 -6.8322 -5.6203 -5.6203 -4.9795 -4.9795 0.7955 0.7955 2.8915 2.8915 4.0554 4.0554 4.0690 4.0690 4.3751 4.3751 4.3852 4.3852 4.4814 4.4814 5.2105 5.2105 5.2377 5.2377 5.6161 5.6161 5.6522 5.6522 6.5989 6.5989 6.6040 6.6040 6.6612 6.6612 6.6704 6.6704 6.7394 6.7394 7.1996 7.1996 7.3191 7.3191 7.8591 7.8591 8.3247 8.3247 8.3477 8.3477 8.6212 8.6213 8.6305 8.6305 8.7248 8.7248 8.7350 8.7350 k = 0.0094-0.0305-0.0179 ( 4301 PWs) bands (ev): -7.3502 -7.3501 -6.8315 -6.8315 -5.6196 -5.6195 -4.9790 -4.9790 0.7964 0.7964 2.8919 2.8920 4.0535 4.0536 4.0675 4.0675 4.3712 4.3751 4.3835 4.3840 4.4801 4.4840 5.2092 5.2096 5.2366 5.2366 5.6149 5.6150 5.6509 5.6509 6.5971 6.6003 6.6038 6.6043 6.6606 6.6613 6.6702 6.6703 6.7371 6.7430 7.1999 7.2002 7.3180 7.3192 7.8576 7.8580 8.3240 8.3243 8.3471 8.3472 8.6190 8.6204 8.6288 8.6292 8.7228 8.7236 8.7335 8.7339 k = 0.0189-0.0610-0.0357 ( 4303 PWs) bands (ev): -7.3478 -7.3477 -6.8294 -6.8293 -5.6175 -5.6174 -4.9774 -4.9774 0.7991 0.7992 2.8932 2.8933 4.0460 4.0463 4.0647 4.0650 4.3614 4.3691 4.3808 4.3823 4.4804 4.4874 5.2056 5.2063 5.2332 5.2334 5.6113 5.6113 5.6471 5.6472 6.5954 6.5996 6.6032 6.6065 6.6596 6.6611 6.6693 6.6705 6.7365 6.7476 7.2011 7.2018 7.3158 7.3183 7.8535 7.8543 8.3222 8.3228 8.3452 8.3454 8.6114 8.6157 8.6251 8.6276 8.7167 8.7181 8.7304 8.7313 k = 0.0283-0.0915-0.0536 ( 4307 PWs) bands (ev): -7.3438 -7.3438 -6.8259 -6.8258 -5.6141 -5.6139 -4.9748 -4.9748 0.8036 0.8037 2.8954 2.8955 4.0308 4.0314 4.0628 4.0633 4.3454 4.3546 4.3796 4.3811 4.4819 4.4910 5.1998 5.2004 5.2278 5.2284 5.6050 5.6054 5.6409 5.6414 6.5936 6.5972 6.6021 6.6099 6.6581 6.6604 6.6682 6.6713 6.7376 6.7528 7.2032 7.2040 7.3125 7.3163 7.8471 7.8479 8.3191 8.3200 8.3423 8.3424 8.5976 8.6042 8.6223 8.6265 8.7052 8.7072 8.7273 8.7288 k = 0.0377-0.1220-0.0715 ( 4310 PWs) bands (ev): -7.3383 -7.3382 -6.8209 -6.8208 -5.6093 -5.6091 -4.9712 -4.9712 0.8100 0.8101 2.8984 2.8986 4.0086 4.0095 4.0614 4.0623 4.3237 4.3335 4.3789 4.3802 4.4841 4.4945 5.1914 5.1916 5.2205 5.2219 5.5959 5.5971 5.6324 5.6337 6.5913 6.5936 6.6008 6.6137 6.6563 6.6585 6.6677 6.6731 6.7402 6.7585 7.2059 7.2068 7.3081 7.3133 7.8387 7.8392 8.3144 8.3157 8.3378 8.3386 8.5786 8.5868 8.6194 8.6247 8.6889 8.6916 8.7244 8.7263 k = 0.0472-0.1525-0.0894 ( 4314 PWs) bands (ev): -7.3312 -7.3310 -6.8145 -6.8143 -5.6031 -5.6028 -4.9666 -4.9666 0.8181 0.8183 2.9022 2.9025 3.9798 3.9809 4.0602 4.0613 4.2968 4.3067 4.3781 4.3792 4.4867 4.4978 5.1797 5.1804 5.2117 5.2142 5.5837 5.5863 5.6221 5.6245 6.5881 6.5891 6.5992 6.6173 6.6544 6.6556 6.6685 6.6757 6.7443 6.7644 7.2091 7.2099 7.3026 7.3091 7.8285 7.8285 8.3079 8.3095 8.3321 8.3339 8.5556 8.5648 8.6150 8.6214 8.6686 8.6724 8.7217 8.7238 k = 0.0566-0.1830-0.1072 ( 4318 PWs) bands (ev): -7.3225 -7.3224 -6.8067 -6.8065 -5.5956 -5.5953 -4.9610 -4.9609 0.8281 0.8282 2.9069 2.9073 3.9449 3.9462 4.0589 4.0602 4.2649 4.2745 4.3772 4.3782 4.4893 4.5006 5.1647 5.1666 5.2016 5.2054 5.5684 5.5727 5.6103 5.6144 6.5836 6.5839 6.5973 6.6198 6.6526 6.6529 6.6707 6.6794 6.7494 6.7705 7.2124 7.2129 7.2960 7.3037 7.8161 7.8170 8.2989 8.3008 8.3252 8.3284 8.5292 8.5391 8.6076 8.6153 8.6457 8.6511 8.7194 8.7214 k = 0.0660-0.2135-0.1251 ( 4324 PWs) bands (ev): -7.3123 -7.3121 -6.7976 -6.7973 -5.5867 -5.5863 -4.9543 -4.9543 0.8397 0.8399 2.9123 2.9128 3.9040 3.9057 4.0575 4.0591 4.2282 4.2373 4.3760 4.3769 4.4917 4.5029 5.1468 5.1500 5.1905 5.1955 5.5498 5.5562 5.5976 5.6035 6.5772 6.5788 6.5948 6.6201 6.6510 6.6519 6.6742 6.6839 6.7551 6.7765 7.2153 7.2154 7.2884 7.2971 7.8024 7.8046 8.2872 8.2888 8.3174 8.3221 8.5006 8.5105 8.5951 8.6039 8.6227 8.6300 8.7178 8.7193 k = 0.0755-0.2439-0.1430 ( 4326 PWs) bands (ev): -7.3006 -7.3004 -6.7870 -6.7868 -5.5766 -5.5761 -4.9467 -4.9467 0.8531 0.8534 2.9185 2.9191 3.8576 3.8595 4.0559 4.0576 4.1868 4.1953 4.3746 4.3755 4.4937 4.5046 5.1262 5.1307 5.1783 5.1846 5.5279 5.5365 5.5844 5.5920 6.5701 6.5728 6.5915 6.6173 6.6517 6.6518 6.6791 6.6893 6.7612 6.7822 7.2170 7.2172 7.2801 7.2894 7.7880 7.7916 8.2720 8.2731 8.3088 8.3150 8.4704 8.4803 8.5755 8.5827 8.6044 8.6114 8.7168 8.7178 k = 0.0849-0.2744-0.1609 ( 4325 PWs) bands (ev): -7.2874 -7.2871 -6.7752 -6.7749 -5.5651 -5.5645 -4.9381 -4.9381 0.8682 0.8685 2.9255 2.9262 3.8059 3.8081 4.0540 4.0560 4.1408 4.1487 4.3729 4.3738 4.4950 4.5056 5.1031 5.1089 5.1652 5.1727 5.5031 5.5137 5.5710 5.5801 6.5623 6.5661 6.5872 6.6120 6.6527 6.6543 6.6852 6.6953 6.7674 6.7875 7.2172 7.2173 7.2719 7.2810 7.7732 7.7784 8.2529 8.2532 8.2993 8.3068 8.4395 8.4493 8.5501 8.5553 8.5881 8.5940 8.7144 8.7161 k = 0.0943-0.3049-0.1787 ( 4329 PWs) bands (ev): -7.2727 -7.2724 -6.7620 -6.7617 -5.5523 -5.5517 -4.9286 -4.9285 0.8850 0.8853 2.9331 2.9340 3.7492 3.7516 4.0518 4.0540 4.0906 4.0978 4.3708 4.3718 4.4955 4.5057 5.0777 5.0849 5.1513 5.1597 5.4754 5.4880 5.5575 5.5680 6.5538 6.5590 6.5820 6.6051 6.6545 6.6579 6.6922 6.7018 6.7733 6.7921 7.2145 7.2152 7.2648 7.2725 7.7584 7.7651 8.2291 8.2295 8.2888 8.2974 8.4084 8.4184 8.5222 8.5261 8.5699 8.5754 8.7033 8.7057 k = 0.1038-0.3354-0.1966 ( 4333 PWs) bands (ev): -7.2565 -7.2562 -6.7475 -6.7472 -5.5383 -5.5376 -4.9181 -4.9181 0.9034 0.9037 2.9414 2.9425 3.6879 3.6906 4.0355 4.0420 4.0499 4.0525 4.3684 4.3695 4.4948 4.5045 5.0504 5.0590 5.1365 5.1458 5.4451 5.4594 5.5440 5.5556 6.5449 6.5513 6.5757 6.5973 6.6574 6.6624 6.6999 6.7087 6.7788 6.7959 7.2078 7.2098 7.2596 7.2648 7.7440 7.7521 8.2011 8.2016 8.2771 8.2868 8.3775 8.3882 8.4935 8.4967 8.5493 8.5545 8.6875 8.6900 k = 0.1132-0.3659-0.2145 ( 4327 PWs) bands (ev): -7.2390 -7.2386 -6.7318 -6.7314 -5.5230 -5.5223 -4.9068 -4.9068 0.9233 0.9236 2.9503 2.9516 3.6223 3.6253 3.9774 3.9835 4.0468 4.0494 4.3657 4.3669 4.4925 4.5017 5.0214 5.0314 5.1210 5.1311 5.4124 5.4284 5.5306 5.5432 6.5355 6.5433 6.5685 6.5888 6.6613 6.6675 6.7081 6.7157 6.7835 6.7986 7.1974 7.2005 7.2567 7.2589 7.7300 7.7394 8.1698 8.1698 8.2641 8.2749 8.3471 8.3592 8.4651 8.4677 8.5264 8.5311 8.6735 8.6769 k = 0.1226-0.3964-0.2324 ( 4333 PWs) bands (ev): -7.2200 -7.2197 -6.7148 -6.7144 -5.5066 -5.5058 -4.8946 -4.8946 0.9448 0.9451 2.9597 2.9613 3.5527 3.5561 3.9153 3.9208 4.0436 4.0464 4.3625 4.3638 4.4883 4.4968 4.9911 5.0026 5.1049 5.1157 5.3776 5.3952 5.5174 5.5307 6.5256 6.5350 6.5605 6.5799 6.6660 6.6732 6.7165 6.7226 6.7872 6.8000 7.1843 7.1872 7.2548 7.2550 7.7167 7.7268 8.1346 8.1361 8.2497 8.2615 8.3173 8.3310 8.4375 8.4392 8.5014 8.5052 8.6629 8.6673 k = 0.1321-0.4269-0.2502 ( 4333 PWs) bands (ev): -7.1997 -7.1994 -6.6966 -6.6962 -5.4890 -5.4882 -4.8815 -4.8815 0.9677 0.9681 2.9695 2.9715 3.4796 3.4835 3.8498 3.8548 4.0400 4.0430 4.3588 4.3603 4.4816 4.4894 4.9599 4.9728 5.0883 5.0998 5.3411 5.3602 5.5044 5.5184 6.5153 6.5265 6.5515 6.5708 6.6716 6.6795 6.7248 6.7292 6.7898 6.8001 7.1695 7.1710 7.2522 7.2542 7.7040 7.7145 8.0971 8.1006 8.2339 8.2467 8.2884 8.3039 8.4110 8.4114 8.4747 8.4773 8.6560 8.6616 k = 0.1415-0.4574-0.2681 ( 4328 PWs) bands (ev): -7.1782 -7.1777 -6.6773 -6.6769 -5.4702 -5.4694 -4.8677 -4.8677 0.9921 0.9924 2.9796 2.9821 3.4034 3.4079 3.7811 3.7857 4.0360 4.0392 4.3546 4.3563 4.4718 4.4789 4.9280 4.9425 5.0715 5.0834 5.3034 5.3239 5.4917 5.5062 6.5045 6.5179 6.5416 6.5614 6.6780 6.6864 6.7330 6.7353 6.7910 6.7991 7.1527 7.1537 7.2506 7.2538 7.6917 7.7022 8.0582 8.0643 8.2165 8.2305 8.2608 8.2776 8.3844 8.3857 8.4467 8.4478 8.6530 8.6599 k = 0.1509-0.4879-0.2860 ( 4328 PWs) bands (ev): -7.1553 -7.1549 -6.6569 -6.6565 -5.4504 -5.4496 -4.8531 -4.8531 1.0177 1.0181 2.9896 2.9929 3.3244 3.3297 3.7097 3.7138 4.0315 4.0349 4.3498 4.3518 4.4584 4.4648 4.8957 4.9116 5.0545 5.0668 5.2649 5.2867 5.4793 5.4943 6.4933 6.5093 6.5308 6.5518 6.6852 6.6939 6.7404 6.7407 6.7910 6.7972 7.1333 7.1375 7.2498 7.2537 7.6797 7.6899 8.0187 8.0277 8.1975 8.2129 8.2347 8.2522 8.3580 8.3615 8.4170 8.4176 8.6538 8.6619 k = 0.1604-0.5184-0.3038 ( 4332 PWs) bands (ev): -7.1313 -7.1308 -6.6354 -6.6350 -5.4296 -5.4287 -4.8377 -4.8377 1.0447 1.0451 2.9990 3.0037 3.2433 3.2500 3.6356 3.6394 4.0265 4.0301 4.3444 4.3467 4.4409 4.4464 4.8630 4.8803 5.0376 5.0502 5.2266 5.2493 5.4673 5.4826 6.4815 6.5007 6.5190 6.5421 6.6930 6.7019 6.7439 6.7477 6.7899 6.7952 7.1132 7.1211 7.2496 7.2540 7.6679 7.6774 7.9796 7.9915 8.1769 8.1940 8.2104 8.2278 8.3322 8.3383 8.3853 8.3879 8.6583 8.6676 k = 0.1698-0.5489-0.3217 ( 4330 PWs) bands (ev): -7.1061 -7.1056 -6.6129 -6.6125 -5.4078 -5.4068 -4.8217 -4.8217 1.0728 1.0732 3.0061 3.0138 3.1610 3.1708 3.5594 3.5628 4.0211 4.0248 4.3382 4.3411 4.4189 4.4234 4.8300 4.8482 5.0208 5.0337 5.1893 5.2127 5.4558 5.4713 6.4692 6.4921 6.5062 6.5324 6.7014 6.7104 6.7452 6.7534 6.7887 6.7941 7.0931 7.1045 7.2499 7.2549 7.6562 7.6648 7.9413 7.9562 8.1550 8.1737 8.1879 8.2045 8.3067 8.3161 8.3532 8.3582 8.6662 8.6767 k = 0.1792-0.5794-0.3396 ( 4330 PWs) bands (ev): -7.0798 -7.0793 -6.5895 -6.5890 -5.3850 -5.3840 -4.8050 -4.8050 1.1021 1.1024 3.0030 3.0177 3.0833 3.1000 3.4813 3.4843 4.0150 4.0189 4.3311 4.3348 4.3924 4.3957 4.7960 4.8147 5.0043 5.0174 5.1541 5.1777 5.4447 5.4605 6.4563 6.4834 6.4925 6.5229 6.7100 6.7192 6.7438 6.7565 6.7886 6.7950 7.0733 7.0880 7.2508 7.2563 7.6443 7.6520 7.9045 7.9221 8.1320 8.1522 8.1668 8.1824 8.2813 8.2945 8.3211 8.3291 8.6773 8.6890 k = 0.1887-0.6099-0.3575 ( 4329 PWs) bands (ev): -7.0525 -7.0520 -6.5651 -6.5646 -5.3613 -5.3603 -4.7878 -4.7878 1.1323 1.1326 2.9611 2.9730 3.0526 3.0665 3.4015 3.4043 4.0084 4.0124 4.3222 4.3278 4.3624 4.3635 4.7604 4.7789 4.9883 5.0016 5.1222 5.1455 5.4342 5.4500 6.4426 6.4736 6.4792 6.5134 6.7179 6.7277 6.7407 6.7562 6.7913 6.7981 7.0541 7.0714 7.2521 7.2583 7.6322 7.6391 7.8694 7.8896 8.1082 8.1292 8.1472 8.1618 8.2556 8.2731 8.2899 8.3011 8.6914 8.7040 k = 0.1981-0.6404-0.3753 ( 4330 PWs) bands (ev): -7.0242 -7.0237 -6.5399 -6.5394 -5.3369 -5.3358 -4.7700 -4.7700 1.1634 1.1637 2.8848 2.8900 3.0589 3.0661 3.3207 3.3232 4.0013 4.0054 4.3069 4.3183 4.3287 4.3335 4.7223 4.7400 4.9730 4.9862 5.0947 5.1169 5.4242 5.4401 6.4283 6.4596 6.4693 6.5042 6.7213 6.7341 6.7401 6.7543 6.7969 6.8030 7.0357 7.0549 7.2538 7.2609 7.6199 7.6261 7.8366 7.8591 8.0835 8.1047 8.1288 8.1428 8.2294 8.2495 8.2620 8.2747 8.7081 8.7217 k = 0.2075-0.6709-0.3932 ( 4327 PWs) bands (ev): -6.9951 -6.9945 -6.5140 -6.5134 -5.3116 -5.3105 -4.7517 -4.7517 1.1953 1.1956 2.7995 2.8020 3.0687 3.0733 3.2392 3.2415 3.9935 3.9977 4.2752 4.2844 4.3138 4.3164 4.6809 4.6972 4.9583 4.9716 5.0720 5.0926 5.4147 5.4306 6.4134 6.4432 6.4613 6.4954 6.7170 6.7339 6.7461 6.7564 6.8045 6.8094 7.0184 7.0387 7.2556 7.2639 7.6075 7.6131 7.8061 7.8306 8.0577 8.0786 8.1117 8.1254 8.2028 8.2217 8.2398 8.2502 8.7274 8.7416 k = 0.2170-0.7013-0.4111 ( 4335 PWs) bands (ev): -6.9651 -6.9645 -6.4873 -6.4868 -5.2857 -5.2845 -4.7330 -4.7329 1.2278 1.2281 2.7116 2.7128 3.0769 3.0802 3.1591 3.1613 3.9852 3.9895 4.2333 4.2405 4.3048 4.3054 4.6359 4.6502 4.9444 4.9577 5.0543 5.0729 5.4057 5.4216 6.3979 6.4259 6.4538 6.4870 6.7089 6.7271 6.7549 6.7634 6.8136 6.8170 7.0025 7.0230 7.2575 7.2671 7.5950 7.6001 7.7781 7.8045 8.0307 8.0509 8.0958 8.1096 8.1762 8.1926 8.2206 8.2274 8.7488 8.7636 k = 0.2264-0.7318-0.4290 ( 4342 PWs) bands (ev): -6.9343 -6.9338 -6.4600 -6.4595 -5.2591 -5.2579 -4.7139 -4.7138 1.2608 1.2610 2.6227 2.6230 3.0585 3.0588 3.1072 3.1073 3.9763 3.9806 4.1871 4.1936 4.2954 4.2956 4.5872 4.5994 4.9314 4.9446 5.0412 5.0577 5.3974 5.4131 6.3821 6.4081 6.4468 6.4790 6.6995 6.7174 6.7641 6.7715 6.8239 6.8259 6.9880 7.0081 7.2593 7.2704 7.5825 7.5874 7.7527 7.7807 8.0025 8.0218 8.0808 8.0949 8.1501 8.1641 8.2027 8.2061 8.7730 8.7768 k = 0.2358-0.7623-0.4468 ( 4342 PWs) bands (ev): -6.9030 -6.9024 -6.4322 -6.4316 -5.2320 -5.2308 -4.6945 -4.6944 1.2941 1.2943 2.5333 2.5336 2.9827 2.9837 3.1088 3.1099 3.9669 3.9712 4.1384 4.1445 4.2853 4.2860 4.5350 4.5451 4.9193 4.9325 5.0322 5.0466 5.3896 5.4052 6.3661 6.3903 6.4401 6.4716 6.6895 6.7064 6.7730 6.7797 6.8355 6.8361 6.9753 6.9943 7.2607 7.2736 7.5702 7.5748 7.7299 7.7594 7.9732 7.9915 8.0662 8.0809 8.1249 8.1369 8.1859 8.1862 8.7822 8.7915 k = 0.2453-0.7928-0.4647 ( 4340 PWs) bands (ev): -6.8710 -6.8704 -6.4039 -6.4033 -5.2044 -5.2032 -4.6748 -4.6747 1.3276 1.3276 2.4441 2.4448 2.9003 2.9014 3.1175 3.1183 3.9570 3.9613 4.0880 4.0940 4.2750 4.2760 4.4798 4.4881 4.9082 4.9213 5.0264 5.0389 5.3824 5.3979 6.3501 6.3726 6.4339 6.4647 6.6790 6.6945 6.7814 6.7874 6.8476 6.8482 6.9645 6.9819 7.2619 7.2765 7.5581 7.5626 7.7095 7.7406 7.9430 7.9604 8.0512 8.0670 8.1014 8.1111 8.1680 8.1705 8.7866 8.7964 k = 0.2547-0.8233-0.4826 ( 4342 PWs) bands (ev): -6.8386 -6.8380 -6.3752 -6.3746 -5.1764 -5.1752 -4.6550 -4.6549 1.3608 1.3609 2.3558 2.3568 2.8174 2.8184 3.1261 3.1267 3.9465 3.9508 4.0367 4.0427 4.2644 4.2656 4.4224 4.4290 4.8981 4.9110 5.0233 5.0341 5.3758 5.3911 6.3343 6.3553 6.4279 6.4582 6.6682 6.6821 6.7892 6.7948 6.8604 6.8619 6.9555 6.9711 7.2626 7.2792 7.5465 7.5506 7.6913 7.7240 7.9121 7.9286 8.0349 8.0521 8.0799 8.0871 8.1516 8.1570 8.7906 8.8002 k = 0.2642-0.8538-0.5005 ( 4344 PWs) bands (ev): -6.8058 -6.8052 -6.3462 -6.3456 -5.1482 -5.1469 -4.6351 -4.6349 1.3936 1.3937 2.2688 2.2702 2.7348 2.7358 3.1339 3.1342 3.9356 3.9398 3.9852 3.9912 4.2536 4.2548 4.3632 4.3685 4.8889 4.9016 5.0221 5.0314 5.3699 5.3848 6.3190 6.3387 6.4221 6.4521 6.6572 6.6695 6.7965 6.8018 6.8741 6.8763 6.9487 6.9621 7.2631 7.2816 7.5352 7.5390 7.6750 7.7095 7.8808 7.8965 8.0166 8.0353 8.0603 8.0652 8.1378 8.1458 8.7942 8.8036 k = 0.2736-0.8843-0.5183 ( 4351 PWs) bands (ev): -6.7728 -6.7722 -6.3170 -6.3164 -5.1196 -5.1183 -4.6151 -4.6149 1.4253 1.4257 2.1838 2.1855 2.6530 2.6538 3.1403 3.1404 3.9236 3.9268 3.9358 3.9408 4.2426 4.2438 4.3029 4.3071 4.8806 4.8931 5.0224 5.0305 5.3644 5.3791 6.3043 6.3229 6.4166 6.4464 6.6463 6.6570 6.8032 6.8083 6.8886 6.8912 6.9439 6.9551 7.2633 7.2838 7.5244 7.5278 7.6604 7.6968 7.8492 7.8644 7.9962 8.0160 8.0419 8.0450 8.1269 8.1374 8.7973 8.8065 k = 0.2830-0.9148-0.5362 ( 4355 PWs) bands (ev): -6.7396 -6.7390 -6.2877 -6.2872 -5.0910 -5.0897 -4.5951 -4.5950 1.4556 1.4562 2.1014 2.1035 2.5722 2.5730 3.1446 3.1450 3.8832 3.8890 3.9139 3.9177 4.2313 4.2319 4.2421 4.2461 4.8732 4.8854 5.0238 5.0308 5.3596 5.3739 6.2904 6.3082 6.4112 6.4409 6.6357 6.6450 6.8096 6.8146 6.9032 6.9058 6.9416 6.9503 7.2636 7.2859 7.5141 7.5169 7.6471 7.6856 7.8178 7.8325 7.9745 7.9951 8.0236 8.0256 8.1195 8.1321 8.8000 8.8089 k = 0.2925-0.9453-0.5541 ( 4361 PWs) bands (ev): -6.7064 -6.7057 -6.2585 -6.2579 -5.0623 -5.0610 -4.5753 -4.5751 1.4832 1.4841 2.0229 2.0254 2.4927 2.4934 3.1467 3.1473 3.8352 3.8412 3.9017 3.9056 4.1811 4.1831 4.2202 4.2219 4.8667 4.8786 5.0258 5.0319 5.3552 5.3692 6.2774 6.2945 6.4060 6.4355 6.6257 6.6337 6.8158 6.8207 6.9173 6.9187 6.9430 6.9484 7.2640 7.2879 7.5041 7.5064 7.6349 7.6758 7.7868 7.8012 7.9519 7.9733 8.0046 8.0060 8.1154 8.1297 8.8023 8.8109 k = 0.3019-0.9758-0.5720 ( 4359 PWs) bands (ev): -6.6732 -6.6726 -6.2293 -6.2287 -5.0338 -5.0324 -4.5557 -4.5555 1.5065 1.5079 1.9499 1.9529 2.4148 2.4154 3.1462 3.1470 3.7895 3.7955 3.8896 3.8935 4.1206 4.1222 4.2090 4.2105 4.8609 4.8724 5.0283 5.0337 5.3515 5.3651 6.2655 6.2822 6.4007 6.4302 6.6166 6.6237 6.8219 6.8267 6.9268 6.9280 6.9508 6.9517 7.2649 7.2902 7.4945 7.4962 7.6234 7.6668 7.7563 7.7705 7.9290 7.9514 7.9848 7.9858 8.1144 8.1300 8.8040 8.8124 k = 0.3113-1.0063-0.5898 ( 4357 PWs) bands (ev): -6.6403 -6.6397 -6.2004 -6.1998 -5.0053 -5.0040 -4.5363 -4.5361 1.5224 1.5243 1.8857 1.8893 2.3387 2.3392 3.1425 3.1436 3.7469 3.7530 3.8775 3.8812 4.0609 4.0621 4.1978 4.1993 4.8558 4.8670 5.0311 5.0358 5.3482 5.3614 6.2548 6.2711 6.3954 6.4248 6.6087 6.6151 6.8279 6.8327 6.9308 6.9331 6.9622 6.9643 7.2664 7.2929 7.4850 7.4863 7.6126 7.6585 7.7267 7.7408 7.9058 7.9295 7.9644 7.9650 8.1160 8.1326 8.8053 8.8134 k = 0.3208-1.0368-0.6077 ( 4355 PWs) bands (ev): -6.6077 -6.6071 -6.1718 -6.1712 -4.9772 -4.9759 -4.5173 -4.5170 1.5261 1.5286 1.8353 1.8394 2.2646 2.2651 3.1353 3.1365 3.7082 3.7141 3.8653 3.8689 4.0025 4.0033 4.1868 4.1882 4.8514 4.8622 5.0339 5.0381 5.3455 5.3582 6.2453 6.2615 6.3899 6.4191 6.6024 6.6083 6.8340 6.8386 6.9337 6.9354 6.9768 6.9798 7.2685 7.2959 7.4757 7.4766 7.6021 7.6503 7.6982 7.7122 7.8824 7.9077 7.9435 7.9436 8.1197 8.1371 8.8062 8.8139 k = 0.3302-1.0673-0.6256 ( 4351 PWs) bands (ev): -6.5756 -6.5750 -6.1436 -6.1431 -4.9495 -4.9482 -4.4987 -4.4984 1.5121 1.5147 1.8045 1.8088 2.1929 2.1932 3.1243 3.1255 3.6738 3.6795 3.8531 3.8566 3.9458 3.9463 4.1760 4.1773 4.8476 4.8579 5.0367 5.0404 5.3432 5.3554 6.2370 6.2531 6.3843 6.4133 6.5978 6.6036 6.8400 6.8445 6.9370 6.9377 6.9926 6.9958 7.2714 7.2994 7.4663 7.4671 7.5918 7.6418 7.6713 7.6848 7.8590 7.8862 7.9220 7.9225 8.1253 8.1431 8.8066 8.8140 k = 0.3396-1.0978-0.6434 ( 4349 PWs) bands (ev): -6.5441 -6.5435 -6.1161 -6.1155 -4.9223 -4.9210 -4.4806 -4.4803 1.4792 1.4817 1.7946 1.7987 2.1237 2.1240 3.1093 3.1105 3.6439 3.6493 3.8407 3.8441 3.8913 3.8918 4.1655 4.1666 4.8443 4.8542 5.0393 5.0426 5.3413 5.3530 6.2300 6.2461 6.3786 6.4072 6.5950 6.6009 6.8461 6.8503 6.9405 6.9408 7.0085 7.0118 7.2750 7.3034 7.4567 7.4578 7.5817 7.6308 7.6483 7.6590 7.8356 7.8650 7.9004 7.9017 8.1322 8.1503 8.8066 8.8137 k = 0.3491-1.1282-0.6613 ( 4353 PWs) bands (ev): -6.5133 -6.5127 -6.0892 -6.0887 -4.8957 -4.8944 -4.4631 -4.4628 1.4329 1.4348 1.8001 1.8037 2.0574 2.0576 3.0904 3.0917 3.6185 3.6235 3.8254 3.8282 3.8429 3.8429 4.1552 4.1563 4.8415 4.8509 5.0417 5.0447 5.3398 5.3510 6.2242 6.2404 6.3728 6.4009 6.5941 6.6004 6.8523 6.8563 6.9441 6.9452 7.0243 7.0276 7.2793 7.3078 7.4466 7.4484 7.5717 7.6124 7.6339 7.6348 7.8124 7.8440 7.8789 7.8811 8.1402 8.1584 8.8061 8.8129 k = 0.3585-1.1587-0.6792 ( 4350 PWs) bands (ev): -6.4834 -6.4829 -6.0631 -6.0627 -4.8699 -4.8686 -4.4462 -4.4459 1.3795 1.3810 1.8140 1.8171 1.9944 1.9946 3.0682 3.0693 3.5971 3.6016 3.7865 3.7867 3.8209 3.8233 4.1454 4.1463 4.8391 4.8480 5.0438 5.0465 5.3387 5.3493 6.2196 6.2359 6.3672 6.3947 6.5950 6.6018 6.8585 6.8622 6.9484 6.9503 7.0396 7.0429 7.2841 7.3124 7.4362 7.4391 7.5619 7.5903 7.6126 7.6246 7.7897 7.8232 7.8580 7.8610 8.1490 8.1672 8.8054 8.8118 k = 0.3679-1.1892-0.6971 ( 4357 PWs) bands (ev): -6.4546 -6.4541 -6.0380 -6.0376 -4.8449 -4.8437 -4.4301 -4.4298 1.3238 1.3249 1.8308 1.8334 1.9360 1.9360 3.0433 3.0443 3.5788 3.5827 3.7414 3.7415 3.8090 3.8115 4.1359 4.1368 4.8371 4.8454 5.0457 5.0481 5.3379 5.3480 6.2160 6.2324 6.3619 6.3886 6.5977 6.6050 6.8647 6.8682 6.9536 6.9561 7.0543 7.0574 7.2893 7.3169 7.4251 7.4297 7.5518 7.5685 7.5928 7.6162 7.7676 7.8027 7.8378 7.8416 8.1583 8.1763 8.8043 8.8103 k = 0.3774-1.2197-0.7149 ( 4349 PWs) bands (ev): -6.4270 -6.4264 -6.0140 -6.0135 -4.8210 -4.8198 -4.4148 -4.4145 1.2681 1.2690 1.8405 1.8419 1.8898 1.8906 3.0164 3.0172 3.5622 3.5655 3.7001 3.7006 3.7982 3.8006 4.1269 4.1277 4.8354 4.8432 5.0472 5.0494 5.3375 5.3469 6.2135 6.2298 6.3571 6.3829 6.6020 6.6098 6.8710 6.8743 6.9596 6.9626 7.0681 7.0713 7.2945 7.3212 7.4134 7.4205 7.5410 7.5481 7.5763 7.6079 7.7466 7.7825 7.8186 7.8229 8.1679 8.1856 8.8029 8.8086 k = 0.3868-1.2502-0.7328 ( 4357 PWs) bands (ev): -6.4006 -6.4002 -5.9911 -5.9907 -4.7982 -4.7971 -4.4003 -4.4001 1.2141 1.2148 1.8107 1.8108 1.8868 1.8888 2.9885 2.9891 3.5457 3.5480 3.6645 3.6655 3.7880 3.7903 4.1184 4.1191 4.8340 4.8413 5.0484 5.0504 5.3372 5.3460 6.2118 6.2280 6.3529 6.3777 6.6076 6.6160 6.8772 6.8802 6.9664 6.9697 7.0810 7.0841 7.2996 7.3247 7.4010 7.4113 7.5288 7.5293 7.5639 7.5992 7.7270 7.7627 7.8004 7.8051 8.1776 8.1947 8.8013 8.8066 k = 0.3962-1.2807-0.7507 ( 4368 PWs) bands (ev): -6.3758 -6.3753 -5.9695 -5.9691 -4.7766 -4.7755 -4.3868 -4.3866 1.1627 1.1632 1.7640 1.7641 1.9039 1.9058 2.9602 2.9607 3.5271 3.5285 3.6364 3.6378 3.7785 3.7806 4.1104 4.1111 4.8328 4.8395 5.0494 5.0511 5.3372 5.3453 6.2108 6.2267 6.3495 6.3730 6.6143 6.6232 6.8833 6.8861 6.9741 6.9776 7.0929 7.0958 7.3040 7.3268 7.3880 7.4024 7.5122 7.5154 7.5557 7.5903 7.7093 7.7436 7.7834 7.7883 8.1871 8.2036 8.7996 8.8045 k = 0.4057-1.3112-0.7686 ( 4369 PWs) bands (ev): -6.3526 -6.3521 -5.9494 -5.9490 -4.7564 -4.7554 -4.3743 -4.3740 1.1145 1.1148 1.7186 1.7186 1.9227 1.9244 2.9323 2.9327 3.5054 3.5060 3.6162 3.6182 3.7697 3.7716 4.1030 4.1036 4.8319 4.8380 5.0501 5.0517 5.3373 5.3448 6.2104 6.2257 6.3470 6.3690 6.6219 6.6312 6.8892 6.8918 6.9825 6.9861 7.1035 7.1064 7.3077 7.3273 7.3747 7.3938 7.4970 7.5015 7.5509 7.5813 7.6940 7.7253 7.7676 7.7725 8.1963 8.2120 8.7977 8.8023 k = 0.4151-1.3417-0.7864 ( 4366 PWs) bands (ev): -6.3311 -6.3307 -5.9308 -5.9305 -4.7377 -4.7367 -4.3629 -4.3626 1.0698 1.0701 1.6764 1.6764 1.9409 1.9424 2.9055 2.9058 3.4812 3.4813 3.6032 3.6053 3.7616 3.7633 4.0963 4.0968 4.8312 4.8367 5.0506 5.0520 5.3377 5.3444 6.2105 6.2250 6.3455 6.3658 6.6302 6.6397 6.8950 6.8973 6.9918 6.9955 7.1130 7.1157 7.3104 7.3257 7.3611 7.3855 7.4837 7.4882 7.5486 7.5724 7.6810 7.7082 7.7531 7.7578 8.2051 8.2198 8.7958 8.8000 k = 0.4245-1.3722-0.8043 ( 4366 PWs) bands (ev): -6.3115 -6.3111 -5.9138 -5.9135 -4.7206 -4.7197 -4.3525 -4.3522 1.0292 1.0294 1.6380 1.6381 1.9578 1.9592 2.8803 2.8805 3.4563 3.4565 3.5951 3.5971 3.7542 3.7557 4.0901 4.0906 4.8306 4.8355 5.0509 5.0521 5.3381 5.3441 6.2109 6.2244 6.3449 6.3633 6.6388 6.6483 6.9004 6.9025 7.0017 7.0054 7.1210 7.1236 7.3119 7.3220 7.3478 7.3776 7.4719 7.4757 7.5483 7.5644 7.6704 7.6925 7.7400 7.7444 8.2132 8.2269 8.7939 8.7977 k = 0.4340-1.4027-0.8222 ( 4368 PWs) bands (ev): -6.2938 -6.2935 -5.8986 -5.8983 -4.7051 -4.7044 -4.3432 -4.3430 0.9927 0.9929 1.6037 1.6038 1.9732 1.9744 2.8572 2.8573 3.4325 3.4328 3.5902 3.5921 3.7476 3.7489 4.0847 4.0850 4.8302 4.8345 5.0510 5.0521 5.3386 5.3439 6.2115 6.2237 6.3451 6.3615 6.6475 6.6568 6.9054 6.9072 7.0121 7.0158 7.1277 7.1301 7.3119 7.3164 7.3352 7.3697 7.4615 7.4645 7.5494 7.5577 7.6620 7.6783 7.7282 7.7322 8.2207 8.2331 8.7921 8.7954 k = 0.4434-1.4332-0.8401 ( 4365 PWs) bands (ev): -6.2783 -6.2780 -5.8852 -5.8850 -4.6916 -4.6909 -4.3351 -4.3349 0.9608 0.9609 1.5737 1.5738 1.9868 1.9878 2.8365 2.8366 3.4108 3.4111 3.5872 3.5889 3.7418 3.7430 4.0799 4.0802 4.8299 4.8336 5.0511 5.0520 5.3392 5.3438 6.2122 6.2229 6.3461 6.3602 6.6560 6.6648 6.9099 6.9115 7.0228 7.0265 7.1331 7.1352 7.3094 7.3099 7.3245 7.3617 7.4524 7.4546 7.5513 7.5529 7.6554 7.6659 7.7179 7.7214 8.2273 8.2384 8.7905 8.7933 k = 0.4528-1.4637-0.8579 ( 4363 PWs) bands (ev): -6.2650 -6.2648 -5.8737 -5.8735 -4.6799 -4.6793 -4.3283 -4.3281 0.9334 0.9335 1.5481 1.5481 1.9985 1.9993 2.8185 2.8185 3.3918 3.3921 3.5855 3.5869 3.7369 3.7379 4.0758 4.0761 4.8297 4.8328 5.0511 5.0518 5.3398 5.3436 6.2130 6.2220 6.3476 6.3594 6.6641 6.6721 6.9139 6.9152 7.0336 7.0370 7.1372 7.1390 7.3019 7.3043 7.3176 7.3534 7.4445 7.4463 7.5501 7.5536 7.6502 7.6556 7.7091 7.7120 8.2332 8.2427 8.7890 8.7914 k = 0.4623-1.4942-0.8758 ( 4363 PWs) bands (ev): -6.2540 -6.2538 -5.8642 -5.8640 -4.6702 -4.6697 -4.3226 -4.3224 0.9108 0.9109 1.5270 1.5271 2.0081 2.0088 2.8035 2.8035 3.3760 3.3763 3.5846 3.5857 3.7329 3.7336 4.0725 4.0727 4.8296 4.8321 5.0510 5.0516 5.3404 5.3434 6.2138 6.2211 6.3494 6.3588 6.6714 6.6783 6.9173 6.9183 7.0438 7.0471 7.1402 7.1416 7.2944 7.2961 7.3144 7.3448 7.4380 7.4395 7.5491 7.5556 7.6460 7.6474 7.7019 7.7042 8.2382 8.2460 8.7878 8.7898 k = 0.4717-1.5247-0.8937 ( 4363 PWs) bands (ev): -6.2453 -6.2452 -5.8567 -5.8566 -4.6625 -4.6622 -4.3182 -4.3180 0.8932 0.8932 1.5105 1.5106 2.0157 2.0162 2.7916 2.7916 3.3635 3.3637 3.5841 3.5849 3.7297 3.7303 4.0699 4.0700 4.8296 4.8315 5.0509 5.0514 5.3410 5.3433 6.2146 6.2201 6.3513 6.3583 6.6777 6.6832 6.9199 6.9207 7.0531 7.0559 7.1421 7.1432 7.2877 7.2885 7.3128 7.3363 7.4330 7.4343 7.5496 7.5569 7.6416 7.6426 7.6962 7.6979 8.2423 8.2483 8.7869 8.7883 k = 0.4811-1.5552-0.9115 ( 4361 PWs) bands (ev): -6.2391 -6.2390 -5.8513 -5.8513 -4.6570 -4.6568 -4.3150 -4.3149 0.8805 0.8805 1.4987 1.4987 2.0212 2.0215 2.7830 2.7830 3.3545 3.3546 3.5839 3.5844 3.7275 3.7278 4.0680 4.0681 4.8297 4.8310 5.0509 5.0512 5.3415 5.3430 6.2155 6.2191 6.3532 6.3578 6.6827 6.6865 6.9219 6.9224 7.0608 7.0629 7.1433 7.1440 7.2824 7.2826 7.3124 7.3284 7.4297 7.4305 7.5511 7.5573 7.6381 7.6399 7.6921 7.6933 8.2455 8.2496 8.7862 8.7872 k = 0.4906-1.5856-0.9294 ( 4362 PWs) bands (ev): -6.2353 -6.2353 -5.8481 -5.8481 -4.6537 -4.6536 -4.3130 -4.3130 0.8728 0.8728 1.4916 1.4916 2.0245 2.0247 2.7779 2.7779 3.3491 3.3492 3.5839 3.5841 3.7262 3.7263 4.0669 4.0669 4.8299 4.8305 5.0509 5.0510 5.3420 5.3427 6.2163 6.2182 6.3548 6.3571 6.6862 6.6882 6.9231 6.9234 7.0660 7.0672 7.1439 7.1442 7.2789 7.2789 7.3136 7.3217 7.4278 7.4282 7.5530 7.5565 7.6366 7.6379 7.6898 7.6904 8.2479 8.2499 8.7860 8.7864 k = 0.5000-1.6161-0.9473 ( 4364 PWs) bands (ev): -6.2340 -6.2340 -5.8470 -5.8470 -4.6525 -4.6525 -4.3124 -4.3124 0.8703 0.8703 1.4892 1.4892 2.0257 2.0257 2.7761 2.7761 3.3473 3.3473 3.5840 3.5840 3.7258 3.7258 4.0665 4.0665 4.8302 4.8302 5.0509 5.0509 5.3424 5.3424 6.2172 6.2172 6.3561 6.3561 6.6881 6.6881 6.9237 6.9237 7.0683 7.0683 7.1442 7.1442 7.2777 7.2777 7.3166 7.3166 7.4273 7.4273 7.5549 7.5549 7.6366 7.6366 7.6892 7.6892 8.2494 8.2494 8.7860 8.7860 k = 0.5000-1.6161-0.9473 ( 4364 PWs) bands (ev): -6.2340 -6.2340 -5.8470 -5.8470 -4.6525 -4.6525 -4.3124 -4.3124 0.8703 0.8703 1.4892 1.4892 2.0257 2.0257 2.7761 2.7761 3.3473 3.3473 3.5840 3.5840 3.7258 3.7258 4.0665 4.0665 4.8302 4.8302 5.0509 5.0509 5.3424 5.3424 6.2172 6.2172 6.3561 6.3561 6.6881 6.6881 6.9237 6.9237 7.0683 7.0683 7.1442 7.1442 7.2777 7.2777 7.3166 7.3166 7.4273 7.4273 7.5549 7.5549 7.6366 7.6366 7.6892 7.6892 8.2494 8.2494 8.7860 8.7860 k = 0.5000-1.5974-0.9793 ( 4366 PWs) bands (ev): -6.2337 -6.2336 -5.8468 -5.8466 -4.6522 -4.6522 -4.3122 -4.3122 0.8714 0.8715 1.4900 1.4904 2.0260 2.0260 2.7766 2.7769 3.3473 3.3479 3.5828 3.5841 3.7221 3.7251 4.0620 4.0633 4.8258 4.8273 5.0504 5.0543 5.3378 5.3427 6.2149 6.2201 6.3528 6.3576 6.6837 6.6903 6.9256 6.9260 7.0645 7.0688 7.1371 7.1506 7.2753 7.2814 7.3155 7.3178 7.4226 7.4322 7.5506 7.5603 7.6341 7.6390 7.6894 7.6919 8.2483 8.2519 8.7807 8.7839 k = 0.5000-1.5786-1.0113 ( 4368 PWs) bands (ev): -6.2327 -6.2325 -5.8460 -5.8455 -4.6513 -4.6511 -4.3116 -4.3115 0.8750 0.8751 1.4927 1.4936 2.0269 2.0270 2.7783 2.7790 3.3479 3.3491 3.5807 3.5832 3.7141 3.7202 4.0498 4.0523 4.8144 4.8173 5.0526 5.0601 5.3292 5.3388 6.2131 6.2235 6.3477 6.3573 6.6773 6.6903 6.9315 6.9328 7.0582 7.0657 7.1305 7.1553 7.2751 7.2850 7.3140 7.3198 7.4183 7.4374 7.5475 7.5665 7.6316 7.6412 7.6923 7.6973 8.2488 8.2560 8.7682 8.7745 k = 0.5000-1.5599-1.0433 ( 4366 PWs) bands (ev): -6.2310 -6.2307 -5.8446 -5.8439 -4.6497 -4.6495 -4.3106 -4.3104 0.8809 0.8810 1.4974 1.4987 2.0285 2.0286 2.7812 2.7823 3.3490 3.3508 3.5773 3.5812 3.7019 3.7113 4.0300 4.0340 4.7971 4.8011 5.0564 5.0670 5.3170 5.3311 6.2115 6.2271 6.3412 6.3555 6.6692 6.6883 6.9408 6.9438 7.0502 7.0591 7.1251 7.1575 7.2768 7.2870 7.3126 7.3239 7.4145 7.4427 7.5456 7.5736 7.6296 7.6431 7.6976 7.7052 8.2506 8.2615 8.7490 8.7585 k = 0.5000-1.5411-1.0752 ( 4366 PWs) bands (ev): -6.2287 -6.2282 -5.8426 -5.8416 -4.6474 -4.6471 -4.3091 -4.3089 0.8892 0.8893 1.5040 1.5058 2.0307 2.0308 2.7853 2.7868 3.3502 3.3528 3.5726 3.5778 3.6862 3.6988 4.0032 4.0085 4.7747 4.7798 5.0604 5.0735 5.3023 5.3204 6.2099 6.2304 6.3338 6.3525 6.6598 6.6847 6.9526 6.9583 7.0412 7.0499 7.1207 7.1570 7.2790 7.2869 7.3127 7.3303 7.4112 7.4482 7.5451 7.5814 7.6282 7.6450 7.7050 7.7150 8.2538 8.2682 8.7240 8.7367 k = 0.5000-1.5224-1.1072 ( 4368 PWs) bands (ev): -6.2256 -6.2251 -5.8400 -5.8388 -4.6445 -4.6442 -4.3073 -4.3071 0.8998 0.9000 1.5126 1.5148 2.0335 2.0336 2.7905 2.7924 3.3512 3.3546 3.5661 3.5726 3.6675 3.6835 3.9697 3.9765 4.7480 4.7541 5.0629 5.0778 5.2863 5.3078 6.2078 6.2327 6.3262 6.3490 6.6495 6.6797 6.9657 6.9756 7.0320 7.0390 7.1169 7.1541 7.2801 7.2851 7.3158 7.3381 7.4087 7.4537 7.5462 7.5898 7.6273 7.6470 7.7140 7.7264 8.2582 8.2761 8.6942 8.7102 k = 0.5000-1.5036-1.1392 ( 4360 PWs) bands (ev): -6.2219 -6.2213 -5.8368 -5.8353 -4.6410 -4.6406 -4.3051 -4.3048 0.9127 0.9130 1.5231 1.5257 2.0369 2.0370 2.7968 2.7991 3.3513 3.3555 3.5576 3.5650 3.6472 3.6664 3.9304 3.9387 4.7178 4.7251 5.0621 5.0776 5.2714 5.2949 6.2047 6.2329 6.3197 6.3457 6.6386 6.6739 6.9783 6.9946 7.0237 7.0277 7.1134 7.1496 7.2793 7.2827 7.3219 7.3461 7.4072 7.4594 7.5490 7.5989 7.6270 7.6493 7.7244 7.7389 8.2635 8.2848 8.6609 8.6803 k = 0.5000-1.4849-1.1712 ( 4358 PWs) bands (ev): -6.2176 -6.2169 -5.8331 -5.8314 -4.6369 -4.6365 -4.3025 -4.3022 0.9280 0.9284 1.5355 1.5386 2.0408 2.0410 2.8041 2.8068 3.3493 3.3545 3.5469 3.5542 3.6268 3.6484 3.8860 3.8961 4.6846 4.6930 5.0561 5.0705 5.2600 5.2835 6.1999 6.2297 6.3154 6.3433 6.6275 6.6676 6.9863 7.0113 7.0161 7.0233 7.1102 7.1441 7.2771 7.2813 7.3298 7.3533 7.4069 7.4652 7.5537 7.6085 7.6273 7.6518 7.7358 7.7522 8.2692 8.2939 8.6254 8.6481 k = 0.5000-1.4661-1.2032 ( 4354 PWs) bands (ev): -6.2128 -6.2119 -5.8289 -5.8270 -4.6323 -4.6318 -4.2996 -4.2992 0.9456 0.9460 1.5497 1.5533 2.0453 2.0455 2.8121 2.8153 3.3433 3.3495 3.5348 3.5404 3.6079 3.6305 3.8376 3.8499 4.6488 4.6585 5.0432 5.0547 5.2541 5.2754 6.1930 6.2222 6.3143 6.3424 6.6165 6.6612 6.9852 7.0024 7.0235 7.0366 7.1076 7.1381 7.2751 7.2819 7.3377 7.3594 7.4081 7.4710 7.5606 7.6186 7.6281 7.6548 7.7480 7.7660 8.2748 8.3027 8.5891 8.6152 k = 0.5000-1.4474-1.2352 ( 4352 PWs) bands (ev): -6.2073 -6.2064 -5.8242 -5.8220 -4.6271 -4.6266 -4.2964 -4.2960 0.9655 0.9659 1.5658 1.5699 2.0504 2.0506 2.8207 2.8244 3.3311 3.3378 3.5230 3.5258 3.5901 3.6124 3.7871 3.8017 4.6107 4.6218 5.0225 5.0304 5.2541 5.2717 6.1836 6.2106 6.3162 6.3437 6.6060 6.6551 6.9784 6.9912 7.0316 7.0527 7.1058 7.1327 7.2749 7.2849 7.3446 7.3639 7.4112 7.4766 7.5697 7.6289 7.6295 7.6582 7.7608 7.7802 8.2794 8.3100 8.5541 8.5831 k = 0.5000-1.4287-1.2672 ( 4358 PWs) bands (ev): -6.2014 -6.2004 -5.8191 -5.8167 -4.6215 -4.6208 -4.2929 -4.2925 0.9877 0.9882 1.5837 1.5883 2.0558 2.0561 2.8295 2.8338 3.3104 3.3167 3.5134 3.5140 3.5715 3.5926 3.7370 3.7541 4.5708 4.5832 4.9938 4.9993 5.2589 5.2724 6.1718 6.1959 6.3205 6.3473 6.5962 6.6494 6.9700 6.9803 7.0377 7.0643 7.1045 7.1290 7.2780 7.2904 7.3501 7.3668 7.4163 7.4818 7.5808 7.6311 7.6396 7.6623 7.7741 7.7945 8.2816 8.3136 8.5230 8.5537 k = 0.5000-1.4099-1.2991 ( 4360 PWs) bands (ev): -6.1950 -6.1939 -5.8136 -5.8110 -4.6153 -4.6146 -4.2892 -4.2887 1.0121 1.0126 1.6034 1.6084 2.0618 2.0621 2.8379 2.8429 3.2803 3.2853 3.5036 3.5081 3.5507 3.5685 3.6920 3.7105 4.5294 4.5431 4.9575 4.9640 5.2671 5.2768 6.1579 6.1790 6.3264 6.3530 6.5871 6.6443 6.9614 6.9698 7.0406 7.0696 7.1034 7.1276 7.2853 7.2984 7.3548 7.3684 7.4232 7.4866 7.5936 7.6335 7.6496 7.6678 7.7876 7.8090 8.2799 8.3106 8.4994 8.5292 k = 0.5000-1.3912-1.3311 ( 4360 PWs) bands (ev): -6.1882 -6.1870 -5.8077 -5.8049 -4.6088 -4.6080 -4.2853 -4.2848 1.0387 1.0393 1.6248 1.6303 2.0681 2.0684 2.8451 2.8508 3.2420 3.2456 3.4858 3.4987 3.5333 3.5431 3.6570 3.6744 4.4868 4.5018 4.9160 4.9249 5.2775 5.2840 6.1423 6.1608 6.3334 6.3606 6.5791 6.6400 6.9529 6.9597 7.0404 7.0687 7.1022 7.1270 7.2960 7.3087 7.3590 7.3700 7.4313 7.4910 7.6074 7.6371 7.6582 7.6755 7.8012 7.8236 8.2724 8.2982 8.4864 8.5116 k = 0.5000-1.3724-1.3631 ( 4364 PWs) bands (ev): -6.1810 -6.1797 -5.8016 -5.7985 -4.6018 -4.6011 -4.2813 -4.2807 1.0675 1.0681 1.6478 1.6539 2.0748 2.0752 2.8495 2.8560 3.1979 3.2014 3.4480 3.4630 3.5303 3.5366 3.6330 3.6471 4.4433 4.4597 4.8711 4.8825 5.2892 5.2931 6.1254 6.1418 6.3414 6.3697 6.5721 6.6366 6.9445 6.9498 7.0381 7.0635 7.1006 7.1252 7.3059 7.3228 7.3604 7.3761 7.4401 7.4952 7.6204 7.6430 7.6651 7.6860 7.8148 7.8381 8.2584 8.2764 8.4841 8.5019 k = 0.5000-1.3537-1.3951 ( 4358 PWs) bands (ev): -6.1735 -6.1721 -5.7952 -5.7919 -4.5946 -4.5938 -4.2771 -4.2765 1.0984 1.0992 1.6724 1.6792 2.0819 2.0823 2.8486 2.8558 3.1524 3.1568 3.3968 3.4085 3.5379 3.5431 3.6160 3.6266 4.3994 4.4170 4.8239 4.8375 5.3017 5.3036 6.1076 6.1226 6.3502 6.3801 6.5661 6.6342 6.9363 6.9400 7.0347 7.0559 7.0984 7.1213 7.3111 7.3410 7.3590 7.3887 7.4492 7.4993 7.6303 7.6528 7.6717 7.6984 7.8281 7.8525 8.2379 8.2486 8.4897 8.5000 k = 0.5000-1.3349-1.4271 ( 4352 PWs) bands (ev): -6.1658 -6.1644 -5.7886 -5.7851 -4.5871 -4.5862 -4.2729 -4.2723 1.1314 1.1323 1.6986 1.7060 2.0892 2.0896 2.8384 2.8458 3.1112 3.1164 3.3393 3.3481 3.5499 3.5545 3.6026 3.6104 4.3553 4.3743 4.7752 4.7907 5.3139 5.3156 6.0894 6.1035 6.3599 6.3917 6.5613 6.6327 6.9279 6.9302 7.0307 7.0473 7.0955 7.1156 7.3126 7.3512 7.3658 7.4053 7.4585 7.5039 7.6370 7.6641 7.6809 7.7119 7.8410 7.8669 8.2114 8.2193 8.4986 8.5050 k = 0.5000-1.3162-1.4591 ( 4348 PWs) bands (ev): -6.1579 -6.1564 -5.7819 -5.7783 -4.5794 -4.5784 -4.2687 -4.2681 1.1665 1.1675 1.7262 1.7343 2.0967 2.0972 2.8143 2.8208 3.0800 3.0848 3.2797 3.2864 3.5640 3.5687 3.5908 3.5964 4.3115 4.3317 4.7255 4.7427 5.3258 5.3287 6.0711 6.0847 6.3704 6.4042 6.5575 6.6321 6.9185 6.9206 7.0265 7.0382 7.0919 7.1085 7.3116 7.3472 7.3852 7.4237 7.4680 7.5097 7.6430 7.6722 7.6954 7.7261 7.8533 7.8809 8.1801 8.1913 8.5069 8.5156 k = 0.5000-1.2974-1.4911 ( 4352 PWs) bands (ev): -6.1500 -6.1484 -5.7752 -5.7713 -4.5715 -4.5705 -4.2645 -4.2639 1.2036 1.2047 1.7552 1.7640 2.1043 2.1050 2.7740 2.7790 3.0593 3.0632 3.2221 3.2274 3.5746 3.5800 3.5839 3.5891 4.2683 4.2898 4.6753 4.6940 5.3377 5.3419 6.0529 6.0665 6.3817 6.4175 6.5546 6.6325 6.9077 6.9112 7.0222 7.0292 7.0882 7.1004 7.3091 7.3413 7.4034 7.4412 7.4784 7.5174 7.6494 7.6782 7.7130 7.7407 7.8650 7.8945 8.1478 8.1636 8.5140 8.5264 k = 0.5000-1.2787-1.5231 ( 4354 PWs) bands (ev): -6.1420 -6.1404 -5.7685 -5.7645 -4.5635 -4.5625 -4.2605 -4.2598 1.2426 1.2439 1.7853 1.7949 2.1121 2.1128 2.7199 2.7233 3.0404 3.0452 3.1731 3.1779 3.5658 3.5676 3.6000 3.6041 4.2262 4.2489 4.6252 4.6452 5.3496 5.3551 6.0353 6.0489 6.3937 6.4318 6.5528 6.6338 6.8959 6.9011 7.0178 7.0206 7.0846 7.0920 7.3056 7.3345 7.4185 7.4546 7.4914 7.5275 7.6570 7.6836 7.7318 7.7555 7.8759 7.9077 8.1164 8.1365 8.5179 8.5321 k = 0.5000-1.2599-1.5550 ( 4364 PWs) bands (ev): -6.1341 -6.1324 -5.7618 -5.7577 -4.5556 -4.5545 -4.2566 -4.2559 1.2835 1.2849 1.8166 1.8270 2.1199 2.1208 2.6558 2.6587 3.0093 3.0161 3.1445 3.1490 3.5530 3.5542 3.6183 3.6230 4.1855 4.2095 4.5754 4.5968 5.3614 5.3680 6.0183 6.0321 6.4066 6.4470 6.5519 6.6359 6.8833 6.8900 7.0123 7.0132 7.0815 7.0837 7.3014 7.3271 7.4301 7.4624 7.5072 7.5397 7.6662 7.6891 7.7508 7.7703 7.8859 7.9202 8.0866 8.1104 8.5140 8.5274 k = 0.5000-1.2412-1.5870 ( 4360 PWs) bands (ev): -6.1264 -6.1246 -5.7554 -5.7511 -4.5476 -4.5466 -4.2529 -4.2522 1.3262 1.3278 1.8487 1.8601 2.1276 2.1287 2.5858 2.5892 2.9615 2.9691 3.1398 3.1429 3.5383 3.5405 3.6376 3.6430 4.1467 4.1719 4.5266 4.5492 5.3730 5.3805 6.0022 6.0163 6.4202 6.4631 6.5520 6.6390 6.8699 6.8776 7.0046 7.0081 7.0751 7.0803 7.2968 7.3193 7.4388 7.4663 7.5233 7.5532 7.6770 7.6953 7.7696 7.7851 7.8950 7.9319 8.0589 8.0859 8.4997 8.5128 k = 0.5000-1.2224-1.6190 ( 4364 PWs) bands (ev): -6.1189 -6.1171 -5.7492 -5.7448 -4.5398 -4.5388 -4.2495 -4.2488 1.3705 1.3725 1.8814 1.8940 2.1352 2.1365 2.5127 2.5169 2.9048 2.9127 3.1489 3.1506 3.5224 3.5258 3.6573 3.6635 4.1102 4.1366 4.4790 4.5030 5.3842 5.3927 5.9870 6.0014 6.4345 6.4800 6.5528 6.6428 6.8557 6.8637 6.9972 7.0026 7.0679 7.0797 7.2919 7.3112 7.4450 7.4680 7.5373 7.5670 7.6889 7.7025 7.7880 7.7994 7.9032 7.9426 8.0337 8.0631 8.4779 8.4931 k = 0.5000-1.2037-1.6510 ( 4358 PWs) bands (ev): -6.1117 -6.1099 -5.7434 -5.7389 -4.5323 -4.5311 -4.2465 -4.2457 1.4165 1.4188 1.9144 1.9283 2.1424 2.1442 2.4385 2.4436 2.8454 2.8539 3.1645 3.1649 3.5052 3.5098 3.6771 3.6842 4.0765 4.1040 4.4333 4.4588 5.3951 5.4044 5.9728 5.9875 6.4493 6.4979 6.5543 6.6472 6.8409 6.8484 6.9899 6.9965 7.0618 7.0806 7.2869 7.3029 7.4494 7.4689 7.5480 7.5806 7.7002 7.7120 7.8058 7.8130 7.9105 7.9520 8.0115 8.0428 8.4542 8.4719 k = 0.5000-1.1849-1.6830 ( 4372 PWs) bands (ev): -6.1050 -6.1031 -5.7380 -5.7334 -4.5249 -4.5238 -4.2439 -4.2431 1.4638 1.4667 1.9473 1.9626 2.1491 2.1514 2.3647 2.3708 2.7862 2.7956 3.1827 3.1835 3.4868 3.4926 3.6965 3.7047 4.0458 4.0744 4.3900 4.4170 5.4056 5.4155 5.9597 5.9746 6.4646 6.5166 6.5563 6.6521 6.8256 6.8317 6.9824 6.9900 7.0571 7.0827 7.2819 7.2945 7.4522 7.4693 7.5557 7.5927 7.7092 7.7241 7.8225 7.8255 7.9170 7.9587 7.9933 8.0255 8.4313 8.4514 k = 0.5000-1.1662-1.7150 ( 4372 PWs) bands (ev): -6.0988 -6.0969 -5.7331 -5.7284 -4.5180 -4.5168 -4.2417 -4.2409 1.5123 1.5160 1.9794 1.9964 2.1542 2.1574 2.2931 2.3002 2.7288 2.7395 3.2024 3.2042 3.4673 3.4741 3.7151 3.7245 4.0187 4.0481 4.3496 4.3783 5.4156 5.4262 5.9477 5.9627 6.4803 6.5363 6.5589 6.6574 6.8100 6.8137 6.9749 6.9835 7.0538 7.0860 7.2769 7.2862 7.4540 7.4698 7.5608 7.6029 7.7166 7.7369 7.8355 7.8388 7.9223 7.9603 7.9813 8.0131 8.4106 8.4327 k = 0.5000-1.1474-1.7470 ( 4378 PWs) bands (ev): -6.0932 -6.0913 -5.7288 -5.7240 -4.5115 -4.5103 -4.2400 -4.2393 1.5617 1.5663 2.0098 2.0289 2.1537 2.1587 2.2286 2.2366 2.6748 2.6872 3.2229 3.2255 3.4467 3.4547 3.7324 3.7429 3.9954 4.0255 4.3131 4.3434 5.4253 5.4364 5.9368 5.9520 6.4957 6.5562 6.5620 6.6628 6.7944 6.7945 6.9675 6.9772 7.0519 7.0900 7.2722 7.2784 7.4549 7.4705 7.5641 7.6110 7.7227 7.7486 7.8436 7.8528 7.9257 7.9566 7.9750 8.0082 8.3926 8.4164 k = 0.5000-1.1287-1.7790 ( 4376 PWs) bands (ev): -6.0884 -6.0864 -5.7253 -5.7204 -4.5055 -4.5043 -4.2390 -4.2382 1.6115 1.6175 2.0371 2.0585 2.1275 2.1351 2.1944 2.1997 2.6255 2.6400 3.2435 3.2469 3.4256 3.4345 3.7475 3.7591 3.9764 4.0068 4.2811 4.3132 5.4345 5.4461 5.9270 5.9423 6.5107 6.5642 6.5779 6.6680 6.7744 6.7793 6.9604 6.9713 7.0511 7.0945 7.2676 7.2713 7.4553 7.4713 7.5660 7.6169 7.7274 7.7579 7.8480 7.8642 7.9267 7.9545 7.9705 8.0104 8.3776 8.4028 k = 0.5000-1.1099-1.8109 ( 4374 PWs) bands (ev): -6.0844 -6.0823 -5.7224 -5.7175 -4.5001 -4.4989 -4.2386 -4.2378 1.6605 1.6687 2.0531 2.0739 2.0794 2.0929 2.1919 2.1969 2.5828 2.5998 3.2634 3.2673 3.4044 3.4143 3.7599 3.7721 3.9620 3.9923 4.2546 4.2884 5.4435 5.4554 5.9183 5.9336 6.5244 6.5670 6.5992 6.6728 6.7537 6.7654 6.9541 6.9663 7.0510 7.0989 7.2629 7.2659 7.4555 7.4721 7.5668 7.6211 7.7305 7.7645 7.8484 7.8713 7.9271 7.9554 7.9695 8.0163 8.3656 8.3920 k = 0.5000-1.0912-1.8429 ( 4376 PWs) bands (ev): -6.0813 -6.0792 -5.7205 -5.7155 -4.4954 -4.4942 -4.2388 -4.2381 1.7067 1.7184 2.0092 2.0259 2.0838 2.1073 2.1954 2.2024 2.5492 2.5687 3.2813 3.2855 3.3840 3.3952 3.7688 3.7813 3.9523 3.9821 4.2346 4.2698 5.4521 5.4644 5.9107 5.9258 6.5359 6.5694 6.6203 6.6768 6.7328 6.7537 6.9491 6.9624 7.0512 7.1027 7.2581 7.2625 7.4556 7.4728 7.5667 7.6236 7.7319 7.7681 7.8454 7.8726 7.9294 7.9572 7.9739 8.0237 8.3567 8.3838 k = 0.5000-1.0724-1.8749 ( 4368 PWs) bands (ev): -6.0792 -6.0771 -5.7195 -5.7145 -4.4915 -4.4903 -4.2399 -4.2391 1.7446 1.7618 1.9610 1.9828 2.0945 2.1201 2.1991 2.2082 2.5274 2.5489 3.2947 3.2991 3.3668 3.3795 3.7739 3.7860 3.9472 3.9763 4.2220 4.2582 5.4606 5.4731 5.9041 5.9191 6.5440 6.5711 6.6395 6.6798 6.7133 6.7453 6.9458 6.9600 7.0516 7.1054 7.2547 7.2606 7.4556 7.4733 7.5662 7.6248 7.7319 7.7690 7.8401 7.8689 7.9330 7.9597 7.9818 8.0321 8.3507 8.3783 k = 0.5000-1.0537-1.9069 ( 4370 PWs) bands (ev): -6.0782 -6.0761 -5.7195 -5.7145 -4.4885 -4.4872 -4.2417 -4.2409 1.7627 1.7846 1.9363 1.9628 2.0983 2.1251 2.2014 2.2118 2.5199 2.5421 3.2984 3.3031 3.3581 3.3721 3.7752 3.7865 3.9463 3.9745 4.2172 4.2539 5.4688 5.4815 5.8984 5.9133 6.5475 6.5716 6.6505 6.6814 6.7016 6.7416 6.9447 6.9591 7.0517 7.1065 7.2534 7.2600 7.4556 7.4733 7.5651 7.6249 7.7306 7.7677 7.8338 7.8623 7.9356 7.9622 7.9918 8.0414 8.3476 8.3753 k = 0.5000-1.0349-1.9389 ( 4362 PWs) bands (ev): -6.0784 -6.0763 -5.7207 -5.7157 -4.4863 -4.4851 -4.2443 -4.2436 1.7513 1.7700 1.9528 1.9762 2.0949 2.1219 2.2023 2.2128 2.5270 2.5484 3.2894 3.2950 3.3612 3.3752 3.7734 3.7837 3.9489 3.9767 4.2203 4.2567 5.4770 5.4898 5.8937 5.9084 6.5458 6.5707 6.6429 6.6794 6.7100 6.7435 6.9459 6.9601 7.0515 7.1057 7.2545 7.2607 7.4556 7.4728 7.5640 7.6240 7.7283 7.7645 7.8272 7.8545 7.9360 7.9634 8.0032 8.0516 8.3472 8.3747 k = 0.8282-0.9853-1.8503 ( 4362 PWs) bands (ev): -6.0784 -6.0763 -5.7207 -5.7157 -4.4863 -4.4851 -4.2443 -4.2436 1.7513 1.7700 1.9528 1.9762 2.0949 2.1219 2.2023 2.2128 2.5270 2.5484 3.2894 3.2950 3.3612 3.3752 3.7734 3.7837 3.9489 3.9767 4.2203 4.2567 5.4770 5.4898 5.8937 5.9084 6.5458 6.5707 6.6429 6.6794 6.7100 6.7435 6.9459 6.9601 7.0515 7.1057 7.2545 7.2607 7.4556 7.4728 7.5640 7.6240 7.7283 7.7645 7.8272 7.8545 7.9360 7.9634 8.0032 8.0516 8.3472 8.3747 k = 0.8227-0.9673-1.8182 ( 4366 PWs) bands (ev): -6.0799 -6.0779 -5.7230 -5.7180 -4.4852 -4.4839 -4.2478 -4.2471 1.7198 1.7329 1.9948 2.0132 2.0856 2.1114 2.2029 2.2126 2.5466 2.5663 3.2731 3.2796 3.3702 3.3841 3.7692 3.7787 3.9548 3.9824 4.2307 4.2663 5.4852 5.4981 5.8899 5.9043 6.5384 6.5684 6.6234 6.6759 6.7293 6.7509 6.9494 6.9630 7.0507 7.1028 7.2579 7.2628 7.4554 7.4715 7.5627 7.6224 7.7254 7.7599 7.8208 7.8462 7.9339 7.9623 8.0153 8.0626 8.3491 8.3763 k = 0.8171-0.9493-1.7861 ( 4364 PWs) bands (ev): -6.0828 -6.0808 -5.7266 -5.7217 -4.4851 -4.4839 -4.2523 -4.2516 1.6814 1.6909 2.0393 2.0574 2.0773 2.0987 2.2043 2.2130 2.5758 2.5933 3.2549 3.2620 3.3799 3.3939 3.7636 3.7724 3.9639 3.9916 4.2475 4.2819 5.4933 5.5063 5.8870 5.9011 6.5262 6.5650 6.6002 6.6711 6.7514 6.7629 6.9550 6.9677 7.0498 7.0981 7.2634 7.2666 7.4550 7.4694 7.5615 7.6202 7.7220 7.7545 7.8146 7.8379 7.9293 7.9583 8.0277 8.0743 8.3532 8.3797 k = 0.8115-0.9314-1.7540 ( 4362 PWs) bands (ev): -6.0871 -6.0851 -5.7315 -5.7266 -4.4862 -4.4850 -4.2577 -4.2570 1.6426 1.6498 2.0438 2.0666 2.1081 2.1185 2.2089 2.2166 2.6115 2.6270 3.2368 3.2442 3.3887 3.4030 3.7574 3.7659 3.9764 4.0044 4.2695 4.3026 5.5016 5.5145 5.8848 5.8986 6.5103 6.5601 6.5763 6.6647 6.7738 6.7783 6.9623 6.9740 7.0489 7.0920 7.2696 7.2729 7.4543 7.4664 7.5606 7.6178 7.7184 7.7484 7.8085 7.8298 7.9224 7.9515 8.0401 8.0865 8.3590 8.3848 k = 0.8060-0.9134-1.7218 ( 4370 PWs) bands (ev): -6.0929 -6.0909 -5.7378 -5.7329 -4.4885 -4.4872 -4.2641 -4.2633 1.6059 1.6117 2.0275 2.0486 2.1490 2.1564 2.2247 2.2313 2.6517 2.6654 3.2195 3.2271 3.3959 3.4106 3.7515 3.7597 3.9923 4.0206 4.2957 4.3275 5.5100 5.5229 5.8835 5.8968 6.4917 6.5477 6.5585 6.6569 6.7947 6.7969 6.9703 6.9817 7.0487 7.0852 7.2759 7.2817 7.4531 7.4622 7.5599 7.6153 7.7144 7.7422 7.8024 7.8220 7.9136 7.9421 8.0525 8.0989 8.3661 8.3911 k = 0.8004-0.8954-1.6897 ( 4368 PWs) bands (ev): -6.1003 -6.0983 -5.7455 -5.7407 -4.4921 -4.4908 -4.2714 -4.2707 1.5726 1.5774 2.0100 2.0293 2.1684 2.1744 2.2634 2.2701 2.6949 2.7072 3.2034 3.2112 3.4017 3.4167 3.7464 3.7544 4.0117 4.0401 4.3251 4.3557 5.5186 5.5314 5.8828 5.8957 6.4716 6.5237 6.5513 6.6482 6.8136 6.8176 6.9785 6.9902 7.0498 7.0786 7.2830 7.2919 7.4516 7.4572 7.5595 7.6129 7.7101 7.7362 7.7958 7.8143 7.9034 7.9306 8.0650 8.1116 8.3740 8.3983 k = 0.7948-0.8774-1.6576 ( 4374 PWs) bands (ev): -6.1092 -6.1073 -5.7546 -5.7499 -4.4970 -4.4956 -4.2798 -4.2790 1.5433 1.5474 1.9940 2.0116 2.1720 2.1777 2.3179 2.3245 2.7400 2.7512 3.1889 3.1967 3.4064 3.4216 3.7427 3.7506 4.0343 4.0627 4.3571 4.3867 5.5274 5.5401 5.8828 5.8952 6.4504 6.4987 6.5448 6.6389 6.8324 6.8369 6.9858 6.9989 7.0529 7.0734 7.2909 7.3028 7.4498 7.4513 7.5596 7.6108 7.7053 7.7306 7.7886 7.8064 7.8922 7.9172 8.0776 8.1246 8.3822 8.4058 k = 0.7893-0.8594-1.6255 ( 4374 PWs) bands (ev): -6.1198 -6.1180 -5.7652 -5.7607 -4.5032 -4.5018 -4.2892 -4.2884 1.5183 1.5220 1.9805 1.9966 2.1699 2.1756 2.3779 2.3842 2.7862 2.7967 3.1761 3.1838 3.4105 3.4257 3.7406 3.7484 4.0598 4.0881 4.3911 4.4199 5.5364 5.5490 5.8834 5.8953 6.4286 6.4736 6.5382 6.6292 6.8508 6.8538 6.9921 7.0066 7.0571 7.0724 7.2994 7.3139 7.4446 7.4480 7.5600 7.6092 7.6999 7.7256 7.7806 7.7979 7.8806 7.9025 8.0905 8.1379 8.3904 8.4134 k = 0.7837-0.8415-1.5934 ( 4366 PWs) bands (ev): -6.1321 -6.1303 -5.7773 -5.7729 -4.5108 -4.5093 -4.2995 -4.2987 1.4979 1.5013 1.9699 1.9849 2.1651 2.1707 2.4400 2.4459 2.8329 2.8428 3.1652 3.1727 3.4145 3.4296 3.7405 3.7482 4.0879 4.1159 4.4268 4.4548 5.5457 5.5580 5.8845 5.8960 6.4067 6.4489 6.5316 6.6196 6.8670 6.8683 6.9980 7.0121 7.0612 7.0779 7.3082 7.3248 7.4377 7.4463 7.5609 7.6083 7.6940 7.7214 7.7721 7.7885 7.8689 7.8870 8.1038 8.1514 8.3981 8.4205 k = 0.7782-0.8235-1.5613 ( 4362 PWs) bands (ev): -6.1460 -6.1443 -5.7910 -5.7866 -4.5197 -4.5182 -4.3109 -4.3100 1.4823 1.4855 1.9628 1.9768 2.1583 2.1640 2.5029 2.5085 2.8791 2.8888 3.1566 3.1639 3.4190 3.4337 3.7426 3.7501 4.1181 4.1459 4.4636 4.4911 5.5551 5.5673 5.8862 5.8971 6.3849 6.4247 6.5253 6.6103 6.8764 6.8832 7.0042 7.0160 7.0669 7.0881 7.3170 7.3350 7.4309 7.4453 7.5624 7.6081 7.6874 7.7178 7.7629 7.7778 7.8572 7.8714 8.1176 8.1651 8.4049 8.4268 k = 0.7726-0.8055-1.5292 ( 4356 PWs) bands (ev): -6.1616 -6.1599 -5.8061 -5.8019 -4.5301 -4.5285 -4.3233 -4.3224 1.4715 1.4745 1.9595 1.9725 2.1499 2.1559 2.5663 2.5716 2.9234 2.9331 3.1511 3.1581 3.4244 3.4387 3.7471 3.7544 4.1500 4.1776 4.5015 4.5285 5.5647 5.5767 5.8883 5.8986 6.3635 6.4012 6.5193 6.6014 6.8813 6.8949 7.0102 7.0211 7.0749 7.0999 7.3256 7.3441 7.4246 7.4455 7.5645 7.6088 7.6803 7.7145 7.7533 7.7665 7.8452 7.8567 8.1317 8.1788 8.4105 8.4319 k = 0.7670-0.7875-1.4971 ( 4350 PWs) bands (ev): -6.1789 -6.1772 -5.8227 -5.8187 -4.5418 -4.5401 -4.3367 -4.3357 1.4656 1.4686 1.9599 1.9722 2.1400 2.1464 2.6298 2.6347 2.9638 2.9736 3.1507 3.1571 3.4312 3.4450 3.7542 3.7613 4.1833 4.2106 4.5400 4.5668 5.5743 5.5862 5.8909 5.9006 6.3428 6.3785 6.5140 6.5932 6.8822 6.9021 7.0159 7.0301 7.0841 7.1119 7.3335 7.3518 7.4194 7.4476 7.5673 7.6101 7.6727 7.7111 7.7431 7.7552 7.8322 7.8441 8.1461 8.1923 8.4147 8.4357 k = 0.7615-0.7695-1.4649 ( 4348 PWs) bands (ev): -6.1977 -6.1961 -5.8408 -5.8369 -4.5549 -4.5531 -4.3510 -4.3500 1.4646 1.4676 1.9642 1.9760 2.1288 2.1357 2.6931 2.6977 2.9965 3.0062 3.1587 3.1642 3.4401 3.4530 3.7640 3.7709 4.2176 4.2447 4.5790 4.6056 5.5841 5.5957 5.8938 5.9029 6.3228 6.3568 6.5094 6.5858 6.8799 6.9044 7.0232 7.0413 7.0931 7.1231 7.3400 7.3582 7.4158 7.4519 7.5709 7.6123 7.6647 7.7067 7.7328 7.7451 7.8189 7.8334 8.1605 8.2053 8.4172 8.4378 k = 0.7559-0.7516-1.4328 ( 4352 PWs) bands (ev): -6.2182 -6.2166 -5.8604 -5.8566 -4.5693 -4.5674 -4.3663 -4.3652 1.4685 1.4715 1.9724 1.9838 2.1164 2.1241 2.7561 2.7604 3.0174 3.0263 3.1791 3.1832 3.4512 3.4632 3.7766 3.7832 4.2527 4.2795 4.6183 4.6448 5.5937 5.6052 5.8970 5.9056 6.3039 6.3363 6.5059 6.5794 6.8756 6.9023 7.0329 7.0529 7.1012 7.1326 7.3449 7.3636 7.4146 7.4583 7.5752 7.6149 7.6567 7.7002 7.7238 7.7366 7.8068 7.8242 8.1746 8.2172 8.4179 8.4382 k = 0.7503-0.7336-1.4007 ( 4354 PWs) bands (ev): -6.2402 -6.2387 -5.8813 -5.8776 -4.5850 -4.5831 -4.3825 -4.3814 1.4772 1.4802 1.9839 1.9955 2.1029 2.1121 2.8186 2.8227 3.0257 3.0334 3.2117 3.2148 3.4650 3.4759 3.7922 3.7986 4.2881 4.3148 4.6577 4.6842 5.6032 5.6147 5.9006 5.9086 6.2863 6.3172 6.5034 6.5740 6.8699 6.8972 7.0440 7.0641 7.1078 7.1399 7.3482 7.3687 7.4160 7.4664 7.5803 7.6172 7.6494 7.6912 7.7175 7.7293 7.7970 7.8161 8.1878 8.2275 8.4169 8.4371 k = 0.7448-0.7156-1.3686 ( 4352 PWs) bands (ev): -6.2637 -6.2622 -5.9035 -5.9000 -4.6020 -4.5999 -4.3996 -4.3984 1.4907 1.4937 1.9980 2.0106 2.0892 2.1006 2.8806 2.8843 3.0248 3.0314 3.2522 3.2556 3.4818 3.4914 3.8109 3.8170 4.3237 4.3502 4.6970 4.7236 5.6125 5.6239 5.9045 5.9120 6.2701 6.2995 6.5021 6.5699 6.8635 6.8903 7.0554 7.0739 7.1124 7.1446 7.3509 7.3741 7.4197 7.4752 7.5860 7.6174 7.6449 7.6814 7.7128 7.7236 7.7904 7.8093 8.1997 8.2358 8.4142 8.4345 k = 0.7392-0.6976-1.3365 ( 4350 PWs) bands (ev): -6.2886 -6.2872 -5.9270 -5.9237 -4.6201 -4.6180 -4.4176 -4.4164 1.5087 1.5119 2.0121 2.0269 2.0772 2.0922 2.9418 2.9450 3.0180 3.0240 3.2970 3.3013 3.5016 3.5099 3.8326 3.8385 4.3591 4.3855 4.7361 4.7628 5.6215 5.6328 5.9088 5.9157 6.2555 6.2834 6.5021 6.5669 6.8570 6.8825 7.0660 7.0819 7.1147 7.1463 7.3540 7.3804 7.4249 7.4837 7.5919 7.6139 7.6447 7.6731 7.7088 7.7202 7.7872 7.8044 8.2097 8.2414 8.4104 8.4309 k = 0.7336-0.6796-1.3044 ( 4348 PWs) bands (ev): -6.3148 -6.3135 -5.9517 -5.9486 -4.6394 -4.6372 -4.4364 -4.4351 1.5311 1.5345 2.0199 2.0346 2.0770 2.0932 2.9985 3.0001 3.0099 3.0191 3.3441 3.3495 3.5246 3.5314 3.8574 3.8631 4.3943 4.4206 4.7746 4.8015 5.6299 5.6412 5.9134 5.9199 6.2427 6.2691 6.5034 6.5652 6.8506 6.8745 7.0750 7.0878 7.1145 7.1450 7.3584 7.3880 7.4309 7.4905 7.5972 7.6091 7.6469 7.6674 7.7064 7.7197 7.7871 7.8015 8.2173 8.2439 8.4059 8.4267 k = 0.7281-0.6617-1.2723 ( 4342 PWs) bands (ev): -6.3423 -6.3410 -5.9776 -5.9746 -4.6597 -4.6574 -4.4560 -4.4547 1.5576 1.5613 2.0159 2.0250 2.0977 2.1092 2.9930 2.9956 3.0628 3.0677 3.3923 3.3990 3.5509 3.5561 3.8852 3.8908 4.4289 4.4551 4.8126 4.8397 5.6376 5.6491 5.9185 5.9245 6.2318 6.2567 6.5060 6.5646 6.8448 6.8666 7.0817 7.0916 7.1119 7.1409 7.3647 7.3967 7.4367 7.4940 7.6000 7.6079 7.6493 7.6639 7.7081 7.7225 7.7896 7.8011 8.2219 8.2429 8.4013 8.4224 k = 0.7225-0.6437-1.2402 ( 4338 PWs) bands (ev): -6.3709 -6.3697 -6.0044 -6.0016 -4.6809 -4.6786 -4.4763 -4.4750 1.5878 1.5919 2.0037 2.0091 2.1285 2.1368 2.9774 2.9799 3.1215 3.1258 3.4411 3.4490 3.5802 3.5838 3.9161 3.9217 4.4628 4.4889 4.8497 4.8770 5.6446 5.6564 5.9239 5.9297 6.2230 6.2463 6.5099 6.5654 6.8398 6.8592 7.0855 7.0934 7.1069 7.1342 7.3732 7.4058 7.4423 7.4932 7.6004 7.6125 7.6522 7.6612 7.7153 7.7287 7.7942 7.8033 8.2229 8.2382 8.3969 8.4184 k = 0.7170-0.6257-1.2081 ( 4342 PWs) bands (ev): -6.4006 -6.3994 -6.0323 -6.0296 -4.7031 -4.7006 -4.4973 -4.4959 1.6211 1.6257 1.9881 1.9919 2.1648 2.1713 2.9598 2.9620 3.1793 3.1834 3.4902 3.4994 3.6125 3.6143 3.9499 3.9555 4.4957 4.5218 4.8859 4.9135 5.6506 5.6628 5.9299 5.9354 6.2162 6.2379 6.5151 6.5672 6.8357 6.8527 7.0858 7.0936 7.1000 7.1253 7.3836 7.4129 7.4488 7.4885 7.6021 7.6202 7.6556 7.6596 7.7274 7.7387 7.8003 7.8082 8.2200 8.2300 8.3933 8.4150 k = 0.7114-0.6077-1.1759 ( 4352 PWs) bands (ev): -6.4312 -6.4301 -6.0610 -6.0584 -4.7260 -4.7235 -4.5190 -4.5176 1.6565 1.6617 1.9719 1.9755 2.2054 2.2108 2.9406 2.9425 3.2360 3.2400 3.5393 3.5498 3.6474 3.6476 3.9865 3.9923 4.5277 4.5537 4.9209 4.9487 5.6557 5.6682 5.9364 5.9417 6.2117 6.2316 6.5213 6.5701 6.8329 6.8472 7.0822 7.0918 7.0922 7.1147 7.3949 7.4157 7.4565 7.4839 7.6048 7.6313 7.6548 7.6652 7.7433 7.7520 7.8076 7.8157 8.2128 8.2189 8.3908 8.4123 k = 0.7058-0.5897-1.1438 ( 4348 PWs) bands (ev): -6.4626 -6.4616 -6.0904 -6.0880 -4.7496 -4.7471 -4.5412 -4.5398 1.6921 1.6981 1.9576 1.9619 2.2499 2.2544 2.9200 2.9217 3.2915 3.2956 3.5885 3.6003 3.6831 3.6847 4.0259 4.0319 4.5585 4.5844 4.9547 4.9828 5.6596 5.6727 5.9435 5.9488 6.2094 6.2276 6.5287 6.5741 6.8315 6.8430 7.0744 7.0839 7.0885 7.1031 7.4024 7.4161 7.4610 7.4886 7.6077 7.6455 7.6538 7.6749 7.7619 7.7682 7.8163 7.8257 8.2006 8.2063 8.3895 8.4104 k = 0.7003-0.5717-1.1117 ( 4346 PWs) bands (ev): -6.4948 -6.4938 -6.1205 -6.1183 -4.7738 -4.7713 -4.5640 -4.5625 1.7245 1.7314 1.9491 1.9544 2.2978 2.3016 2.8983 2.8998 3.3457 3.3499 3.6380 3.6510 3.7208 3.7237 4.0679 4.0742 4.5881 4.6139 4.9871 5.0154 5.6625 5.6761 5.9512 5.9565 6.2095 6.2258 6.5370 6.5790 6.8317 6.8403 7.0633 7.0756 7.0821 7.0914 7.3997 7.4162 7.4662 7.5043 7.6111 7.6540 7.6624 7.6871 7.7822 7.7861 7.8264 7.8383 8.1842 8.1924 8.3892 8.4092 k = 0.6947-0.5538-1.0796 ( 4346 PWs) bands (ev): -6.5276 -6.5266 -6.1512 -6.1491 -4.7986 -4.7960 -4.5872 -4.5857 1.7480 1.7553 1.9528 1.9586 2.3487 2.3520 2.8758 2.8772 3.3984 3.4028 3.6878 3.7018 3.7600 3.7642 4.1125 4.1192 4.6164 4.6421 5.0181 5.0466 5.6642 5.6784 5.9595 5.9650 6.2118 6.2262 6.5461 6.5848 6.8335 6.8392 7.0502 7.0652 7.0729 7.0806 7.3915 7.4102 7.4808 7.5249 7.6152 7.6562 7.6809 7.7014 7.8024 7.8054 7.8384 7.8539 8.1653 8.1766 8.3899 8.4087 k = 0.6891-0.5358-1.0475 ( 4356 PWs) bands (ev): -6.5609 -6.5599 -6.1823 -6.1803 -4.8237 -4.8211 -4.6107 -4.6093 1.7572 1.7639 1.9746 1.9798 2.4023 2.4050 2.8529 2.8543 3.4496 3.4541 3.7382 3.7528 3.8006 3.8055 4.1594 4.1666 4.6433 4.6689 5.0475 5.0762 5.6648 5.6795 5.9684 5.9741 6.2162 6.2289 6.5558 6.5913 6.8369 6.8398 7.0360 7.0521 7.0621 7.0701 7.3815 7.4001 7.5023 7.5483 7.6202 7.6602 7.7005 7.7173 7.8201 7.8255 7.8536 7.8727 8.1449 8.1592 8.3914 8.4088 k = 0.6836-0.5178-1.0154 ( 4352 PWs) bands (ev): -6.5945 -6.5936 -6.2137 -6.2119 -4.8492 -4.8466 -4.6346 -4.6332 1.7522 1.7575 2.0140 2.0180 2.4578 2.4599 2.8302 2.8318 3.4990 3.5038 3.7891 3.8039 3.8423 3.8475 4.2086 4.2164 4.6690 4.6945 5.0754 5.1043 5.6642 5.6795 5.9778 5.9838 6.2227 6.2338 6.5661 6.5986 6.8411 6.8432 7.0211 7.0376 7.0502 7.0588 7.3714 7.3892 7.5277 7.5736 7.6265 7.6664 7.7209 7.7344 7.8358 7.8431 7.8738 7.8949 8.1237 8.1411 8.3936 8.4096 k = 0.6780-0.4998-0.9833 ( 4354 PWs) bands (ev): -6.6285 -6.6276 -6.2454 -6.2438 -4.8749 -4.8723 -4.6588 -4.6573 1.7373 1.7414 2.0658 2.0686 2.5140 2.5155 2.8089 2.8108 3.5466 3.5517 3.8404 3.8544 3.8855 3.8899 4.2599 4.2683 4.6933 4.7187 5.1018 5.1308 5.6627 5.6783 5.9876 5.9940 6.2311 6.2410 6.5768 6.6065 6.8454 6.8499 7.0057 7.0224 7.0370 7.0463 7.3619 7.3787 7.5558 7.6004 7.6341 7.6749 7.7416 7.7522 7.8496 7.8574 7.8985 7.9199 8.1028 8.1232 8.3964 8.4109 k = 0.6725-0.4818-0.9512 ( 4356 PWs) bands (ev): -6.6626 -6.6617 -6.2773 -6.2757 -4.9008 -4.8982 -4.6831 -4.6816 1.7166 1.7198 2.1257 2.1275 2.5682 2.5689 2.7917 2.7941 3.5921 3.5975 3.8917 3.9027 3.9310 3.9333 4.3131 4.3222 4.7165 4.7417 5.1266 5.1558 5.6602 5.6762 5.9978 6.0047 6.2412 6.2504 6.5878 6.6150 6.8508 6.8584 6.9901 7.0072 7.0224 7.0328 7.3535 7.3695 7.5856 7.6278 7.6434 7.6861 7.7620 7.7703 7.8615 7.8700 7.9256 7.9465 8.0835 8.1069 8.3998 8.4129 k = 0.6669-0.4639-0.9190 ( 4352 PWs) bands (ev): -6.6967 -6.6958 -6.3092 -6.3077 -4.9267 -4.9241 -4.7075 -4.7060 1.6926 1.6951 2.1910 2.1921 2.6132 2.6137 2.7853 2.7883 3.6356 3.6413 3.9415 3.9472 3.9769 3.9819 4.3680 4.3779 4.7386 4.7637 5.1501 5.1794 5.6567 5.6730 6.0082 6.0158 6.2528 6.2621 6.5990 6.6242 6.8572 6.8681 6.9744 6.9926 7.0069 7.0184 7.3467 7.3617 7.6164 7.6525 7.6563 7.7008 7.7810 7.7887 7.8716 7.8813 7.9535 7.9738 8.0681 8.0939 8.4037 8.4155 k = 0.6613-0.4459-0.8869 ( 4350 PWs) bands (ev): -6.7307 -6.7299 -6.3410 -6.3397 -4.9526 -4.9500 -4.7319 -4.7305 1.6666 1.6685 2.2604 2.2610 2.6366 2.6376 2.8023 2.8057 3.6769 3.6828 3.9874 3.9887 4.0249 4.0352 4.4244 4.4351 4.7597 4.7846 5.1724 5.2017 5.6524 5.6690 6.0188 6.0270 6.2656 6.2757 6.6104 6.6339 6.8636 6.8781 6.9592 6.9794 6.9910 7.0034 7.3413 7.3555 7.6465 7.6663 7.6798 7.7202 7.7972 7.8071 7.8799 7.8921 7.9805 7.9997 8.0598 8.0867 8.4082 8.4188 k = 0.6558-0.4279-0.8548 ( 4344 PWs) bands (ev): -6.7646 -6.7638 -6.3726 -6.3714 -4.9784 -4.9758 -4.7563 -4.7549 1.6393 1.6408 2.3329 2.3332 2.6351 2.6363 2.8466 2.8495 3.7159 3.7220 4.0265 4.0297 4.0770 4.0906 4.4821 4.4936 4.7800 4.8048 5.1935 5.2229 5.6474 5.6641 6.0295 6.0385 6.2797 6.2912 6.6220 6.6442 6.8685 6.8862 6.9456 6.9691 6.9757 6.9889 7.3375 7.3507 7.6706 7.6841 7.7008 7.7436 7.8104 7.8244 7.8872 7.9037 8.0038 8.0213 8.0638 8.0888 8.4133 8.4227 k = 0.6502-0.4099-0.8227 ( 4344 PWs) bands (ev): -6.7982 -6.7974 -6.4040 -6.4029 -5.0040 -5.0015 -4.7805 -4.7792 1.6113 1.6125 2.4072 2.4083 2.6196 2.6215 2.9068 2.9092 3.7525 3.7589 4.0629 4.0675 4.1321 4.1474 4.5408 4.5531 4.7997 4.8243 5.2136 5.2431 5.6416 5.6584 6.0401 6.0500 6.2949 6.3080 6.6339 6.6551 6.8694 6.8878 6.9355 6.9608 6.9637 6.9780 7.3351 7.3474 7.6849 7.7052 7.7197 7.7668 7.8234 7.8396 7.8964 7.9182 8.0215 8.0381 8.0809 8.1029 8.4190 8.4274 k = 0.6446-0.3919-0.7906 ( 4338 PWs) bands (ev): -6.8314 -6.8306 -6.4351 -6.4341 -5.0294 -5.0268 -4.8046 -4.8032 1.5828 1.5838 2.4817 2.4850 2.5987 2.6029 2.9745 2.9764 3.7868 3.7933 4.0973 4.1025 4.1887 4.2050 4.6001 4.6132 4.8191 4.8435 5.2330 5.2626 5.6352 5.6521 6.0507 6.0614 6.3112 6.3260 6.6459 6.6664 6.8646 6.8796 6.9271 6.9471 6.9634 6.9774 7.3341 7.3454 7.6929 7.7164 7.7388 7.7840 7.8427 7.8562 7.9106 7.9365 8.0372 8.0528 8.1058 8.1265 8.4254 8.4329 k = 0.6391-0.3740-0.7585 ( 4336 PWs) bands (ev): -6.8641 -6.8634 -6.4657 -6.4648 -5.0543 -5.0519 -4.8284 -4.8270 1.5542 1.5550 2.5413 2.5527 2.5860 2.5984 3.0461 3.0475 3.8186 3.8252 4.1296 4.1351 4.2463 4.2630 4.6598 4.6736 4.8382 4.8624 5.2519 5.2815 5.6283 5.6452 6.0611 6.0728 6.3283 6.3448 6.6582 6.6783 6.8547 6.8646 6.9155 6.9319 6.9728 6.9869 7.3343 7.3446 7.6915 7.7134 7.7575 7.7981 7.8700 7.8796 7.9294 7.9587 8.0547 8.0681 8.1342 8.1548 8.4327 8.4392 k = 0.6335-0.3560-0.7264 ( 4324 PWs) bands (ev): -6.8962 -6.8956 -6.4958 -6.4949 -5.0789 -5.0765 -4.8518 -4.8505 1.5256 1.5262 2.5384 2.5433 2.6509 2.6569 3.1199 3.1211 3.8481 3.8547 4.1600 4.1653 4.3042 4.3213 4.7195 4.7339 4.8576 4.8815 5.2703 5.3000 5.6208 5.6377 6.0714 6.0841 6.3461 6.3641 6.6707 6.6905 6.8412 6.8468 6.9021 6.9163 6.9882 7.0022 7.3357 7.3447 7.6787 7.6976 7.7773 7.8160 7.9015 7.9103 7.9513 7.9846 8.0751 8.0855 8.1639 8.1848 8.4409 8.4464 k = 0.6279-0.3380-0.6943 ( 4326 PWs) bands (ev): -6.9277 -6.9271 -6.5253 -6.5245 -5.1030 -5.1006 -4.8748 -4.8736 1.4972 1.4977 2.5158 2.5184 2.7318 2.7357 3.1952 3.1961 3.8751 3.8817 4.1882 4.1933 4.3623 4.3794 4.7787 4.7933 4.8776 4.9008 5.2885 5.3182 5.6129 5.6297 6.0815 6.0952 6.3645 6.3837 6.6832 6.7030 6.8258 6.8283 6.8883 6.9009 7.0067 7.0208 7.3379 7.3457 7.6571 7.6734 7.7992 7.8379 7.9342 7.9451 7.9753 8.0138 8.0980 8.1053 8.1937 8.2154 8.4500 8.4547 k = 0.6224-0.3200-0.6622 ( 4332 PWs) bands (ev): -6.9584 -6.9578 -6.5541 -6.5534 -5.1265 -5.1242 -4.8974 -4.8962 1.4692 1.4696 2.4910 2.4927 2.8145 2.8176 3.2712 3.2719 3.8998 3.9063 4.2142 4.2191 4.4200 4.4371 4.8367 4.8503 4.8997 4.9210 5.3066 5.3363 5.6045 5.6213 6.0915 6.1060 6.3831 6.4032 6.6956 6.7155 6.8086 6.8106 6.8747 6.8860 7.0272 7.0414 7.3410 7.3474 7.6298 7.6442 7.8234 7.8626 7.9665 7.9817 8.0013 8.0460 8.1229 8.1278 8.2231 8.2459 8.4601 8.4642 k = 0.6168-0.3020-0.6300 ( 4340 PWs) bands (ev): -6.9884 -6.9878 -6.5821 -6.5815 -5.1494 -5.1471 -4.9194 -4.9182 1.4416 1.4419 2.4657 2.4670 2.8978 2.9005 3.3476 3.3481 3.9221 3.9286 4.2381 4.2425 4.4772 4.4942 4.8914 4.8983 4.9303 4.9438 5.3248 5.3545 5.5959 5.6127 6.1012 6.1167 6.4018 6.4225 6.7074 6.7276 6.7906 6.7940 6.8616 6.8718 7.0490 7.0634 7.3449 7.3498 7.5991 7.6122 7.8494 7.8889 7.9979 8.0177 8.0302 8.0805 8.1482 8.1541 8.2518 8.2763 8.4711 8.4750 k = 0.6113-0.2840-0.5979 ( 4346 PWs) bands (ev): -7.0174 -7.0168 -6.6093 -6.6087 -5.1716 -5.1694 -4.9408 -4.9396 1.4146 1.4149 2.4407 2.4416 2.9812 2.9838 3.4240 3.4243 3.9422 3.9485 4.2597 4.2638 4.5337 4.5504 4.9260 4.9391 4.9718 4.9813 5.3432 5.3729 5.5870 5.6038 6.1108 6.1272 6.4204 6.4414 6.7181 6.7389 6.7735 6.7784 6.8493 6.8585 7.0718 7.0861 7.3496 7.3527 7.5664 7.5787 7.8767 7.9163 8.0291 8.0498 8.0641 8.1162 8.1742 8.1837 8.2797 8.3063 8.4831 8.4873 k = 0.6057-0.2661-0.5658 ( 4340 PWs) bands (ev): -7.0454 -7.0448 -6.6356 -6.6351 -5.1931 -5.1910 -4.9615 -4.9604 1.3883 1.3886 2.4161 2.4168 3.0645 3.0669 3.4999 3.5001 3.9602 3.9662 4.2792 4.2829 4.5892 4.6055 4.9488 4.9684 5.0189 5.0342 5.3619 5.3915 5.5780 5.5948 6.1202 6.1375 6.4388 6.4596 6.7264 6.7463 6.7600 6.7646 6.8382 6.8466 7.0951 7.1094 7.3548 7.3562 7.5330 7.5446 7.9050 7.9441 8.0606 8.0797 8.1004 8.1520 8.2015 8.2152 8.3070 8.3361 8.4960 8.5010 k = 0.6001-0.2481-0.5337 ( 4338 PWs) bands (ev): -7.0724 -7.0718 -6.6609 -6.6604 -5.2138 -5.2117 -4.9815 -4.9805 1.3629 1.3630 2.3921 2.3926 3.1471 3.1494 3.5750 3.5751 3.9760 3.9819 4.2966 4.2998 4.6434 4.6593 4.9703 4.9910 5.0707 5.0877 5.3808 5.4102 5.5689 5.5858 6.1296 6.1476 6.4567 6.4770 6.7290 6.7382 6.7534 6.7623 6.8289 6.8365 7.1186 7.1326 7.3585 7.3619 7.5000 7.5107 7.9340 7.9720 8.0926 8.1093 8.1368 8.1872 8.2302 8.2481 8.3341 8.3657 8.5096 8.5158 k = 0.5946-0.2301-0.5016 ( 4340 PWs) bands (ev): -7.0982 -7.0977 -6.6852 -6.6847 -5.2336 -5.2317 -5.0008 -4.9998 1.3383 1.3384 2.3688 2.3693 3.2286 3.2309 3.6488 3.6490 3.9900 3.9955 4.3119 4.3147 4.6962 4.7116 4.9915 5.0121 5.1222 5.1397 5.4000 5.4292 5.5598 5.5769 6.1388 6.1575 6.4739 6.4935 6.7221 6.7258 6.7495 6.7662 6.8225 6.8288 7.1417 7.1555 7.3607 7.3689 7.4691 7.4778 7.9634 7.9997 8.1252 8.1389 8.1727 8.2211 8.2604 8.2814 8.3613 8.3953 8.5241 8.5314 k = 0.5890-0.2121-0.4695 ( 4338 PWs) bands (ev): -7.1229 -7.1225 -6.7084 -6.7080 -5.2526 -5.2507 -5.0192 -5.0182 1.3146 1.3148 2.3465 2.3469 3.3087 3.3110 3.7210 3.7214 4.0021 4.0074 4.3253 4.3278 4.7473 4.7621 5.0124 5.0326 5.1723 5.1899 5.4193 5.4481 5.5510 5.5684 6.1480 6.1673 6.4903 6.5090 6.7103 6.7143 6.7469 6.7660 6.8197 6.8241 7.1640 7.1775 7.3599 7.3762 7.4426 7.4479 7.9930 8.0271 8.1575 8.1677 8.2084 8.2536 8.2921 8.3146 8.3891 8.4247 8.5392 8.5476 k = 0.5834-0.1941-0.4374 ( 4344 PWs) bands (ev): -7.1464 -7.1460 -6.7305 -6.7301 -5.2706 -5.2688 -5.0367 -5.0358 1.2921 1.2922 2.3251 2.3254 3.3869 3.3892 3.7913 3.7919 4.0125 4.0175 4.3369 4.3390 4.7966 4.8107 5.0330 5.0525 5.2205 5.2378 5.4386 5.4668 5.5425 5.5604 6.1573 6.1770 6.5058 6.5234 6.6986 6.7032 6.7421 6.7610 6.8199 6.8215 7.1847 7.1978 7.3523 7.3809 7.4209 7.4297 8.0226 8.0541 8.1886 8.1950 8.2444 8.2851 8.3248 8.3474 8.4177 8.4538 8.5548 8.5639 k = 0.5779-0.1762-0.4053 ( 4352 PWs) bands (ev): -7.1686 -7.1682 -6.7513 -6.7510 -5.2876 -5.2860 -5.0533 -5.0525 1.2706 1.2708 2.3048 2.3050 3.4629 3.4651 3.8594 3.8601 4.0214 4.0261 4.3468 4.3486 4.8438 4.8572 5.0532 5.0717 5.2667 5.2833 5.4572 5.4847 5.5350 5.5535 6.1666 6.1866 6.5202 6.5367 6.6880 6.6930 6.7350 6.7529 6.8193 6.8209 7.2027 7.2153 7.3371 7.3722 7.4147 7.4264 8.0520 8.0807 8.2167 8.2203 8.2812 8.3164 8.3584 8.3795 8.4470 8.4820 8.5709 8.5803 k = 0.5723-0.1582-0.3732 ( 4352 PWs) bands (ev): -7.1895 -7.1891 -6.7710 -6.7706 -5.3037 -5.3021 -5.0690 -5.0682 1.2504 1.2505 2.2856 2.2857 3.5362 3.5383 3.9248 3.9256 4.0290 4.0334 4.3551 4.3567 4.8888 4.9015 5.0727 5.0902 5.3106 5.3263 5.4743 5.4995 5.5306 5.5487 6.1761 6.1961 6.5334 6.5489 6.6785 6.6838 6.7266 6.7433 6.8162 6.8203 7.2168 7.2283 7.3201 7.3535 7.4243 7.4325 8.0810 8.1070 8.2399 8.2440 8.3189 8.3483 8.3924 8.4110 8.4763 8.5083 8.5879 8.5968 k = 0.5668-0.1402-0.3410 ( 4348 PWs) bands (ev): -7.2090 -7.2086 -6.7893 -6.7890 -5.3187 -5.3172 -5.0836 -5.0829 1.2314 1.2316 2.2675 2.2677 3.6063 3.6084 3.9871 3.9882 4.0354 4.0397 4.3622 4.3635 4.9315 4.9432 5.0914 5.1077 5.3521 5.3665 5.4879 5.5056 5.5347 5.5483 6.1857 6.2057 6.5455 6.5601 6.6702 6.6759 6.7174 6.7330 6.8109 6.8170 7.2256 7.2338 7.3080 7.3370 7.4391 7.4440 8.1097 8.1328 8.2589 8.2647 8.3570 8.3808 8.4266 8.4419 8.5047 8.5317 8.6060 8.6134 k = 0.5612-0.1222-0.3089 ( 4344 PWs) bands (ev): -7.2270 -7.2267 -6.8063 -6.8060 -5.3325 -5.3312 -5.0972 -5.0965 1.2137 1.2139 2.2507 2.2509 3.6729 3.6749 4.0404 4.0409 4.0473 4.0504 4.3680 4.3691 4.9716 4.9824 5.1091 5.1240 5.3908 5.4035 5.4946 5.5045 5.5461 5.5556 6.1956 6.2154 6.5564 6.5702 6.6628 6.6692 6.7082 6.7226 6.8027 6.8101 7.2281 7.2303 7.3047 7.3265 7.4564 7.4588 8.1377 8.1581 8.2747 8.2817 8.3947 8.4137 8.4606 8.4724 8.5313 8.5514 8.6251 8.6303 k = 0.5556-0.1042-0.2768 ( 4344 PWs) bands (ev): -7.2437 -7.2434 -6.8219 -6.8217 -5.3453 -5.3441 -5.1097 -5.1091 1.1974 1.1976 2.2352 2.2353 3.7354 3.7373 4.0450 4.0478 4.1023 4.1032 4.3728 4.3737 5.0089 5.0188 5.1256 5.1391 5.4254 5.4360 5.4944 5.5050 5.5596 5.5693 6.2058 6.2251 6.5660 6.5792 6.6564 6.6636 6.6993 6.7124 6.7913 6.7994 7.2211 7.2247 7.3076 7.3222 7.4752 7.4759 8.1649 8.1826 8.2879 8.2954 8.4312 8.4460 8.4938 8.5026 8.5553 8.5675 8.6440 8.6476 k = 0.5501-0.0863-0.2447 ( 4344 PWs) bands (ev): -7.2588 -7.2585 -6.8362 -6.8360 -5.3570 -5.3558 -5.1212 -5.1206 1.1825 1.1827 2.2211 2.2212 3.7935 3.7952 4.0485 4.0512 4.1536 4.1546 4.3767 4.3775 5.0434 5.0523 5.1409 5.1529 5.4516 5.4601 5.4960 5.5114 5.5749 5.5844 6.2163 6.2348 6.5742 6.5869 6.6509 6.6591 6.6909 6.7025 6.7770 6.7851 7.2107 7.2178 7.3126 7.3222 7.4939 7.4947 8.1910 8.2061 8.2987 8.3061 8.4655 8.4769 8.5250 8.5335 8.5758 8.5812 8.6613 8.6646 k = 0.5445-0.0683-0.2126 ( 4356 PWs) bands (ev): -7.2724 -7.2722 -6.8490 -6.8488 -5.3674 -5.3664 -5.1315 -5.1310 1.1691 1.1692 2.2083 2.2084 3.8467 3.8483 4.0514 4.0538 4.2006 4.2016 4.3798 4.3804 5.0748 5.0825 5.1548 5.1652 5.4629 5.4676 5.5124 5.5278 5.5906 5.5992 6.2271 6.2446 6.5810 6.5932 6.6460 6.6554 6.6834 6.6931 6.7603 6.7679 7.2015 7.2100 7.3178 7.3242 7.5124 7.5139 8.2155 8.2282 8.3077 8.3144 8.4966 8.5055 8.5529 8.5652 8.5894 8.5974 8.6765 8.6798 k = 0.5389-0.0503-0.1805 ( 4358 PWs) bands (ev): -7.2845 -7.2843 -6.8604 -6.8602 -5.3767 -5.3758 -5.1406 -5.1402 1.1572 1.1573 2.1969 2.1970 3.8947 3.8962 4.0537 4.0558 4.2430 4.2440 4.3822 4.3828 5.1029 5.1095 5.1675 5.1762 5.4637 5.4651 5.5373 5.5501 5.6059 5.6130 6.2381 6.2545 6.5864 6.5979 6.6418 6.6522 6.6769 6.6844 6.7422 6.7489 7.1941 7.2027 7.3225 7.3269 7.5303 7.5322 8.2382 8.2486 8.3151 8.3210 8.5243 8.5313 8.5764 8.5948 8.6000 8.6163 8.6893 8.6925 k = 0.5334-0.0323-0.1484 ( 4350 PWs) bands (ev): -7.2951 -7.2949 -6.8703 -6.8702 -5.3848 -5.3840 -5.1486 -5.1482 1.1468 1.1469 2.1871 2.1871 3.9371 3.9384 4.0556 4.0574 4.2805 4.2814 4.3842 4.3847 5.1276 5.1328 5.1789 5.1858 5.4604 5.4610 5.5619 5.5726 5.6205 5.6259 6.2492 6.2642 6.5906 6.6011 6.6379 6.6489 6.6716 6.6768 6.7241 6.7295 7.1886 7.1964 7.3264 7.3296 7.5471 7.5491 8.2585 8.2667 8.3214 8.3263 8.5485 8.5540 8.5938 8.6044 8.6269 8.6375 8.6997 8.7028 k = 0.5278-0.0143-0.1163 ( 4356 PWs) bands (ev): -7.3040 -7.3038 -6.8787 -6.8786 -5.3916 -5.3910 -5.1553 -5.1550 1.1379 1.1380 2.1786 2.1787 3.9735 3.9745 4.0571 4.0586 4.3126 4.3135 4.3857 4.3861 5.1485 5.1523 5.1891 5.1942 5.4558 5.4569 5.5835 5.5925 5.6340 5.6376 6.2602 6.2735 6.5936 6.6025 6.6339 6.6440 6.6675 6.6708 6.7073 6.7111 7.1846 7.1913 7.3296 7.3319 7.5620 7.5640 8.2758 8.2820 8.3272 8.3307 8.5692 8.5736 8.6051 8.6098 8.6539 8.6603 8.7082 8.7109 k = 0.5223 0.0037-0.0841 ( 4364 PWs) bands (ev): -7.3113 -7.3112 -6.8856 -6.8855 -5.3973 -5.3968 -5.1609 -5.1606 1.1306 1.1307 2.1717 2.1717 4.0035 4.0043 4.0585 4.0596 4.3393 4.3401 4.3869 4.3872 5.1654 5.1677 5.1983 5.2016 5.4516 5.4529 5.6013 5.6088 5.6462 5.6482 6.2708 6.2821 6.5958 6.6026 6.6290 6.6365 6.6649 6.6670 6.6934 6.6955 7.1818 7.1872 7.3322 7.3339 7.5748 7.5766 8.2897 8.2938 8.3327 8.3349 8.5867 8.5899 8.6121 8.6137 8.6775 8.6818 8.7150 8.7173 k = 0.5167 0.0216-0.0520 ( 4366 PWs) bands (ev): -7.3170 -7.3169 -6.8910 -6.8909 -5.4016 -5.4012 -5.1652 -5.1650 1.1250 1.1250 2.1663 2.1663 4.0268 4.0274 4.0599 4.0607 4.3602 4.3608 4.3879 4.3882 5.1780 5.1791 5.2064 5.2080 5.4482 5.4493 5.6151 5.6209 5.6568 5.6576 6.2805 6.2895 6.5973 6.6017 6.6231 6.6272 6.6637 6.6652 6.6832 6.6837 7.1800 7.1841 7.3341 7.3354 7.5852 7.5866 8.2997 8.3021 8.3380 8.3391 8.6007 8.6029 8.6164 8.6167 8.6969 8.6998 8.7207 8.7224 k = 0.5111 0.0396-0.0199 ( 4362 PWs) bands (ev): -7.3211 -7.3211 -6.8949 -6.8948 -5.4047 -5.4045 -5.1683 -5.1681 1.1209 1.1209 2.1624 2.1624 4.0427 4.0430 4.0619 4.0623 4.3749 4.3754 4.3890 4.3892 5.1863 5.1867 5.2128 5.2133 5.4456 5.4464 5.6249 5.6289 5.6650 5.6652 6.2886 6.2949 6.5984 6.6005 6.6169 6.6181 6.6635 6.6647 6.6761 6.6762 7.1791 7.1818 7.3356 7.3364 7.5928 7.5938 8.3061 8.3073 8.3427 8.3430 8.6111 8.6124 8.6186 8.6189 8.7110 8.7124 8.7255 8.7266 k = 0.5056 0.0576 0.0122 ( 4366 PWs) bands (ev): -7.3236 -7.3235 -6.8972 -6.8972 -5.4066 -5.4064 -5.1701 -5.1701 1.1185 1.1185 2.1601 2.1601 4.0507 4.0507 4.0647 4.0648 4.3827 4.3830 4.3907 4.3908 5.1908 5.1911 5.2169 5.2170 5.4442 5.4446 5.6310 5.6330 5.6702 5.6702 6.2946 6.2979 6.5991 6.5995 6.6117 6.6121 6.6641 6.6648 6.6718 6.6719 7.1789 7.1802 7.3365 7.3369 7.5975 7.5980 8.3095 8.3099 8.3458 8.3459 8.6174 8.6179 8.6201 8.6201 8.7187 8.7189 8.7295 8.7302 k = 0.5000 0.0756 0.0443 ( 4380 PWs) bands (ev): -7.3244 -7.3244 -6.8979 -6.8979 -5.4071 -5.4071 -5.1707 -5.1707 1.1177 1.1177 2.1593 2.1593 4.0526 4.0526 4.0662 4.0662 4.3847 4.3847 4.3920 4.3920 5.1923 5.1923 5.2183 5.2183 5.4438 5.4438 5.6336 5.6336 5.6719 5.6719 6.2978 6.2978 6.5991 6.5991 6.6097 6.6097 6.6647 6.6647 6.6703 6.6703 7.1792 7.1792 7.3369 7.3369 7.5993 7.5993 8.3106 8.3106 8.3469 8.3469 8.6193 8.6193 8.6208 8.6208 8.7207 8.7207 8.7316 8.7316 k = 0.5000 0.0756 0.0443 ( 4380 PWs) bands (ev): -7.3244 -7.3244 -6.8979 -6.8979 -5.4071 -5.4071 -5.1707 -5.1707 1.1177 1.1177 2.1593 2.1593 4.0526 4.0526 4.0662 4.0662 4.3847 4.3847 4.3920 4.3920 5.1923 5.1923 5.2183 5.2183 5.4438 5.4438 5.6336 5.6336 5.6719 5.6719 6.2978 6.2978 6.5991 6.5991 6.6097 6.6097 6.6647 6.6647 6.6703 6.6703 7.1792 7.1792 7.3369 7.3369 7.5993 7.5993 8.3106 8.3106 8.3469 8.3469 8.6193 8.6193 8.6208 8.6208 8.7207 8.7207 8.7316 8.7316 k = 0.4643 0.0702 0.0411 ( 4376 PWs) bands (ev): -7.3247 -7.3247 -6.8971 -6.8971 -5.4117 -5.4117 -5.1664 -5.1664 1.1118 1.1118 2.1689 2.1689 4.0527 4.0527 4.0663 4.0663 4.3847 4.3847 4.3919 4.3919 5.1926 5.1926 5.2184 5.2186 5.4275 5.4275 5.6334 5.6334 5.6715 5.6719 6.3089 6.3089 6.5990 6.5995 6.6099 6.6099 6.6647 6.6647 6.6702 6.6704 7.1795 7.1795 7.3366 7.3366 7.6021 7.6021 8.3108 8.3108 8.3460 8.3479 8.6189 8.6200 8.6208 8.6208 8.7194 8.7225 8.7315 8.7315 k = 0.4286 0.0648 0.0380 ( 4361 PWs) bands (ev): -7.3258 -7.3258 -6.8947 -6.8947 -5.4244 -5.4244 -5.1544 -5.1544 1.0951 1.0951 2.1968 2.1968 4.0528 4.0528 4.0664 4.0664 4.3844 4.3844 4.3916 4.3917 5.1932 5.1932 5.2190 5.2195 5.3818 5.3818 5.6327 5.6327 5.6706 5.6713 6.3394 6.3394 6.5989 6.6000 6.6105 6.6105 6.6649 6.6649 6.6701 6.6706 7.1804 7.1804 7.3357 7.3357 7.6104 7.6104 8.3113 8.3113 8.3451 8.3489 8.6187 8.6208 8.6208 8.6209 8.7184 8.7245 8.7314 8.7314 k = 0.3929 0.0594 0.0348 ( 4343 PWs) bands (ev): -7.3276 -7.3276 -6.8907 -6.8907 -5.4428 -5.4428 -5.1372 -5.1372 1.0695 1.0695 2.2407 2.2407 4.0530 4.0530 4.0666 4.0666 4.3840 4.3840 4.3912 4.3913 5.1943 5.1943 5.2200 5.2207 5.3133 5.3133 5.6317 5.6317 5.6693 5.6704 6.3827 6.3827 6.5990 6.6005 6.6115 6.6115 6.6650 6.6650 6.6700 6.6707 7.1817 7.1817 7.3345 7.3345 7.6241 7.6241 8.3122 8.3122 8.3444 8.3498 8.6188 8.6207 8.6207 8.6219 8.7178 8.7267 8.7311 8.7311 k = 0.3571 0.0540 0.0316 ( 4343 PWs) bands (ev): -7.3298 -7.3298 -6.8855 -6.8855 -5.4645 -5.4645 -5.1171 -5.1171 1.0378 1.0378 2.2975 2.2975 4.0532 4.0532 4.0668 4.0668 4.3834 4.3834 4.3906 4.3908 5.1955 5.1955 5.2214 5.2223 5.2291 5.2291 5.6303 5.6303 5.6676 5.6690 6.4316 6.4316 6.5992 6.6011 6.6131 6.6131 6.6652 6.6652 6.6699 6.6707 7.1833 7.1833 7.3328 7.3328 7.6426 7.6426 8.3133 8.3133 8.3438 8.3506 8.6192 8.6206 8.6206 8.6230 8.7177 8.7291 8.7308 8.7308 k = 0.3214 0.0486 0.0285 ( 4349 PWs) bands (ev): -7.3325 -7.3325 -6.8793 -6.8793 -5.4878 -5.4878 -5.0958 -5.0958 1.0026 1.0026 2.3642 2.3642 4.0534 4.0534 4.0670 4.0671 4.3827 4.3827 4.3900 4.3902 5.1347 5.1347 5.1975 5.1975 5.2231 5.2241 5.6287 5.6287 5.6657 5.6672 6.4803 6.4803 6.5995 6.6017 6.6159 6.6159 6.6655 6.6655 6.6698 6.6708 7.1852 7.1852 7.3308 7.3308 7.6654 7.6654 8.3146 8.3146 8.3434 8.3512 8.6200 8.6205 8.6205 8.6241 8.7179 8.7302 8.7302 8.7315 k = 0.2857 0.0432 0.0253 ( 4343 PWs) bands (ev): -7.3354 -7.3354 -6.8724 -6.8724 -5.5112 -5.5112 -5.0745 -5.0745 0.9663 0.9663 2.4377 2.4377 4.0537 4.0537 4.0673 4.0674 4.3820 4.3820 4.3892 4.3895 5.0355 5.0355 5.1993 5.1993 5.2251 5.2262 5.6269 5.6269 5.6636 5.6652 6.5241 6.5241 6.5999 6.6023 6.6208 6.6208 6.6662 6.6662 6.6697 6.6708 7.1874 7.1874 7.3288 7.3288 7.6917 7.6917 8.3161 8.3161 8.3432 8.3516 8.6205 8.6205 8.6210 8.6253 8.7186 8.7296 8.7297 8.7339 k = 0.2500 0.0378 0.0221 ( 4346 PWs) bands (ev): -7.3383 -7.3383 -6.8651 -6.8651 -5.5339 -5.5339 -5.0543 -5.0543 0.9309 0.9309 2.5149 2.5149 4.0540 4.0540 4.0676 4.0677 4.3812 4.3812 4.3885 4.3887 4.9347 4.9347 5.2013 5.2013 5.2272 5.2283 5.6249 5.6249 5.6613 5.6630 6.5581 6.5581 6.6004 6.6028 6.6301 6.6301 6.6676 6.6676 6.6696 6.6708 7.1896 7.1896 7.3268 7.3268 7.7202 7.7202 8.3176 8.3176 8.3432 8.3518 8.6205 8.6205 8.6222 8.6265 8.7196 8.7289 8.7289 8.7360 k = 0.2143 0.0324 0.0190 ( 4334 PWs) bands (ev): -7.3413 -7.3413 -6.8578 -6.8578 -5.5549 -5.5549 -5.0357 -5.0357 0.8977 0.8977 2.5932 2.5932 4.0543 4.0543 4.0679 4.0680 4.3803 4.3803 4.3877 4.3880 4.8359 4.8359 5.2033 5.2033 5.2294 5.2305 5.6230 5.6230 5.6591 5.6608 6.5788 6.5788 6.6009 6.6033 6.6442 6.6442 6.6697 6.6708 6.6719 6.6719 7.1918 7.1918 7.3249 7.3249 7.7496 7.7496 8.3192 8.3192 8.3434 8.3517 8.6206 8.6206 8.6237 8.6276 8.7211 8.7282 8.7282 8.7377 k = 0.1786 0.0270 0.0158 ( 4322 PWs) bands (ev): -7.3440 -7.3440 -6.8509 -6.8509 -5.5738 -5.5738 -5.0193 -5.0193 0.8681 0.8681 2.6694 2.6694 4.0546 4.0546 4.0682 4.0682 4.3794 4.3794 4.3870 4.3872 4.7421 4.7421 5.2053 5.2053 5.2315 5.2326 5.6212 5.6212 5.6571 5.6587 6.5890 6.5890 6.6016 6.6037 6.6549 6.6549 6.6698 6.6708 6.6839 6.6839 7.1940 7.1940 7.3232 7.3232 7.7784 7.7784 8.3207 8.3207 8.3438 8.3515 8.6207 8.6207 8.6252 8.6286 8.7230 8.7273 8.7273 8.7389 k = 0.1429 0.0216 0.0127 ( 4319 PWs) bands (ev): -7.3463 -7.3463 -6.8446 -6.8446 -5.5899 -5.5899 -5.0053 -5.0053 0.8427 0.8427 2.7401 2.7401 4.0549 4.0549 4.0685 4.0685 4.3785 4.3785 4.3864 4.3866 4.6570 4.6570 5.2070 5.2070 5.2335 5.2344 5.6195 5.6195 5.6553 5.6566 6.5939 6.5939 6.6022 6.6040 6.6588 6.6588 6.6699 6.6707 6.7014 6.7014 7.1958 7.1958 7.3217 7.3217 7.8049 7.8049 8.3220 8.3220 8.3443 8.3510 8.6208 8.6208 8.6266 8.6295 8.7252 8.7266 8.7266 8.7395 k = 0.1071 0.0162 0.0095 ( 4310 PWs) bands (ev): -7.3483 -7.3483 -6.8394 -6.8394 -5.6029 -5.6029 -4.9942 -4.9942 0.8224 0.8224 2.8016 2.8016 4.0551 4.0551 4.0687 4.0687 4.3776 4.3776 4.3859 4.3860 4.5844 4.5844 5.2085 5.2085 5.2351 5.2359 5.6181 5.6181 5.6538 5.6549 6.5964 6.5964 6.6027 6.6042 6.6602 6.6602 6.6700 6.6707 6.7175 6.7175 7.1974 7.1974 7.3207 7.3207 7.8274 7.8274 8.3232 8.3232 8.3450 8.3503 8.6210 8.6210 8.6280 8.6302 8.7259 8.7259 8.7276 8.7394 k = 0.0714 0.0108 0.0063 ( 4301 PWs) bands (ev): -7.3498 -7.3498 -6.8355 -6.8355 -5.6125 -5.6125 -4.9861 -4.9861 0.8076 0.8076 2.8499 2.8499 4.0553 4.0553 4.0689 4.0689 4.3765 4.3765 4.3855 4.3856 4.5286 4.5286 5.2096 5.2096 5.2364 5.2369 5.6170 5.6170 5.6528 5.6536 6.5979 6.5979 6.6033 6.6043 6.6608 6.6608 6.6701 6.6706 6.7296 6.7296 7.1986 7.1986 7.3198 7.3198 7.8446 7.8446 8.3240 8.3240 8.3459 8.3496 8.6211 8.6211 8.6291 8.6306 8.7253 8.7253 8.7301 8.7385 k = 0.0357 0.0054 0.0032 ( 4295 PWs) bands (ev): -7.3506 -7.3506 -6.8331 -6.8331 -5.6183 -5.6183 -4.9811 -4.9811 0.7985 0.7985 2.8808 2.8808 4.0554 4.0554 4.0690 4.0690 4.3756 4.3756 4.3853 4.3853 4.4934 4.4934 5.2103 5.2103 5.2373 5.2376 5.6164 5.6164 5.6522 5.6526 6.5987 6.5987 6.6037 6.6042 6.6611 6.6611 6.6703 6.6705 6.7370 6.7370 7.1993 7.1993 7.3193 7.3193 7.8555 7.8555 8.3245 8.3245 8.3468 8.3487 8.6212 8.6212 8.6299 8.6307 8.7249 8.7249 8.7327 8.7371 k = 0.0000 0.0000 0.0000 ( 4301 PWs) bands (ev): -7.3510 -7.3510 -6.8322 -6.8322 -5.6203 -5.6203 -4.9795 -4.9795 0.7955 0.7955 2.8915 2.8915 4.0554 4.0554 4.0690 4.0690 4.3751 4.3751 4.3852 4.3852 4.4814 4.4814 5.2105 5.2105 5.2377 5.2377 5.6161 5.6161 5.6522 5.6522 6.5989 6.5989 6.6040 6.6040 6.6612 6.6612 6.6704 6.6704 6.7394 6.7394 7.1996 7.1996 7.3191 7.3191 7.8591 7.8591 8.3247 8.3247 8.3477 8.3477 8.6212 8.6212 8.6305 8.6305 8.7248 8.7248 8.7350 8.7350 k = 0.0000 0.0000 0.0000 ( 4301 PWs) bands (ev): -7.3510 -7.3510 -6.8322 -6.8322 -5.6203 -5.6203 -4.9795 -4.9795 0.7955 0.7955 2.8915 2.8915 4.0554 4.0554 4.0690 4.0690 4.3751 4.3751 4.3852 4.3852 4.4814 4.4814 5.2105 5.2105 5.2377 5.2377 5.6161 5.6161 5.6522 5.6522 6.5989 6.5989 6.6040 6.6040 6.6612 6.6612 6.6704 6.6704 6.7394 6.7394 7.1996 7.1996 7.3191 7.3191 7.8591 7.8591 8.3247 8.3247 8.3477 8.3477 8.6212 8.6212 8.6305 8.6305 8.7248 8.7248 8.7350 8.7350 k = 0.0055-0.0178-0.0318 ( 4299 PWs) bands (ev): -7.3502 -7.3501 -6.8315 -6.8315 -5.6196 -5.6195 -4.9790 -4.9790 0.7964 0.7964 2.8920 2.8921 4.0535 4.0535 4.0674 4.0675 4.3711 4.3751 4.3835 4.3840 4.4800 4.4840 5.2092 5.2096 5.2365 5.2366 5.6149 5.6150 5.6508 5.6509 6.5971 6.6003 6.6039 6.6044 6.6606 6.6613 6.6702 6.6703 6.7371 6.7431 7.1999 7.2003 7.3180 7.3192 7.8576 7.8580 8.3240 8.3243 8.3471 8.3471 8.6190 8.6204 8.6286 8.6293 8.7228 8.7236 8.7336 8.7337 k = 0.0110-0.0356-0.0636 ( 4305 PWs) bands (ev): -7.3477 -7.3477 -6.8293 -6.8293 -5.6176 -5.6174 -4.9773 -4.9773 0.7991 0.7991 2.8936 2.8937 4.0457 4.0461 4.0646 4.0650 4.3611 4.3688 4.3807 4.3823 4.4800 4.4871 5.2055 5.2063 5.2330 5.2335 5.6109 5.6115 5.6468 5.6473 6.5954 6.5995 6.6031 6.6066 6.6594 6.6612 6.6697 6.6702 6.7365 6.7477 7.2011 7.2018 7.3157 7.3183 7.8535 7.8543 8.3221 8.3227 8.3451 8.3454 8.6110 8.6159 8.6243 8.6281 8.7166 8.7179 8.7305 8.7311 k = 0.0165-0.0534-0.0954 ( 4311 PWs) bands (ev): -7.3437 -7.3436 -6.8257 -6.8256 -5.6141 -5.6139 -4.9746 -4.9746 0.8036 0.8037 2.8962 2.8964 4.0301 4.0309 4.0625 4.0634 4.3447 4.3540 4.3796 4.3811 4.4811 4.4903 5.1991 5.2007 5.2271 5.2287 5.6041 5.6058 5.6399 5.6418 6.5935 6.5974 6.6018 6.6101 6.6573 6.6611 6.6692 6.6705 6.7377 6.7531 7.2033 7.2041 7.3123 7.3163 7.8471 7.8479 8.3189 8.3200 8.3418 8.3426 8.5968 8.6043 8.6207 8.6273 8.7049 8.7067 8.7270 8.7287 k = 0.0220-0.0712-0.1271 ( 4307 PWs) bands (ev): -7.3381 -7.3379 -6.8205 -6.8204 -5.6093 -5.6091 -4.9708 -4.9708 0.8099 0.8101 2.8999 2.9001 4.0074 4.0086 4.0611 4.0623 4.3226 4.3325 4.3788 4.3801 4.4827 4.4932 5.1897 5.1929 5.2190 5.2225 5.5941 5.5982 5.6305 5.6347 6.5910 6.5946 6.5999 6.6141 6.6541 6.6608 6.6694 6.6715 6.7405 6.7589 7.2061 7.2070 7.3078 7.3132 7.8386 7.8393 8.3142 8.3159 8.3370 8.3388 8.5776 8.5866 8.6169 8.6259 8.6885 8.6907 8.7232 8.7264 k = 0.0275-0.0890-0.1589 ( 4313 PWs) bands (ev): -7.3308 -7.3307 -6.8139 -6.8138 -5.6031 -5.6028 -4.9660 -4.9660 0.8180 0.8182 2.9045 2.9049 3.9781 3.9796 4.0596 4.0612 4.2952 4.3051 4.3779 4.3791 4.4845 4.4956 5.1770 5.1828 5.2090 5.2152 5.5808 5.5884 5.6185 5.6262 6.5872 6.5913 6.5975 6.6178 6.6502 6.6604 6.6708 6.6733 6.7445 6.7649 7.2094 7.2101 7.3022 7.3089 7.8281 7.8289 8.3076 8.3102 8.3308 8.3338 8.5544 8.5643 8.6112 8.6226 8.6682 8.6712 8.7188 8.7239 k = 0.0330-0.1068-0.1907 ( 4313 PWs) bands (ev): -7.3220 -7.3218 -6.8059 -6.8057 -5.5956 -5.5953 -4.9601 -4.9601 0.8279 0.8281 2.9102 2.9106 3.9427 3.9445 4.0580 4.0599 4.2629 4.2725 4.3767 4.3778 4.4860 4.4974 5.1613 5.1700 5.1974 5.2067 5.5643 5.5764 5.6046 5.6167 6.5822 6.5874 6.5947 6.6204 6.6468 6.6602 6.6735 6.6764 6.7495 6.7709 7.2126 7.2133 7.2953 7.3035 7.8159 7.8174 8.2990 8.3025 8.3230 8.3274 8.5281 8.5382 8.6022 8.6159 8.6450 8.6501 8.7135 8.7210 k = 0.0385-0.1246-0.2225 ( 4323 PWs) bands (ev): -7.3116 -7.3114 -6.7965 -6.7963 -5.5868 -5.5863 -4.9531 -4.9531 0.8395 0.8398 2.9169 2.9174 3.9014 3.9035 4.0561 4.0583 4.2257 4.2349 4.3751 4.3762 4.4872 4.4985 5.1427 5.1543 5.1848 5.1970 5.5448 5.5614 5.5895 5.6062 6.5762 6.5825 6.5912 6.6198 6.6458 6.6604 6.6769 6.6808 6.7552 6.7768 7.2151 7.2162 7.2875 7.2970 7.8023 7.8051 8.2879 8.2921 8.3133 8.3190 8.4996 8.5097 8.5881 8.6026 8.6211 8.6302 8.7074 8.7175 k = 0.0441-0.1424-0.2543 ( 4325 PWs) bands (ev): -7.2997 -7.2994 -6.7856 -6.7854 -5.5766 -5.5761 -4.9452 -4.9451 0.8529 0.8531 2.9244 2.9250 3.8546 3.8570 4.0536 4.0562 4.1839 4.1925 4.3730 4.3742 4.4878 4.4988 5.1215 5.1358 5.1713 5.1862 5.5223 5.5430 5.5742 5.5948 6.5696 6.5766 6.5869 6.6155 6.6480 6.6615 6.6813 6.6867 6.7613 6.7824 7.2166 7.2183 7.2790 7.2896 7.7881 7.7925 8.2741 8.2785 8.3016 8.3080 8.4702 8.4797 8.5671 8.5787 8.6007 8.6133 8.7005 8.7126 k = 0.0496-0.1602-0.2861 ( 4327 PWs) bands (ev): -7.2862 -7.2859 -6.7734 -6.7731 -5.5651 -5.5646 -4.9362 -4.9361 0.8679 0.8682 2.9329 2.9336 3.8027 3.8054 4.0506 4.0535 4.1378 4.1457 4.3704 4.3716 4.4877 4.4983 5.0978 5.1145 5.1570 5.1742 5.4972 5.5208 5.5592 5.5827 6.5622 6.5698 6.5816 6.6087 6.6522 6.6637 6.6866 6.6936 6.7675 6.7876 7.2162 7.2186 7.2705 7.2816 7.7738 7.7801 8.2572 8.2613 8.2872 8.2936 8.4410 8.4497 8.5404 8.5483 8.5824 8.5966 8.6932 8.7056 k = 0.0551-0.1780-0.3178 ( 4333 PWs) bands (ev): -7.2712 -7.2709 -6.7598 -6.7595 -5.5523 -5.5517 -4.9262 -4.9262 0.8846 0.8849 2.9422 2.9431 3.7461 3.7490 4.0469 4.0499 4.0875 4.0948 4.3670 4.3684 4.4866 4.4967 5.0720 5.0907 5.1420 5.1610 5.4696 5.4952 5.5446 5.5699 6.5543 6.5619 6.5753 6.6004 6.6575 6.6671 6.6927 6.7013 6.7738 6.7922 7.2131 7.2162 7.2632 7.2739 7.7596 7.7680 8.2364 8.2409 8.2698 8.2749 8.4127 8.4212 8.5100 8.5159 8.5633 8.5775 8.6862 8.6961 k = 0.0606-0.1958-0.3496 ( 4331 PWs) bands (ev): -7.2548 -7.2544 -6.7449 -6.7446 -5.5383 -5.5376 -4.9153 -4.9153 0.9029 0.9032 2.9523 2.9534 3.6851 3.6882 4.0323 4.0390 4.0426 4.0475 4.3629 4.3645 4.4842 4.4939 5.0443 5.0648 5.1264 5.1468 5.4398 5.4665 5.5303 5.5567 6.5460 6.5531 6.5682 6.5911 6.6635 6.6717 6.6995 6.7093 6.7799 6.7961 7.2063 7.2103 7.2579 7.2671 7.7460 7.7566 8.2111 8.2178 8.2491 8.2518 8.3854 8.3955 8.4769 8.4840 8.5421 8.5552 8.6798 8.6853 k = 0.0661-0.2136-0.3814 ( 4331 PWs) bands (ev): -7.2369 -7.2365 -6.7287 -6.7284 -5.5230 -5.5223 -4.9035 -4.9034 0.9228 0.9231 2.9632 2.9644 3.6201 3.6236 3.9750 3.9811 4.0371 4.0414 4.3578 4.3596 4.4804 4.4896 5.0149 5.0370 5.1100 5.1316 5.4080 5.4354 5.5161 5.5432 6.5372 6.5433 6.5603 6.5811 6.6703 6.6776 6.7063 6.7173 6.7860 6.7993 7.1956 7.2010 7.2545 7.2621 7.7333 7.7461 8.1814 8.1918 8.2244 8.2263 8.3586 8.3727 8.4421 8.4535 8.5183 8.5297 8.6741 8.6754 k = 0.0716-0.2314-0.4132 ( 4333 PWs) bands (ev): -7.2176 -7.2172 -6.7112 -6.7109 -5.5065 -5.5058 -4.8907 -4.8907 0.9442 0.9445 2.9746 2.9762 3.5516 3.5554 3.9138 3.9194 4.0306 4.0352 4.3515 4.3537 4.4747 4.4835 4.9841 5.0076 5.0931 5.1155 5.3744 5.4023 5.5021 5.5296 6.5279 6.5326 6.5517 6.5705 6.6777 6.6849 6.7128 6.7250 6.7921 6.8018 7.1823 7.1887 7.2519 7.2588 7.7214 7.7365 8.1482 8.1625 8.1960 8.2007 8.3317 8.3518 8.4070 8.4243 8.4916 8.5012 8.6654 8.6708 k = 0.0771-0.2492-0.4450 ( 4337 PWs) bands (ev): -7.1969 -7.1965 -6.6926 -6.6921 -5.4889 -5.4881 -4.8771 -4.8771 0.9671 0.9674 2.9866 2.9885 3.4800 3.4843 3.8496 3.8547 4.0230 4.0279 4.3440 4.3466 4.4667 4.4752 4.9523 4.9770 5.0756 5.0984 5.3396 5.3675 5.4884 5.5159 6.5182 6.5209 6.5424 6.5592 6.6855 6.6934 6.7183 6.7318 6.7984 6.8039 7.1674 7.1742 7.2494 7.2569 7.7103 7.7277 8.1125 8.1300 8.1672 8.1741 8.3044 8.3313 8.3725 8.3963 8.4622 8.4702 8.6580 8.6679 k = 0.0826-0.2670-0.4768 ( 4333 PWs) bands (ev): -7.1749 -7.1745 -6.6727 -6.6722 -5.4702 -5.4693 -4.8627 -4.8626 0.9914 0.9917 2.9990 3.0015 3.4058 3.4107 3.7828 3.7874 4.0140 4.0193 4.3350 4.3381 4.4560 4.4644 4.9198 4.9455 5.0573 5.0803 5.3041 5.3318 5.4749 5.5023 6.5077 6.5087 6.5325 6.5474 6.6937 6.7032 6.7224 6.7372 6.8054 6.8064 7.1519 7.1584 7.2471 7.2557 7.7001 7.7198 8.0753 8.0949 8.1389 8.1473 8.2766 8.3101 8.3390 8.3689 8.4299 8.4377 8.6523 8.6660 k = 0.0881-0.2848-0.5086 ( 4331 PWs) bands (ev): -7.1517 -7.1512 -6.6517 -6.6512 -5.4503 -5.4494 -4.8474 -4.8474 1.0170 1.0174 3.0114 3.0147 3.3295 3.3352 3.7137 3.7178 4.0037 4.0092 4.3244 4.3281 4.4420 4.4506 4.8869 4.9135 5.0382 5.0610 5.2687 5.2960 5.4617 5.4889 6.4949 6.4975 6.5221 6.5352 6.7011 6.7142 6.7252 6.7410 6.8096 6.8134 7.1360 7.1419 7.2449 7.2550 7.6905 7.7124 8.0373 8.0585 8.1114 8.1208 8.2482 8.2869 8.3074 8.3414 8.3951 8.4044 8.6480 8.6649 k = 0.0936-0.3026-0.5403 ( 4335 PWs) bands (ev): -7.1272 -7.1267 -6.6296 -6.6291 -5.4294 -5.4285 -4.8314 -4.8314 1.0439 1.0443 3.0232 3.0281 3.2517 3.2589 3.6425 3.6463 3.9918 3.9976 4.3119 4.3163 4.4244 4.4336 4.8540 4.8812 5.0177 5.0401 5.2345 5.2610 5.4488 5.4757 6.4808 6.4861 6.5111 6.5226 6.7051 6.7239 6.7291 6.7442 6.8147 6.8224 7.1200 7.1253 7.2432 7.2548 7.6816 7.7056 7.9993 8.0217 8.0845 8.0949 8.2198 8.2609 8.2780 8.3130 8.3584 8.3713 8.6451 8.6643 k = 0.0991-0.3204-0.5721 ( 4335 PWs) bands (ev): -7.1016 -7.1011 -6.6065 -6.6059 -5.4075 -5.4066 -4.8147 -4.8147 1.0720 1.0724 3.0323 3.0407 3.1736 3.1842 3.5698 3.5732 3.9782 3.9843 4.2974 4.3027 4.4028 4.4130 4.8211 4.8486 4.9955 5.0170 5.2027 5.2281 5.4362 5.4627 6.4660 6.4741 6.4998 6.5098 6.7037 6.7241 6.7411 6.7505 6.8218 6.8326 7.1037 7.1090 7.2420 7.2553 7.6731 7.6991 7.9618 7.9853 8.0583 8.0700 8.1915 8.2326 8.2502 8.2828 8.3207 8.3387 8.6431 8.6640 k = 0.1046-0.3382-0.6039 ( 4335 PWs) bands (ev): -7.0748 -7.0743 -6.5824 -6.5818 -5.3847 -5.3837 -4.7974 -4.7973 1.1012 1.1016 3.0292 3.0455 3.1023 3.1209 3.4958 3.4989 3.9628 3.9692 4.2808 4.2870 4.3770 4.3885 4.7883 4.8158 4.9710 4.9913 5.1746 5.1984 5.4239 5.4500 6.4506 6.4613 6.4880 6.4968 6.6975 6.7185 6.7555 6.7612 6.8307 6.8437 7.0871 7.0932 7.2418 7.2565 7.6650 7.6928 7.9252 7.9497 8.0327 8.0462 8.1636 8.2034 8.2224 8.2505 8.2830 8.3070 8.6419 8.6640 k = 0.1101-0.3560-0.6357 ( 4327 PWs) bands (ev): -7.0470 -7.0464 -6.5574 -6.5567 -5.3609 -5.3599 -4.7794 -4.7793 1.1315 1.1319 2.9858 2.9975 3.0835 3.0972 3.4209 3.4237 3.9457 3.9523 4.2619 4.2691 4.3469 4.3601 4.7552 4.7822 4.9442 4.9632 5.1510 5.1730 5.4118 5.4375 6.4347 6.4476 6.4761 6.4838 6.6881 6.7094 6.7711 6.7748 6.8411 6.8558 7.0705 7.0777 7.2427 7.2588 7.6573 7.6867 7.8899 7.9153 8.0077 8.0234 8.1362 8.1738 8.1944 8.2163 8.2463 8.2761 8.6414 8.6641 k = 0.1156-0.3738-0.6675 ( 4325 PWs) bands (ev): -7.0182 -7.0176 -6.5315 -6.5308 -5.3363 -5.3352 -4.7609 -4.7608 1.1626 1.1631 2.9138 2.9195 3.0942 3.1019 3.3456 3.3481 3.9266 3.9333 4.2405 4.2489 4.3129 4.3279 4.7213 4.7474 4.9153 4.9333 5.1322 5.1524 5.4000 5.4252 6.4184 6.4331 6.4639 6.4709 6.6765 6.6981 6.7872 6.7901 6.8525 6.8687 7.0539 7.0624 7.2449 7.2622 7.6500 7.6808 7.8558 7.8821 7.9829 8.0015 8.1093 8.1434 8.1666 8.1808 8.2112 8.2458 8.6412 8.6642 k = 0.1211-0.3916-0.6993 ( 4327 PWs) bands (ev): -6.9884 -6.9879 -6.5048 -6.5041 -5.3110 -5.3098 -4.7418 -4.7417 1.1946 1.1951 2.8351 2.8384 3.1075 3.1127 3.2706 3.2727 3.9054 3.9123 4.2163 4.2261 4.2755 4.2922 4.6859 4.7105 4.8854 4.9030 5.1178 5.1365 5.3883 5.4129 6.4019 6.4176 6.4515 6.4581 6.6634 6.6851 6.8033 6.8068 6.8647 6.8824 7.0375 7.0474 7.2486 7.2668 7.6430 7.6748 7.8232 7.8505 7.9580 7.9805 8.0826 8.1124 8.1401 8.1451 8.1774 8.2158 8.6413 8.6643 k = 0.1266-0.4094-0.7311 ( 4327 PWs) bands (ev): -6.9579 -6.9573 -6.4775 -6.4767 -5.2848 -5.2836 -4.7223 -4.7222 1.2273 1.2279 2.7548 2.7570 3.1193 3.1229 3.1982 3.1996 3.8822 3.8891 4.1892 4.2001 4.2356 4.2539 4.6481 4.6708 4.8557 4.8736 5.1073 5.1247 5.3766 5.4008 6.3853 6.4015 6.4390 6.4454 6.6493 6.6712 6.8191 6.8243 6.8776 6.8968 7.0217 7.0328 7.2538 7.2727 7.6364 7.6689 7.7921 7.8206 7.9329 7.9599 8.0555 8.0815 8.1103 8.1156 8.1448 8.1858 8.6416 8.6643 k = 0.1322-0.4272-0.7628 ( 4327 PWs) bands (ev): -6.9265 -6.9259 -6.4494 -6.4486 -5.2580 -5.2568 -4.7025 -4.7023 1.2606 1.2612 2.6745 2.6761 3.1036 3.1057 3.1529 3.1556 3.8569 3.8638 4.1584 4.1691 4.1955 4.2140 4.6073 4.6280 4.8275 4.8461 5.0997 5.1163 5.3650 5.3886 6.3688 6.3849 6.4264 6.4328 6.6346 6.6566 6.8342 6.8418 6.8911 6.9119 7.0068 7.0192 7.2604 7.2798 7.6303 7.6630 7.7625 7.7924 7.9070 7.9396 8.0276 8.0516 8.0787 8.0921 8.1130 8.1559 8.6420 8.6642 k = 0.1377-0.4450-0.7946 ( 4319 PWs) bands (ev): -6.8945 -6.8938 -6.4208 -6.4199 -5.2306 -5.2294 -4.6823 -4.6821 1.2943 1.2950 2.5948 2.5960 3.0363 3.0387 3.1594 3.1626 3.8295 3.8363 4.1234 4.1302 4.1589 4.1738 4.5636 4.5822 4.8014 4.8208 5.0945 5.1105 5.3535 5.3764 6.3526 6.3681 6.4136 6.4203 6.6196 6.6418 6.8480 6.8585 6.9050 6.9275 6.9937 7.0072 7.2684 7.2881 7.6245 7.6570 7.7346 7.7659 7.8804 7.9191 7.9993 8.0232 8.0510 8.0690 8.0827 8.1263 8.6423 8.6639 k = 0.1432-0.4628-0.8264 ( 4321 PWs) bands (ev): -6.8619 -6.8612 -6.3917 -6.3907 -5.2027 -5.2014 -4.6618 -4.6616 1.3283 1.3291 2.5163 2.5173 2.9635 2.9658 3.1727 3.1758 3.7998 3.8065 4.0835 4.0847 4.1250 4.1344 4.5173 4.5338 4.7773 4.7975 5.0909 5.1066 5.3419 5.3641 6.3368 6.3513 6.4007 6.4078 6.6045 6.6269 6.8597 6.8731 6.9193 6.9435 6.9834 6.9980 7.2779 7.2975 7.6189 7.6505 7.7084 7.7412 7.8529 7.8981 7.9715 7.9967 8.0270 8.0433 8.0565 8.0970 8.6426 8.6634 k = 0.1487-0.4806-0.8582 ( 4325 PWs) bands (ev): -6.8287 -6.8280 -6.3622 -6.3611 -5.1743 -5.1730 -4.6411 -4.6409 1.3624 1.3633 2.4394 2.4402 2.8907 2.8931 3.1867 3.1897 3.7679 3.7743 4.0357 4.0393 4.0911 4.0960 4.4689 4.4836 4.7549 4.7759 5.0882 5.1039 5.3304 5.3517 6.3216 6.3348 6.3876 6.3954 6.5894 6.6122 6.8681 6.8837 6.9335 6.9592 6.9782 6.9931 7.2885 7.3079 7.6135 7.6425 7.6847 7.7182 7.8251 7.8764 7.9456 7.9724 8.0058 8.0139 8.0354 8.0686 8.6427 8.6626 k = 0.1542-0.4984-0.8900 ( 4335 PWs) bands (ev): -6.7951 -6.7944 -6.3324 -6.3312 -5.1455 -5.1442 -4.6203 -4.6201 1.3964 1.3975 2.3644 2.3652 2.8191 2.8216 3.2006 3.2035 3.7337 3.7399 3.9852 3.9920 4.0557 4.0583 4.4192 4.4324 4.7338 4.7553 5.0859 5.1018 5.3191 5.3393 6.3071 6.3188 6.3744 6.3828 6.5745 6.5979 6.8725 6.8884 6.9472 6.9735 6.9804 6.9942 7.3005 7.3194 7.6080 7.6310 7.6656 7.6969 7.7977 7.8542 7.9221 7.9504 7.9826 7.9872 8.0162 8.0418 8.6427 8.6615 k = 0.1597-0.5162-0.9218 ( 4335 PWs) bands (ev): -6.7613 -6.7605 -6.3024 -6.3011 -5.1165 -5.1151 -4.5995 -4.5992 1.4300 1.4314 2.2919 2.2927 2.7490 2.7516 3.2141 3.2170 3.6973 3.7031 3.9340 3.9429 4.0183 4.0210 4.3689 4.3808 4.7133 4.7353 5.0831 5.0996 5.3083 5.3271 6.2935 6.3036 6.3613 6.3702 6.5600 6.5843 6.8729 6.8874 6.9605 6.9846 6.9907 7.0024 7.3135 7.3317 7.6018 7.6143 7.6529 7.6772 7.7715 7.8320 7.9012 7.9307 7.9527 7.9685 7.9974 8.0181 8.6423 8.6601 k = 0.1652-0.5339-0.9535 ( 4337 PWs) bands (ev): -6.7271 -6.7263 -6.2722 -6.2707 -5.0871 -5.0858 -4.5786 -4.5783 1.4630 1.4647 2.2221 2.2231 2.6806 2.6834 3.2271 3.2300 3.6585 3.6640 3.8825 3.8930 3.9793 3.9831 4.3187 4.3296 4.6932 4.7155 5.0793 5.0966 5.2983 5.3154 6.2808 6.2894 6.3481 6.3575 6.5459 6.5713 6.8703 6.8825 6.9741 6.9957 7.0043 7.0152 7.3275 7.3447 7.5896 7.5994 7.6440 7.6597 7.7476 7.8104 7.8824 7.9130 7.9232 7.9501 7.9785 7.9986 8.6417 8.6582 k = 0.1707-0.5517-0.9853 ( 4333 PWs) bands (ev): -6.6929 -6.6920 -6.2419 -6.2404 -5.0577 -5.0563 -4.5578 -4.5575 1.4950 1.4970 2.1556 2.1570 2.6143 2.6173 3.2393 3.2424 3.6174 3.6225 3.8313 3.8429 3.9392 3.9441 4.2692 4.2791 4.6728 4.6954 5.0736 5.0920 5.2896 5.3047 6.2690 6.2763 6.3351 6.3447 6.5324 6.5593 6.8662 6.8760 6.9881 7.0080 7.0189 7.0290 7.3422 7.3581 7.5683 7.5915 7.6339 7.6467 7.7270 7.7899 7.8654 7.8944 7.8975 7.9305 7.9611 7.9832 8.6405 8.6558 k = 0.1762-0.5695-1.0171 ( 4337 PWs) bands (ev): -6.6586 -6.6577 -6.2117 -6.2101 -5.0282 -5.0268 -4.5372 -4.5368 1.5253 1.5278 2.0931 2.0950 2.5503 2.5536 3.2506 3.2540 3.5741 3.5788 3.7807 3.7930 3.8981 3.9041 4.2208 4.2299 4.6520 4.6747 5.0653 5.0850 5.2825 5.2954 6.2580 6.2646 6.3224 6.3318 6.5196 6.5484 6.8617 6.8695 7.0025 7.0213 7.0335 7.0426 7.3569 7.3717 7.5460 7.5827 7.6216 7.6391 7.7104 7.7705 7.8495 7.8678 7.8828 7.9101 7.9468 7.9708 8.6388 8.6528 k = 0.1817-0.5873-1.0489 ( 4339 PWs) bands (ev): -6.6245 -6.6235 -6.1817 -6.1799 -4.9987 -4.9972 -4.5168 -4.5164 1.5531 1.5564 2.0354 2.0379 2.4888 2.4924 3.2609 3.2646 3.5287 3.5331 3.7308 3.7438 3.8563 3.8631 4.1738 4.1824 4.6304 4.6533 5.0537 5.0749 5.2776 5.2880 6.2478 6.2539 6.3102 6.3191 6.5076 6.5387 6.8576 6.8636 7.0171 7.0352 7.0471 7.0552 7.3706 7.3854 7.5243 7.5705 7.6120 7.6333 7.6983 7.7520 7.8344 7.8431 7.8695 7.8899 7.9356 7.9610 8.6361 8.6490 k = 0.1872-0.6051-1.0807 ( 4345 PWs) bands (ev): -6.5905 -6.5895 -6.1518 -6.1499 -4.9693 -4.9678 -4.4967 -4.4962 1.5774 1.5814 1.9839 1.9872 2.4301 2.4339 3.2698 3.2740 3.4813 3.4855 3.6819 3.6954 3.8138 3.8214 4.1285 4.1368 4.6080 4.6309 5.0386 5.0611 5.2750 5.2829 6.2381 6.2440 6.2990 6.3067 6.4966 6.5303 6.8543 6.8590 7.0314 7.0490 7.0592 7.0670 7.3821 7.3986 7.5044 7.5547 7.6074 7.6276 7.6903 7.7340 7.8193 7.8214 7.8572 7.8714 7.9274 7.9536 8.6320 8.6443 k = 0.1927-0.6229-1.1125 ( 4345 PWs) bands (ev): -6.5568 -6.5558 -6.1224 -6.1203 -4.9401 -4.9386 -4.4769 -4.4764 1.5962 1.6012 1.9404 1.9447 2.3742 2.3785 3.2768 3.2818 3.4325 3.4368 3.6341 3.6480 3.7709 3.7794 4.0854 4.0935 4.5845 4.6075 5.0197 5.0435 5.2747 5.2803 6.2288 6.2342 6.2896 6.2951 6.4869 6.5234 6.8518 6.8560 7.0455 7.0623 7.0696 7.0781 7.3903 7.4098 7.4879 7.5372 7.6070 7.6221 7.6855 7.7166 7.8009 7.8066 7.8453 7.8553 7.9222 7.9488 8.6258 8.6388 k = 0.1982-0.6407-1.1443 ( 4351 PWs) bands (ev): -6.5236 -6.5226 -6.0933 -6.0912 -4.9112 -4.9097 -4.4576 -4.4571 1.6073 1.6132 1.9075 1.9128 2.3215 2.3261 3.2803 3.2868 3.3835 3.3887 3.5872 3.6015 3.7280 3.7373 4.0445 4.0525 4.5599 4.5830 4.9972 5.0221 5.2765 5.2800 6.2191 6.2237 6.2826 6.2849 6.4784 6.5180 6.8500 6.8548 7.0589 7.0740 7.0782 7.0888 7.3949 7.4158 7.4772 7.5196 7.6090 7.6173 7.6817 7.7011 7.7844 7.7944 7.8337 7.8421 7.9200 7.9466 8.6168 8.6323 k = 0.2037-0.6585-1.1760 ( 4347 PWs) bands (ev): -6.4909 -6.4898 -6.0648 -6.0625 -4.8826 -4.8812 -4.4388 -4.4382 1.6083 1.6150 1.8877 1.8937 2.2720 2.2770 3.2744 3.2835 3.3399 3.3470 3.5413 3.5559 3.6855 3.6955 4.0060 4.0140 4.5342 4.5574 4.9715 4.9971 5.2800 5.2819 6.2082 6.2124 6.2765 6.2791 6.4715 6.5141 6.8491 6.8555 7.0714 7.0828 7.0854 7.0997 7.3958 7.4138 7.4736 7.5040 7.6090 7.6170 7.6732 7.6928 7.7709 7.7845 7.8223 7.8315 7.9207 7.9472 8.6051 8.6242 k = 0.2092-0.6763-1.2078 ( 4347 PWs) bands (ev): -6.4589 -6.4577 -6.0370 -6.0345 -4.8546 -4.8531 -4.4205 -4.4199 1.5991 1.6059 1.8818 1.8879 2.2260 2.2313 3.2459 3.2538 3.3196 3.3253 3.4962 3.5110 3.6439 3.6546 3.9700 3.9782 4.5073 4.5306 4.9428 4.9689 5.2850 5.2855 6.1952 6.2005 6.2713 6.2782 6.4661 6.5119 6.8492 6.8576 7.0820 7.0886 7.0915 7.1108 7.3929 7.4068 7.4706 7.4939 7.6056 7.6209 7.6597 7.6922 7.7609 7.7774 7.8118 7.8232 7.9243 7.9504 8.5912 8.6141 k = 0.2148-0.6941-1.2396 ( 4347 PWs) bands (ev): -6.4276 -6.4264 -6.0098 -6.0072 -4.8270 -4.8256 -4.4029 -4.4023 1.5819 1.5883 1.8874 1.8932 2.1835 2.1893 3.1983 3.2036 3.3163 3.3200 3.4518 3.4668 3.6037 3.6152 3.9367 3.9452 4.4794 4.5028 4.9116 4.9381 5.2904 5.2913 6.1805 6.1875 6.2692 6.2803 6.4622 6.5112 6.8504 6.8610 7.0874 7.0949 7.0961 7.1213 7.3868 7.3994 7.4609 7.4919 7.6018 7.6244 7.6471 7.6941 7.7551 7.7731 7.8027 7.8171 7.9304 7.9559 8.5756 8.6016 k = 0.2203-0.7119-1.2714 ( 4349 PWs) bands (ev): -6.3972 -6.3960 -5.9835 -5.9808 -4.8002 -4.7987 -4.3859 -4.3853 1.5602 1.5661 1.9007 1.9060 2.1447 2.1510 3.1437 3.1480 3.3148 3.3181 3.4085 3.4236 3.5656 3.5780 3.9062 3.9148 4.4504 4.4739 4.8783 4.9049 5.2965 5.2983 6.1647 6.1734 6.2701 6.2850 6.4600 6.5121 6.8526 6.8654 7.0874 7.0973 7.1034 7.1306 7.3792 7.3931 7.4483 7.4915 7.5970 7.6257 7.6385 7.6967 7.7536 7.7709 7.7955 7.8139 7.9385 7.9636 8.5592 8.5869 k = 0.2258-0.7297-1.3032 ( 4347 PWs) bands (ev): -6.3678 -6.3665 -5.9581 -5.9552 -4.7740 -4.7726 -4.3697 -4.3691 1.5372 1.5426 1.9185 1.9233 2.1098 2.1166 3.0863 3.0902 3.3094 3.3133 3.3684 3.3836 3.5302 3.5434 3.8784 3.8874 4.4205 4.4442 4.8431 4.8698 5.3034 5.3061 6.1482 6.1583 6.2738 6.2919 6.4593 6.5145 6.8556 6.8707 7.0843 7.0970 7.1098 7.1381 7.3725 7.3876 7.4356 7.4890 7.5911 7.6221 7.6374 7.6990 7.7562 7.7693 7.7913 7.8145 7.9480 7.9728 8.5425 8.5710 k = 0.2313-0.7475-1.3350 ( 4353 PWs) bands (ev): -6.3394 -6.3380 -5.9338 -5.9307 -4.7486 -4.7472 -4.3544 -4.3537 1.5151 1.5200 1.9384 1.9429 2.0788 2.0861 3.0273 3.0311 3.2904 3.2964 3.3404 3.3541 3.4980 3.5121 3.8534 3.8627 4.3898 4.4136 4.8064 4.8331 5.3109 5.3144 6.1313 6.1425 6.2798 6.3009 6.4602 6.5184 6.8593 6.8767 7.0786 7.0943 7.1141 7.1435 7.3673 7.3832 7.4234 7.4841 7.5849 7.6159 7.6411 7.7002 7.7609 7.7678 7.7906 7.8194 7.9583 7.9831 8.5259 8.5543 k = 0.2368-0.7653-1.3668 ( 4355 PWs) bands (ev): -6.3122 -6.3108 -5.9104 -5.9072 -4.7242 -4.7228 -4.3398 -4.3391 1.4952 1.4998 1.9591 1.9635 2.0520 2.0598 2.9672 2.9709 3.2531 3.2612 3.3293 3.3407 3.4695 3.4845 3.8313 3.8410 4.3584 4.3825 4.7685 4.7953 5.3189 5.3230 6.1143 6.1263 6.2880 6.3117 6.4625 6.5237 6.8635 6.8830 7.0707 7.0893 7.1159 7.1462 7.3638 7.3805 7.4118 7.4772 7.5798 7.6100 7.6462 7.7005 7.7610 7.7725 7.7933 7.8283 7.9684 7.9938 8.5101 8.5378 k = 0.2423-0.7831-1.3985 ( 4355 PWs) bands (ev): -6.2863 -6.2848 -5.8883 -5.8849 -4.7007 -4.6993 -4.3262 -4.3254 1.4784 1.4827 1.9791 1.9842 2.0297 2.0381 2.9061 2.9099 3.2082 3.2169 3.3237 3.3345 3.4447 3.4608 3.8120 3.8220 4.3265 4.3508 4.7298 4.7565 5.3273 5.3319 6.0973 6.1100 6.2981 6.3243 6.4662 6.5303 6.8680 6.8893 7.0610 7.0821 7.1152 7.1461 7.3616 7.3796 7.4012 7.4694 7.5762 7.6051 7.6514 7.7006 7.7587 7.7802 7.7995 7.8402 7.9774 8.0043 8.4955 8.5218 k = 0.2478-0.8009-1.4303 ( 4359 PWs) bands (ev): -6.2617 -6.2601 -5.8674 -5.8638 -4.6782 -4.6768 -4.3135 -4.3127 1.4654 1.4693 1.9939 2.0044 2.0133 2.0239 2.8443 2.8483 3.1606 3.1694 3.3188 3.3299 3.4239 3.4410 3.7954 3.8059 4.2941 4.3187 4.6904 4.7171 5.3359 5.3410 6.0805 6.0936 6.3099 6.3384 6.4712 6.5381 6.8724 6.8952 7.0501 7.0729 7.1121 7.1431 7.3593 7.3801 7.3927 7.4614 7.5742 7.6014 7.6560 7.7010 7.7578 7.7871 7.8089 7.8537 7.9846 8.0138 8.4822 8.5069 k = 0.2533-0.8187-1.4621 ( 4365 PWs) bands (ev): -6.2385 -6.2369 -5.8477 -5.8440 -4.6568 -4.6554 -4.3017 -4.3009 1.4563 1.4601 1.9904 2.0017 2.0245 2.0302 2.7819 2.7861 3.1117 3.1203 3.3139 3.3253 3.4069 3.4247 3.7816 3.7925 4.2615 4.2865 4.6506 4.6773 5.3446 5.3503 6.0639 6.0774 6.3232 6.3540 6.4772 6.5469 6.8765 6.8999 7.0389 7.0622 7.1069 7.1373 7.3555 7.3782 7.3902 7.4544 7.5737 7.5991 7.6602 7.7018 7.7591 7.7934 7.8206 7.8682 7.9892 8.0216 8.4705 8.4934 k = 0.2588-0.8365-1.4939 ( 4371 PWs) bands (ev): -6.2168 -6.2151 -5.8294 -5.8255 -4.6365 -4.6352 -4.2909 -4.2901 1.4516 1.4553 1.9815 1.9926 2.0436 2.0471 2.7190 2.7235 3.0620 3.0704 3.3091 3.3206 3.3934 3.4115 3.7704 3.7818 4.2289 4.2543 4.6106 4.6375 5.3535 5.3596 6.0477 6.0615 6.3379 6.3709 6.4842 6.5568 6.8796 6.9024 7.0283 7.0505 7.1000 7.1291 7.3494 7.3723 7.3948 7.4492 7.5743 7.5981 7.6644 7.7028 7.7633 7.7996 7.8332 7.8828 7.9911 8.0272 8.4603 8.4813 k = 0.2643-0.8543-1.5257 ( 4373 PWs) bands (ev): -6.1966 -6.1949 -5.8124 -5.8084 -4.6175 -4.6162 -4.2812 -4.2804 1.4514 1.4550 1.9753 1.9871 2.0618 2.0647 2.6558 2.6605 3.0119 3.0203 3.3047 3.3162 3.3828 3.4009 3.7618 3.7736 4.1964 4.2224 4.5708 4.5979 5.3623 5.3689 6.0319 6.0460 6.3537 6.3890 6.4920 6.5675 6.8813 6.9018 7.0194 7.0387 7.0920 7.1191 7.3414 7.3650 7.4022 7.4464 7.5755 7.5983 7.6694 7.7037 7.7704 7.8062 7.8459 7.8971 7.9901 8.0303 8.4513 8.4705 k = 0.2698-0.8721-1.5575 ( 4377 PWs) bands (ev): -6.1780 -6.1763 -5.7969 -5.7928 -4.5996 -4.5984 -4.2724 -4.2716 1.4558 1.4594 1.9729 1.9855 2.0789 2.0816 2.5923 2.5973 2.9616 2.9700 3.3011 3.3126 3.3744 3.3923 3.7555 3.7680 4.1643 4.1909 4.5313 4.5586 5.3712 5.3783 6.0168 6.0309 6.3706 6.4083 6.5004 6.5788 6.8807 6.8972 7.0125 7.0277 7.0837 7.1079 7.3323 7.3562 7.4110 7.4460 7.5765 7.5995 7.6756 7.7045 7.7801 7.8131 7.8582 7.9105 7.9865 8.0308 8.4432 8.4607 k = 0.2753-0.8899-1.5892 ( 4383 PWs) bands (ev): -6.1610 -6.1592 -5.7828 -5.7785 -4.5831 -4.5818 -4.2647 -4.2639 1.4649 1.4686 1.9743 1.9877 2.0949 2.0976 2.5287 2.5341 2.9113 2.9201 3.2988 3.3101 3.3677 3.3851 3.7516 3.7647 4.1328 4.1601 4.4924 4.5201 5.3801 5.3876 6.0022 6.0164 6.3884 6.4285 6.5092 6.5906 6.8770 6.8881 7.0071 7.0184 7.0760 7.0962 7.3227 7.3460 7.4203 7.4472 7.5770 7.6017 7.6834 7.7055 7.7918 7.8204 7.8699 7.9224 7.9813 8.0291 8.4354 8.4515 k = 0.2808-0.9077-1.6210 ( 4381 PWs) bands (ev): -6.1456 -6.1438 -5.7702 -5.7658 -4.5679 -4.5666 -4.2580 -4.2572 1.4787 1.4825 1.9793 1.9938 2.1098 2.1125 2.4651 2.4709 2.8615 2.8707 3.2979 3.3091 3.3621 3.3791 3.7498 3.7636 4.1023 4.1304 4.4543 4.4825 5.3889 5.3969 5.9883 6.0026 6.4068 6.4496 6.5183 6.6028 6.8697 6.8755 7.0015 7.0116 7.0701 7.0851 7.3131 7.3348 7.4296 7.4495 7.5769 7.6047 7.6927 7.7070 7.8051 7.8280 7.8806 7.9318 7.9757 8.0256 8.4272 8.4426 k = 0.2863-0.9255-1.6528 ( 4389 PWs) bands (ev): -6.1319 -6.1300 -5.7590 -5.7545 -4.5540 -4.5527 -4.2523 -4.2515 1.4972 1.5011 1.9878 2.0035 2.1234 2.1263 2.4017 2.4080 2.8123 2.8221 3.2984 3.3097 3.3573 3.3740 3.7499 3.7644 4.0731 4.1020 4.4174 4.4461 5.3977 5.4061 5.9752 5.9894 6.4257 6.4714 6.5273 6.6150 6.8582 6.8604 6.9952 7.0057 7.0659 7.0766 7.3038 7.3229 7.4381 7.4524 7.5761 7.6081 7.7030 7.7090 7.8193 7.8357 7.8901 7.9372 7.9717 8.0214 8.4184 8.4338 k = 0.2918-0.9433-1.6846 ( 4381 PWs) bands (ev): -6.1198 -6.1179 -5.7493 -5.7446 -4.5414 -4.5402 -4.2476 -4.2468 1.5202 1.5244 1.9993 2.0164 2.1357 2.1390 2.3387 2.3455 2.7641 2.7747 3.3003 3.3117 3.3532 3.3696 3.7517 3.7669 4.0456 4.0754 4.3818 4.4113 5.4064 5.4154 5.9628 5.9771 6.4448 6.4938 6.5361 6.6270 6.8423 6.8448 6.9885 6.9991 7.0609 7.0744 7.2949 7.3110 7.4453 7.4557 7.5749 7.6117 7.7110 7.7146 7.8339 7.8435 7.8982 7.9374 7.9710 8.0176 8.4088 8.4252 k = 0.2973-0.9611-1.7164 ( 4383 PWs) bands (ev): -6.1093 -6.1074 -5.7410 -5.7363 -4.5301 -4.5289 -4.2439 -4.2431 1.5476 1.5523 2.0134 2.0321 2.1469 2.1507 2.2763 2.2839 2.7173 2.7290 3.3030 3.3147 3.3497 3.3659 3.7547 3.7706 4.0204 4.0511 4.3481 4.3784 5.4151 5.4245 5.9513 5.9656 6.4639 6.5167 6.5444 6.6386 6.8242 6.8276 6.9812 6.9916 7.0559 7.0774 7.2866 7.2993 7.4504 7.4597 7.5734 7.6150 7.7142 7.7257 7.8474 7.8511 7.9045 7.9346 7.9722 8.0152 8.3984 8.4164 k = 0.3029-0.9789-1.7482 ( 4383 PWs) bands (ev): -6.1005 -6.0985 -5.7341 -5.7293 -4.5202 -4.5190 -4.2412 -4.2404 1.5792 1.5846 2.0291 2.0497 2.1567 2.1609 2.2152 2.2240 2.6725 2.6855 3.3062 3.3179 3.3472 3.3632 3.7585 3.7750 3.9982 4.0295 4.3165 4.3479 5.4237 5.4336 5.9406 5.9549 6.4825 6.5395 6.5523 6.6494 6.8053 6.8089 6.9732 6.9838 7.0526 7.0829 7.2791 7.2882 7.4534 7.4640 7.5719 7.6180 7.7175 7.7366 7.8557 7.8609 7.9092 7.9327 7.9732 8.0150 8.3878 8.4078 k = 0.3084-0.9967-1.7800 ( 4389 PWs) bands (ev): -6.0932 -6.0911 -5.7286 -5.7237 -4.5116 -4.5105 -4.2394 -4.2386 1.6146 1.6209 2.0451 2.0678 2.1519 2.1575 2.1699 2.1789 2.6304 2.6451 3.3089 3.3199 3.3465 3.3618 3.7626 3.7793 3.9796 4.0112 4.2878 4.3202 5.4322 5.4426 5.9308 5.9451 6.5003 6.5567 6.5649 6.6591 6.7853 6.7905 6.9651 6.9763 7.0511 7.0891 7.2725 7.2782 7.4550 7.4678 7.5704 7.6205 7.7210 7.7465 7.8590 7.8695 7.9132 7.9345 7.9736 8.0167 8.3772 8.3995 k = 0.3139-1.0145-1.8117 ( 4387 PWs) bands (ev): -6.0874 -6.0853 -5.7244 -5.7195 -4.5043 -4.5031 -4.2385 -4.2377 1.6529 1.6608 2.0557 2.0789 2.1011 2.1129 2.1757 2.1840 2.5923 2.6089 3.3102 3.3195 3.3479 3.3623 3.7665 3.7829 3.9653 3.9966 4.2625 4.2962 5.4406 5.4516 5.9220 5.9362 6.5165 6.5631 6.5873 6.6674 6.7641 6.7737 6.9576 6.9697 7.0509 7.0952 7.2667 7.2698 7.4558 7.4707 7.5690 7.6225 7.7244 7.7549 7.8586 7.8738 7.9180 7.9403 7.9741 8.0199 8.3674 8.3917 k = 0.3194-1.0323-1.8435 ( 4387 PWs) bands (ev): -6.0830 -6.0810 -5.7215 -5.7166 -4.4983 -4.4971 -4.2384 -4.2377 1.6927 1.7032 2.0279 2.0445 2.0872 2.1107 2.1836 2.1930 2.5597 2.5785 3.3093 3.3168 3.3509 3.3647 3.7698 3.7852 3.9554 3.9860 4.2417 4.2766 5.4489 5.4604 5.9140 5.9284 6.5303 6.5674 6.6098 6.6738 6.7425 6.7595 6.9513 6.9644 7.0511 7.1004 7.2609 7.2644 7.4560 7.4725 7.5677 7.6239 7.7272 7.7613 7.8548 7.8738 7.9241 7.9483 7.9757 8.0240 8.3589 8.3851 k = 0.3249-1.0501-1.8753 ( 4387 PWs) bands (ev): -6.0801 -6.0781 -5.7199 -5.7149 -4.4934 -4.4922 -4.2392 -4.2384 1.7305 1.7452 1.9799 1.9994 2.0945 2.1209 2.1913 2.2019 2.5352 2.5560 3.3063 3.3123 3.3543 3.3679 3.7723 3.7862 3.9497 3.9791 4.2266 4.2625 5.4571 5.4691 5.9070 5.9215 6.5406 6.5703 6.6309 6.6784 6.7217 6.7487 6.9470 6.9609 7.0515 7.1042 7.2562 7.2614 7.4559 7.4734 7.5665 7.6247 7.7292 7.7653 7.8488 7.8704 7.9304 7.9557 7.9794 8.0293 8.3525 8.3802 k = 0.3304-1.0679-1.9071 ( 4385 PWs) bands (ev): -6.0785 -6.0764 -5.7194 -5.7144 -4.4898 -4.4886 -4.2407 -4.2400 1.7578 1.7782 1.9431 1.9681 2.0986 2.1256 2.1984 2.2092 2.5217 2.5437 3.3014 3.3066 3.3569 3.3708 3.7743 3.7864 3.9470 3.9754 4.2183 4.2549 5.4652 5.4777 5.9009 5.9156 6.5465 6.5716 6.6472 6.6811 6.7050 6.7426 6.9448 6.9592 7.0516 7.1062 7.2536 7.2600 7.4557 7.4735 7.5655 7.6249 7.7300 7.7668 7.8414 7.8648 7.9349 7.9608 7.9860 8.0362 8.3489 8.3775 k = 0.3359-1.0857-1.9389 ( 4385 PWs) bands (ev): -6.0782 -6.0761 -5.7200 -5.7150 -4.4872 -4.4860 -4.2430 -4.2422 1.7600 1.7810 1.9405 1.9663 2.0963 2.1228 2.2039 2.2137 2.5217 2.5437 3.2952 3.2999 3.3580 3.3721 3.7758 3.7866 3.9460 3.9744 4.2181 4.2547 5.4730 5.4860 5.8957 5.9107 6.5474 6.5712 6.6490 6.6806 6.7034 6.7417 6.9449 6.9592 7.0515 7.1063 7.2535 7.2600 7.4555 7.4732 7.5644 7.6244 7.7292 7.7654 7.8332 7.8579 7.9361 7.9634 7.9948 8.0448 8.3489 8.3778 k = 0.6641-1.0101-1.8946 ( 4385 PWs) bands (ev): -6.0782 -6.0761 -5.7200 -5.7150 -4.4872 -4.4860 -4.2430 -4.2422 1.7600 1.7810 1.9405 1.9663 2.0963 2.1228 2.2039 2.2137 2.5217 2.5437 3.2952 3.2999 3.3580 3.3721 3.7758 3.7866 3.9460 3.9744 4.2181 4.2547 5.4730 5.4860 5.8957 5.9107 6.5474 6.5712 6.6490 6.6806 6.7034 6.7417 6.9449 6.9592 7.0515 7.1063 7.2535 7.2600 7.4555 7.4732 7.5644 7.6244 7.7292 7.7654 7.8332 7.8579 7.9361 7.9634 7.9948 8.0448 8.3489 8.3778 k = 0.6586-0.9739-1.8946 ( 4383 PWs) bands (ev): -6.0790 -6.0769 -5.7216 -5.7167 -4.4857 -4.4845 -4.2459 -4.2451 1.7341 1.7494 1.9759 1.9963 2.0875 2.1124 2.2071 2.2150 2.5357 2.5563 3.2882 3.2924 3.3569 3.3710 3.7770 3.7870 3.9464 3.9758 4.2263 4.2622 5.4806 5.4940 5.8914 5.9069 6.5433 6.5695 6.6351 6.6777 6.7180 6.7461 6.9473 6.9610 7.0513 7.1046 7.2557 7.2613 7.4556 7.4725 7.5633 7.6231 7.7267 7.7610 7.8247 7.8500 7.9342 7.9631 8.0052 8.0547 8.3531 8.3816 k = 0.6532-0.9377-1.8946 ( 4377 PWs) bands (ev): -6.0808 -6.0788 -5.7242 -5.7192 -4.4851 -4.4839 -4.2494 -4.2486 1.6932 1.7037 2.0244 2.0421 2.0771 2.0980 2.2083 2.2141 2.5624 2.5808 3.2803 3.2842 3.3533 3.3670 3.7775 3.7873 3.9488 3.9799 4.2428 4.2774 5.4878 5.5016 5.8880 5.9040 6.5351 6.5668 6.6159 6.6736 6.7374 6.7549 6.9515 6.9642 7.0510 7.1017 7.2597 7.2637 7.4560 7.4716 7.5621 7.6209 7.7224 7.7538 7.8159 7.8415 7.9298 7.9599 8.0166 8.0650 8.3619 8.3894 k = 0.6477-0.9015-1.8946 ( 4379 PWs) bands (ev): -6.0837 -6.0817 -5.7276 -5.7227 -4.4855 -4.4843 -4.2534 -4.2527 1.6465 1.6541 2.0359 2.0578 2.1060 2.1176 2.2081 2.2120 2.5989 2.6150 3.2718 3.2755 3.3471 3.3602 3.7765 3.7865 3.9549 3.9878 4.2667 4.2997 5.4946 5.5087 5.8855 5.9020 6.5238 6.5632 6.5959 6.6685 6.7576 6.7667 6.9571 6.9687 7.0510 7.0978 7.2648 7.2673 7.4568 7.4708 7.5605 7.6173 7.7164 7.7437 7.8070 7.8323 7.9234 7.9541 8.0281 8.0754 8.3758 8.4015 k = 0.6422-0.8654-1.8946 ( 4377 PWs) bands (ev): -6.0874 -6.0854 -5.7318 -5.7269 -4.4867 -4.4854 -4.2579 -4.2572 1.5979 1.6036 2.0128 2.0330 2.1689 2.1787 2.2077 2.2099 2.6427 2.6568 3.2628 3.2663 3.3387 3.3509 3.7734 3.7832 3.9665 4.0005 4.2970 4.3282 5.5009 5.5153 5.8839 5.9010 6.5108 6.5586 6.5770 6.6626 6.7777 6.7805 6.9638 6.9742 7.0515 7.0937 7.2698 7.2729 7.4580 7.4702 7.5584 7.6120 7.7093 7.7311 7.7979 7.8225 7.9155 7.9462 8.0397 8.0856 8.3946 8.4182 k = 0.6368-0.8292-1.8946 ( 4387 PWs) bands (ev): -6.0919 -6.0900 -5.7366 -5.7318 -4.4886 -4.4874 -4.2629 -4.2622 1.5490 1.5535 1.9837 2.0019 2.2020 2.2055 2.2423 2.2502 2.6919 2.7043 3.2533 3.2568 3.3284 3.3396 3.7678 3.7769 3.9846 4.0186 4.3324 4.3621 5.5065 5.5211 5.8831 5.9009 6.4971 6.5500 6.5627 6.6563 6.7954 6.7973 6.9709 6.9803 7.0529 7.0896 7.2743 7.2800 7.4596 7.4697 7.5553 7.6044 7.7015 7.7166 7.7885 7.8121 7.9063 7.9365 8.0511 8.0955 8.4181 8.4393 k = 0.6313-0.7930-1.8946 ( 4379 PWs) bands (ev): -6.0972 -6.0952 -5.7421 -5.7374 -4.4912 -4.4900 -4.2683 -4.2676 1.5007 1.5043 1.9521 1.9685 2.2003 2.2023 2.3153 2.3226 2.7448 2.7561 3.2434 3.2471 3.3170 3.3270 3.7598 3.7679 4.0089 4.0422 4.3721 4.4003 5.5113 5.5260 5.8832 5.9016 6.4832 6.5349 6.5561 6.6500 6.8108 6.8160 6.9783 6.9868 7.0554 7.0861 7.2790 7.2877 7.4614 7.4697 7.5511 7.5943 7.6939 7.7011 7.7785 7.8012 7.8960 7.9254 8.0626 8.1056 8.4461 8.4647 k = 0.6258-0.7568-1.8946 ( 4387 PWs) bands (ev): -6.1030 -6.1011 -5.7481 -5.7435 -4.4945 -4.4932 -4.2740 -4.2733 1.4534 1.4564 1.9193 1.9341 2.1972 2.1986 2.3910 2.3977 2.8001 2.8106 3.2331 3.2371 3.3051 3.3140 3.7498 3.7569 4.0386 4.0707 4.4153 4.4421 5.5153 5.5300 5.8842 5.9031 6.4698 6.5186 6.5521 6.6439 6.8263 6.8336 6.9856 6.9935 7.0593 7.0834 7.2837 7.2955 7.4630 7.4701 7.5451 7.5812 7.6846 7.6880 7.7679 7.7898 7.8848 7.9132 8.0745 8.1159 8.4778 8.4938 k = 0.6203-0.7206-1.8946 ( 4381 PWs) bands (ev): -6.1093 -6.1075 -5.7545 -5.7500 -4.4982 -4.4969 -4.2799 -4.2792 1.4073 1.4098 1.8860 1.8995 2.1935 2.1946 2.4684 2.4744 2.8564 2.8668 3.2226 3.2270 3.2938 3.3018 3.7383 3.7448 4.0728 4.1034 4.4613 4.4870 5.5182 5.5327 5.8861 5.9053 6.4572 6.5033 6.5492 6.6383 6.8417 6.8501 6.9928 7.0000 7.0645 7.0818 7.2883 7.3034 7.4636 7.4714 7.5366 7.5657 7.6701 7.6821 7.7565 7.7780 7.8729 7.9000 8.0870 8.1269 8.5129 8.5258 k = 0.6149-0.6844-1.8946 ( 4385 PWs) bands (ev): -6.1161 -6.1143 -5.7612 -5.7568 -4.5024 -4.5011 -4.2861 -4.2854 1.3627 1.3648 1.8528 1.8651 2.1893 2.1902 2.5465 2.5520 2.9124 2.9230 3.2117 3.2166 3.2845 3.2919 3.7259 3.7323 4.1103 4.1395 4.5095 4.5342 5.5199 5.5342 5.8888 5.9083 6.4456 6.4894 6.5470 6.6333 6.8566 6.8654 6.9998 7.0062 7.0710 7.0814 7.2928 7.3111 7.4623 7.4733 7.5247 7.5489 7.6571 7.6777 7.7443 7.7658 7.8606 7.8862 8.1006 8.1388 8.5500 8.5590 k = 0.6094-0.6482-1.8946 ( 4387 PWs) bands (ev): -6.1232 -6.1214 -5.7682 -5.7640 -4.5069 -4.5057 -4.2924 -4.2917 1.3196 1.3214 1.8201 1.8313 2.1848 2.1855 2.6247 2.6298 2.9659 2.9771 3.2005 3.2057 3.2790 3.2870 3.7130 3.7198 4.1505 4.1783 4.5595 4.5832 5.5203 5.5342 5.8925 5.9119 6.4353 6.4770 6.5457 6.6291 6.8709 6.8794 7.0069 7.0119 7.0783 7.0824 7.2969 7.3184 7.4584 7.4752 7.5087 7.5330 7.6467 7.6744 7.7314 7.7533 7.8480 7.8721 8.1155 8.1519 8.5803 8.5900 k = 0.6039-0.6120-1.8946 ( 4391 PWs) bands (ev): -6.1305 -6.1288 -5.7755 -5.7714 -4.5117 -4.5105 -4.2987 -4.2981 1.2782 1.2798 1.7881 1.7984 2.1799 2.1806 2.7023 2.7069 3.0140 3.0262 3.1886 3.1940 3.2807 3.2904 3.7002 3.7077 4.1928 4.2192 4.6108 4.6337 5.5193 5.5327 5.8970 5.9162 6.4263 6.4662 6.5454 6.6258 6.8846 6.8921 7.0140 7.0175 7.0837 7.0870 7.3005 7.3253 7.4502 7.4763 7.4892 7.5205 7.6391 7.6716 7.7180 7.7407 7.8353 7.8579 8.1321 8.1665 8.5801 8.6081 k = 0.5985-0.5758-1.8946 ( 4389 PWs) bands (ev): -6.1380 -6.1364 -5.7828 -5.7788 -4.5168 -4.5156 -4.3052 -4.3045 1.2386 1.2400 1.7570 1.7665 2.1748 2.1755 2.7781 2.7824 3.0532 3.0657 3.1761 3.1816 3.2944 3.3059 3.6877 3.6962 4.2365 4.2616 4.6630 4.6852 5.5168 5.5297 5.9022 5.9209 6.4187 6.4569 6.5460 6.6236 6.8977 6.9036 7.0204 7.0239 7.0868 7.0953 7.3036 7.3316 7.4362 7.4673 7.4765 7.5126 7.6338 7.6689 7.7043 7.7279 7.8228 7.8438 8.1506 8.1829 8.5668 8.5972 k = 0.5930-0.5396-1.8946 ( 4385 PWs) bands (ev): -6.1455 -6.1440 -5.7901 -5.7864 -4.5220 -4.5208 -4.3116 -4.3110 1.2008 1.2020 1.7271 1.7357 2.1696 2.1702 2.8507 2.8551 3.0815 3.0930 3.1632 3.1686 3.3234 3.3357 3.6760 3.6856 4.2811 4.3051 4.7158 4.7373 5.5129 5.5250 5.9082 5.9262 6.4124 6.4491 6.5478 6.6223 6.9100 6.9141 7.0254 7.0318 7.0903 7.1036 7.3057 7.3373 7.4168 7.4454 7.4750 7.5089 7.6304 7.6656 7.6911 7.7152 7.8107 7.8304 8.1711 8.2011 8.5505 8.5798 k = 0.5875-0.5035-1.8946 ( 4375 PWs) bands (ev): -6.1530 -6.1516 -5.7975 -5.7938 -4.5272 -4.5262 -4.3179 -4.3173 1.1649 1.1660 1.6983 1.7063 2.1642 2.1648 2.9176 2.9228 3.1008 3.1100 3.1504 3.1560 3.3666 3.3785 3.6652 3.6760 4.3263 4.3491 4.7688 4.7896 5.5074 5.5189 5.9149 5.9318 6.4076 6.4428 6.5507 6.6222 6.9216 6.9239 7.0299 7.0404 7.0940 7.1115 7.3068 7.3423 7.3941 7.4240 7.4724 7.5074 7.6283 7.6598 7.6803 7.7026 7.7991 7.8177 8.1938 8.2214 8.5332 8.5611 k = 0.5821-0.4673-1.8946 ( 4377 PWs) bands (ev): -6.1605 -6.1591 -5.8047 -5.8013 -4.5325 -4.5315 -4.3241 -4.3236 1.1309 1.1319 1.6710 1.6783 2.1588 2.1594 2.9739 2.9812 3.1145 3.1230 3.1397 3.1479 3.4191 3.4302 3.6557 3.6679 4.3717 4.3933 4.8215 4.8417 5.5005 5.5112 5.9220 5.9377 6.4038 6.4377 6.5547 6.6232 6.9324 6.9334 7.0340 7.0490 7.0973 7.1183 7.3063 7.3461 7.3705 7.4041 7.4686 7.5068 7.6266 7.6503 7.6732 7.6904 7.7883 7.8061 8.2186 8.2437 8.5158 8.5419 k = 0.5766-0.4311-1.8946 ( 4359 PWs) bands (ev): -6.1678 -6.1665 -5.8117 -5.8085 -4.5378 -4.5368 -4.3302 -4.3296 1.0990 1.0999 1.6451 1.6517 2.1535 2.1540 3.0128 3.0225 3.1149 3.1220 3.1522 3.1622 3.4763 3.4870 3.6481 3.6618 4.4169 4.4374 4.8738 4.8933 5.4922 5.5022 5.9295 5.9438 6.4014 6.4338 6.5597 6.6251 6.9416 6.9436 7.0379 7.0573 7.1000 7.1239 7.3037 7.3450 7.3516 7.3871 7.4636 7.5060 7.6231 7.6404 7.6677 7.6797 7.7785 7.7960 8.2458 8.2681 8.4988 8.5229 k = 0.5711-0.3949-1.8946 ( 4353 PWs) bands (ev): -6.1749 -6.1737 -5.8186 -5.8155 -4.5429 -4.5419 -4.3360 -4.3355 1.0691 1.0699 1.6207 1.6268 2.1483 2.1488 3.0322 3.0421 3.1051 3.1104 3.1903 3.2001 3.5340 3.5449 3.6437 3.6591 4.4616 4.4809 4.9252 4.9440 5.4828 5.4920 5.9372 5.9499 6.3998 6.4310 6.5659 6.6281 6.9504 6.9539 7.0409 7.0645 7.1017 7.1274 7.2984 7.3266 7.3509 7.3742 7.4574 7.5046 7.6140 7.6356 7.6597 7.6724 7.7697 7.7873 8.2751 8.2943 8.4824 8.5042 k = 0.5656-0.3587-1.8946 ( 4360 PWs) bands (ev): -6.1817 -6.1806 -5.8251 -5.8223 -4.5479 -4.5470 -4.3416 -4.3411 1.0412 1.0419 1.5979 1.6034 2.1431 2.1436 3.0385 3.0473 3.0939 3.0984 3.2373 3.2470 3.5858 3.5967 3.6488 3.6642 4.5054 4.5235 4.9754 4.9933 5.4721 5.4807 5.9448 5.9559 6.3992 6.4290 6.5729 6.6319 6.9592 6.9639 7.0427 7.0694 7.1025 7.1289 7.2907 7.3106 7.3497 7.3662 7.4501 7.5022 7.6012 7.6348 7.6493 7.6680 7.7621 7.7803 8.3062 8.3220 8.4671 8.4861 k = 0.5602-0.3225-1.8946 ( 4358 PWs) bands (ev): -6.1882 -6.1871 -5.8313 -5.8287 -4.5526 -4.5518 -4.3469 -4.3465 1.0155 1.0161 1.5767 1.5817 2.1382 2.1387 3.0384 3.0457 3.0831 3.0870 3.2846 3.2947 3.6140 3.6237 3.6841 3.6909 4.5481 4.5649 5.0239 5.0409 5.4607 5.4686 5.9523 5.9618 6.3993 6.4277 6.5809 6.6365 6.9680 6.9741 7.0423 7.0702 7.1031 7.1289 7.2826 7.2991 7.3467 7.3621 7.4418 7.4986 7.5880 7.6344 7.6391 7.6644 7.7559 7.7750 8.3388 8.3502 8.4537 8.4689 k = 0.5547-0.2863-1.8946 ( 4354 PWs) bands (ev): -6.1943 -6.1933 -5.8371 -5.8347 -4.5571 -4.5563 -4.3519 -4.3515 0.9919 0.9925 1.5573 1.5618 2.1336 2.1340 3.0352 3.0412 3.0732 3.0765 3.3281 3.3389 3.6211 3.6343 3.7373 3.7396 4.5893 4.6048 5.0703 5.0864 5.4485 5.4558 5.9595 5.9673 6.4002 6.4270 6.5897 6.6419 6.9769 6.9844 7.0390 7.0650 7.1038 7.1295 7.2766 7.2911 7.3433 7.3593 7.4330 7.4939 7.5757 7.6264 7.6367 7.6607 7.7513 7.7715 8.3726 8.3768 8.4443 8.4530 k = 0.5492-0.2501-1.8946 ( 4352 PWs) bands (ev): -6.1999 -6.1990 -5.8425 -5.8403 -4.5613 -4.5606 -4.3565 -4.3561 0.9705 0.9710 1.5396 1.5436 2.1292 2.1296 3.0305 3.0353 3.0642 3.0670 3.3658 3.3773 3.6266 3.6419 3.7912 3.7935 4.6287 4.6429 5.1144 5.1293 5.4359 5.4426 5.9662 5.9725 6.4017 6.4268 6.5991 6.6477 6.9855 6.9947 7.0325 7.0535 7.1047 7.1321 7.2738 7.2858 7.3398 7.3560 7.4239 7.4879 7.5648 7.6160 7.6369 7.6568 7.7483 7.7694 8.3937 8.4071 8.4368 8.4477 k = 0.5438-0.2139-1.8946 ( 4348 PWs) bands (ev): -6.2051 -6.2043 -5.8474 -5.8455 -4.5652 -4.5645 -4.3607 -4.3603 0.9513 0.9517 1.5237 1.5272 2.1252 2.1255 3.0252 3.0290 3.0562 3.0586 3.3968 3.4086 3.6349 3.6509 3.8431 3.8456 4.6660 4.6788 5.1557 5.1693 5.4231 5.4292 5.9724 5.9772 6.4037 6.4268 6.6091 6.6540 6.9924 7.0052 7.0245 7.0375 7.1062 7.1364 7.2736 7.2828 7.3362 7.3519 7.4151 7.4806 7.5560 7.6059 7.6367 7.6528 7.7470 7.7685 8.3950 8.4218 8.4431 8.4666 k = 0.5383-0.1778-1.8946 ( 4346 PWs) bands (ev): -6.2097 -6.2090 -5.8518 -5.8501 -4.5686 -4.5681 -4.3645 -4.3642 0.9343 0.9347 1.5096 1.5127 2.1216 2.1219 3.0198 3.0228 3.0493 3.0512 3.4208 3.4322 3.6465 3.6622 3.8914 3.8940 4.7007 4.7120 5.1937 5.2059 5.4105 5.4158 5.9778 5.9814 6.4060 6.4271 6.6194 6.6604 6.9927 7.0129 7.0176 7.0250 7.1083 7.1415 7.2747 7.2814 7.3322 7.3469 7.4073 7.4722 7.5492 7.5963 7.6360 7.6489 7.7473 7.7685 8.3891 8.4098 8.4765 8.4940 k = 0.5328-0.1416-1.8946 ( 4352 PWs) bands (ev): -6.2138 -6.2132 -5.8557 -5.8542 -4.5717 -4.5712 -4.3678 -4.3675 0.9195 0.9199 1.4974 1.5000 2.1184 2.1186 3.0146 3.0169 3.0433 3.0449 3.4386 3.4489 3.6609 3.6752 3.9352 3.9376 4.7324 4.7422 5.2280 5.2386 5.3982 5.4028 5.9826 5.9850 6.4087 6.4273 6.6299 6.6668 6.9831 6.9962 7.0242 7.0310 7.1108 7.1464 7.2754 7.2813 7.3282 7.3412 7.4009 7.4629 7.5444 7.5871 7.6348 7.6451 7.7490 7.7691 8.3821 8.3987 8.5087 8.5224 k = 0.5274-0.1054-1.8946 ( 4356 PWs) bands (ev): -6.2173 -6.2168 -5.8590 -5.8578 -4.5743 -4.5739 -4.3706 -4.3704 0.9070 0.9073 1.4870 1.4892 2.1156 2.1158 3.0100 3.0117 3.0383 3.0395 3.4511 3.4599 3.6765 3.6888 3.9735 3.9757 4.7608 4.7690 5.2582 5.2672 5.3867 5.3906 5.9865 5.9881 6.4115 6.4275 6.6405 6.6728 6.9695 6.9769 7.0331 7.0412 7.1136 7.1505 7.2747 7.2818 7.3246 7.3356 7.3964 7.4531 7.5414 7.5786 7.6333 7.6416 7.7518 7.7700 8.3756 8.3890 8.5387 8.5495 k = 0.5219-0.0692-1.8946 ( 4360 PWs) bands (ev): -6.2202 -6.2198 -5.8617 -5.8607 -4.5765 -4.5762 -4.3730 -4.3728 0.8968 0.8970 1.4786 1.4803 2.1133 2.1135 3.0059 3.0072 3.0343 3.0352 3.4598 3.4667 3.6917 3.7016 4.0057 4.0076 4.7851 4.7918 5.2840 5.2912 5.3764 5.3793 5.9896 5.9906 6.4144 6.4276 6.6508 6.6780 6.9556 6.9593 7.0421 7.0512 7.1169 7.1531 7.2727 7.2816 7.3222 7.3305 7.3942 7.4432 7.5401 7.5708 7.6319 7.6384 7.7553 7.7708 8.3702 8.3807 8.5651 8.5735 k = 0.5164-0.0330-1.8946 ( 4362 PWs) bands (ev): -6.2224 -6.2221 -5.8638 -5.8631 -4.5782 -4.5780 -4.3748 -4.3747 0.8888 0.8890 1.4720 1.4733 2.1115 2.1116 3.0027 3.0036 3.0311 3.0318 3.4656 3.4707 3.7051 3.7124 4.0315 4.0329 4.8050 4.8101 5.3051 5.3104 5.3674 5.3694 5.9920 5.9925 6.4172 6.4273 6.6604 6.6819 6.9428 6.9446 7.0507 7.0598 7.1211 7.1537 7.2701 7.2799 7.3212 7.3265 7.3943 7.4333 7.5402 7.5637 7.6308 7.6357 7.7591 7.7713 8.3662 8.3740 8.5873 8.5934 k = 0.5109 0.0032-1.8946 ( 4362 PWs) bands (ev): -6.2240 -6.2238 -5.8653 -5.8648 -4.5794 -4.5793 -4.3761 -4.3760 0.8831 0.8832 1.4674 1.4682 2.1102 2.1103 3.0004 3.0009 3.0289 3.0294 3.4694 3.4727 3.7155 3.7204 4.0502 4.0512 4.8200 4.8234 5.3213 5.3249 5.3600 5.3612 5.9936 5.9939 6.4198 6.4266 6.6692 6.6841 6.9324 6.9337 7.0582 7.0658 7.1265 7.1518 7.2683 7.2768 7.3210 7.3240 7.3967 7.4239 7.5415 7.5574 7.6301 7.6334 7.7628 7.7712 8.3637 8.3688 8.6041 8.6082 k = 0.5055 0.0394-1.8946 ( 4362 PWs) bands (ev): -6.2250 -6.2249 -5.8661 -5.8659 -4.5802 -4.5801 -4.3769 -4.3769 0.8797 0.8797 1.4647 1.4651 2.1094 2.1095 2.9990 2.9993 3.0277 3.0279 3.4718 3.4734 3.7225 3.7250 4.0617 4.0622 4.8295 4.8312 5.3326 5.3345 5.3543 5.3549 5.9946 5.9947 6.4221 6.4256 6.6763 6.6840 6.9259 6.9267 7.0640 7.0684 7.1333 7.1472 7.2681 7.2731 7.3213 7.3225 7.4012 7.4151 7.5440 7.5520 7.6300 7.6316 7.7660 7.7703 8.3627 8.3652 8.6150 8.6170 k = 0.5000 0.0756-1.8946 ( 4366 PWs) bands (ev): -6.2253 -6.2253 -5.8663 -5.8663 -4.5804 -4.5804 -4.3772 -4.3772 0.8786 0.8786 1.4639 1.4639 2.1092 2.1092 2.9986 2.9986 3.0273 3.0273 3.4731 3.4731 3.7257 3.7257 4.0657 4.0657 4.8332 4.8332 5.3379 5.3379 5.3517 5.3517 5.9949 5.9949 6.4241 6.4241 6.6814 6.6814 6.9239 6.9239 7.0676 7.0676 7.1407 7.1407 7.2699 7.2699 7.3217 7.3217 7.4074 7.4074 7.5475 7.5475 7.6305 7.6305 7.7686 7.7686 8.3632 8.3632 8.6193 8.6193 k = 0.5000 0.0756-1.8946 ( 4366 PWs) bands (ev): -6.2253 -6.2253 -5.8663 -5.8663 -4.5804 -4.5804 -4.3772 -4.3772 0.8786 0.8786 1.4639 1.4639 2.1092 2.1092 2.9986 2.9986 3.0273 3.0273 3.4731 3.4731 3.7257 3.7257 4.0657 4.0657 4.8332 4.8332 5.3379 5.3379 5.3517 5.3517 5.9949 5.9949 6.4241 6.4241 6.6814 6.6814 6.9239 6.9239 7.0676 7.0676 7.1407 7.1407 7.2699 7.2699 7.3217 7.3217 7.4074 7.4074 7.5475 7.5475 7.6305 7.6305 7.7686 7.7686 8.3632 8.3632 8.6193 8.6193 k = 0.5328 0.0805-1.8857 ( 4362 PWs) bands (ev): -6.2254 -6.2254 -5.8662 -5.8661 -4.5813 -4.5813 -4.3764 -4.3764 0.8785 0.8785 1.4643 1.4644 2.1078 2.1081 2.9887 2.9970 3.0293 3.0375 3.4751 3.4752 3.7257 3.7257 4.0657 4.0657 4.8332 4.8333 5.3377 5.3380 5.3480 5.3485 5.9975 5.9978 6.4232 6.4242 6.6811 6.6815 6.9239 6.9240 7.0671 7.0681 7.1406 7.1409 7.2696 7.2704 7.3209 7.3225 7.4076 7.4077 7.5470 7.5481 7.6297 7.6313 7.7676 7.7678 8.3614 8.3621 8.6207 8.6212 k = 0.5656 0.0855-1.8769 ( 4362 PWs) bands (ev): -6.2257 -6.2257 -5.8657 -5.8657 -4.5839 -4.5839 -4.3741 -4.3741 0.8785 0.8785 1.4656 1.4657 2.1041 2.1047 2.9747 2.9844 3.0429 3.0523 3.4810 3.4811 3.7258 3.7258 4.0658 4.0658 4.8330 4.8332 5.3350 5.3361 5.3395 5.3409 6.0052 6.0059 6.4217 6.4236 6.6808 6.6817 6.9237 6.9240 7.0664 7.0684 7.1405 7.1411 7.2695 7.2711 7.3201 7.3234 7.4082 7.4083 7.5467 7.5489 7.6289 7.6321 7.7650 7.7653 8.3569 8.3583 8.6252 8.6263 k = 0.5985 0.0905-1.8680 ( 4361 PWs) bands (ev): -6.2263 -6.2263 -5.8650 -5.8650 -4.5880 -4.5880 -4.3705 -4.3705 0.8783 0.8783 1.4676 1.4678 2.0983 2.0992 2.9582 2.9674 3.0619 3.0707 3.4901 3.4901 3.7258 3.7259 4.0658 4.0659 4.8328 4.8331 5.3202 5.3204 5.3389 5.3392 6.0175 6.0185 6.4194 6.4224 6.6804 6.6818 6.9236 6.9240 7.0657 7.0686 7.1406 7.1414 7.2696 7.2720 7.3193 7.3241 7.4091 7.4093 7.5465 7.5497 7.6281 7.6328 7.7607 7.7612 8.3501 8.3520 8.6329 8.6344 k = 0.6313 0.0954-1.8591 ( 4358 PWs) bands (ev): -6.2271 -6.2270 -5.8641 -5.8640 -4.5934 -4.5934 -4.3659 -4.3659 0.8782 0.8782 1.4703 1.4705 2.0910 2.0921 2.9395 2.9477 3.0848 3.0927 3.5014 3.5014 3.7259 3.7259 4.0660 4.0660 4.8326 4.8329 5.2985 5.2991 5.3391 5.3392 6.0333 6.0348 6.4164 6.4203 6.6801 6.6818 6.9235 6.9240 7.0651 7.0687 7.1407 7.1417 7.2701 7.2731 7.3185 7.3249 7.4104 7.4107 7.5466 7.5506 7.6275 7.6334 7.7552 7.7557 8.3415 8.3437 8.6433 8.6451 k = 0.6641 0.1004-1.8503 ( 4360 PWs) bands (ev): -6.2280 -6.2280 -5.8629 -5.8629 -4.5997 -4.5997 -4.3605 -4.3605 0.8781 0.8781 1.4735 1.4737 2.0826 2.0839 2.9191 2.9264 3.1112 3.1180 3.5140 3.5140 3.7260 3.7261 4.0661 4.0662 4.8323 4.8327 5.2729 5.2737 5.3393 5.3396 6.0518 6.0537 6.4126 6.4174 6.6798 6.6819 6.9233 6.9240 7.0642 7.0684 7.1408 7.1421 7.2707 7.2742 7.3177 7.3257 7.4120 7.4124 7.5468 7.5514 7.6271 7.6340 7.7485 7.7492 8.3315 8.3339 8.6562 8.6582 k = 0.6641 0.1004-1.8503 ( 4360 PWs) bands (ev): -6.2280 -6.2280 -5.8629 -5.8629 -4.5997 -4.5997 -4.3605 -4.3605 0.8781 0.8781 1.4735 1.4737 2.0826 2.0839 2.9191 2.9264 3.1112 3.1180 3.5140 3.5140 3.7260 3.7261 4.0661 4.0662 4.8323 4.8327 5.2729 5.2737 5.3393 5.3396 6.0518 6.0537 6.4126 6.4174 6.6798 6.6819 6.9233 6.9240 7.0642 7.0684 7.1408 7.1421 7.2707 7.2742 7.3177 7.3257 7.4120 7.4124 7.5468 7.5514 7.6271 7.6340 7.7485 7.7492 8.3315 8.3339 8.6562 8.6582 k = 0.6610 0.0999-1.8139 ( 4367 PWs) bands (ev): -6.2309 -6.2308 -5.8667 -5.8666 -4.5990 -4.5988 -4.3656 -4.3655 0.8850 0.8850 1.4802 1.4805 2.0830 2.0844 2.9175 2.9248 3.1137 3.1210 3.5151 3.5155 3.7272 3.7274 4.0672 4.0672 4.8320 4.8330 5.2793 5.2799 5.3390 5.3400 6.0493 6.0518 6.4140 6.4189 6.6746 6.6790 6.9221 6.9232 7.0605 7.0632 7.1404 7.1418 7.2741 7.2768 7.3171 7.3316 7.4140 7.4142 7.5467 7.5492 7.6264 7.6333 7.7509 7.7521 8.3368 8.3369 8.6568 8.6583 k = 0.6578 0.0994-1.7774 ( 4357 PWs) bands (ev): -6.2363 -6.2361 -5.8727 -5.8726 -4.6003 -4.5999 -4.3721 -4.3719 0.8971 0.8971 1.4918 1.4921 2.0817 2.0833 2.9179 2.9252 3.1188 3.1266 3.5183 3.5191 3.7293 3.7296 4.0690 4.0690 4.8318 4.8335 5.2865 5.2867 5.3386 5.3404 6.0468 6.0498 6.4152 6.4202 6.6677 6.6743 6.9202 6.9218 7.0542 7.0558 7.1394 7.1412 7.2799 7.2819 7.3183 7.3385 7.4175 7.4176 7.5462 7.5475 7.6263 7.6337 7.7551 7.7570 8.3399 8.3419 8.6578 8.6588 k = 0.6546 0.0990-1.7410 ( 4357 PWs) bands (ev): -6.2440 -6.2439 -5.8809 -5.8808 -4.6036 -4.6030 -4.3800 -4.3797 0.9142 0.9142 1.5081 1.5084 2.0786 2.0803 2.9199 2.9272 3.1264 3.1347 3.5238 3.5251 3.7323 3.7328 4.0715 4.0716 4.8316 4.8339 5.2942 5.2942 5.3383 5.3408 6.0440 6.0476 6.4160 6.4211 6.6594 6.6680 6.9176 6.9196 7.0459 7.0467 7.1376 7.1398 7.2873 7.2889 7.3203 7.3457 7.4221 7.4228 7.5455 7.5467 7.6266 7.6355 7.7611 7.7636 8.3430 8.3469 8.6592 8.6597 k = 0.6515 0.0985-1.7045 ( 4355 PWs) bands (ev): -6.2542 -6.2540 -5.8912 -5.8910 -4.6089 -4.6081 -4.3892 -4.3888 0.9363 0.9363 1.5290 1.5294 2.0738 2.0757 2.9230 2.9301 3.1367 3.1455 3.5320 3.5338 3.7362 3.7369 4.0748 4.0749 4.8315 4.8345 5.3022 5.3026 5.3379 5.3412 6.0412 6.0453 6.4163 6.4216 6.6502 6.6604 6.9143 6.9167 7.0361 7.0363 7.1350 7.1375 7.2962 7.2978 7.3229 7.3524 7.4282 7.4293 7.5446 7.5476 7.6274 7.6389 7.7688 7.7719 8.3461 8.3520 8.6609 8.6610 k = 0.6483 0.0980-1.6681 ( 4357 PWs) bands (ev): -6.2666 -6.2664 -5.9036 -5.9033 -4.6161 -4.6151 -4.3997 -4.3992 0.9633 0.9633 1.5545 1.5549 2.0673 2.0694 2.9264 2.9335 3.1499 3.1592 3.5433 3.5456 3.7410 3.7418 4.0788 4.0789 4.8314 4.8351 5.3109 5.3116 5.3377 5.3417 6.0382 6.0428 6.4162 6.4217 6.6406 6.6521 6.9104 6.9131 7.0255 7.0255 7.1312 7.1341 7.3060 7.3080 7.3254 7.3582 7.4355 7.4368 7.5441 7.5509 7.6288 7.6441 7.7782 7.7819 8.3495 8.3571 8.6626 8.6630 k = 0.6452 0.0975-1.6317 ( 4358 PWs) bands (ev): -6.2813 -6.2810 -5.9179 -5.9177 -4.6252 -4.6240 -4.4115 -4.4109 0.9951 0.9952 1.5844 1.5850 2.0592 2.0615 2.9296 2.9364 3.1663 3.1759 3.5579 3.5608 3.7466 3.7477 4.0835 4.0837 4.8315 4.8358 5.3201 5.3211 5.3376 5.3423 6.0352 6.0403 6.4156 6.4215 6.6311 6.6435 6.9060 6.9090 7.0144 7.0145 7.1261 7.1293 7.3161 7.3181 7.3285 7.3632 7.4440 7.4448 7.5443 7.5571 7.6311 7.6511 7.7891 7.7934 8.3531 8.3623 8.6644 8.6653 k = 0.6420 0.0970-1.5952 ( 4347 PWs) bands (ev): -6.2981 -6.2978 -5.9341 -5.9339 -4.6360 -4.6347 -4.4245 -4.4238 1.0315 1.0316 1.6186 1.6193 2.0495 2.0521 2.9318 2.9383 3.1861 3.1960 3.5763 3.5797 3.7531 3.7544 4.0890 4.0893 4.8317 4.8366 5.3294 5.3311 5.3381 5.3432 6.0321 6.0377 6.4144 6.4208 6.6219 6.6350 6.9012 6.9044 7.0035 7.0036 7.1198 7.1232 7.3232 7.3257 7.3365 7.3675 7.4531 7.4535 7.5460 7.5666 7.6346 7.6600 7.8015 7.8064 8.3569 8.3676 8.6665 8.6678 k = 0.6389 0.0966-1.5588 ( 4353 PWs) bands (ev): -6.3169 -6.3166 -5.9522 -5.9519 -4.6487 -4.6472 -4.4386 -4.4378 1.0724 1.0726 1.6569 1.6578 2.0383 2.0413 2.9324 2.9383 3.2096 3.2197 3.5986 3.6026 3.7604 3.7618 4.0951 4.0954 4.8321 4.8375 5.3350 5.3395 5.3430 5.3463 6.0292 6.0352 6.4127 6.4197 6.6136 6.6269 6.8959 6.8993 6.9930 6.9930 7.1120 7.1156 7.3232 7.3335 7.3490 7.3722 7.4619 7.4637 7.5495 7.5789 7.6393 7.6705 7.8152 7.8206 8.3609 8.3729 8.6687 8.6704 k = 0.6357 0.0961-1.5224 ( 4352 PWs) bands (ev): -6.3377 -6.3372 -5.9719 -5.9716 -4.6629 -4.6613 -4.4539 -4.4530 1.1176 1.1178 1.6990 1.7002 2.0259 2.0292 2.9308 2.9362 3.2370 3.2471 3.6250 3.6295 3.7685 3.7700 4.1018 4.1022 4.8326 4.8386 5.3358 5.3424 5.3533 5.3556 6.0263 6.0328 6.4105 6.4183 6.6064 6.6196 6.8902 6.8939 6.9829 6.9832 7.1030 7.1067 7.3210 7.3380 7.3626 7.3784 7.4720 7.4749 7.5550 7.5932 7.6458 7.6826 7.8302 7.8360 8.3651 8.3782 8.6710 8.6732 k = 0.6325 0.0956-1.4859 ( 4356 PWs) bands (ev): -6.3601 -6.3597 -5.9933 -5.9929 -4.6786 -4.6769 -4.4702 -4.4692 1.1668 1.1671 1.7446 1.7462 2.0124 2.0163 2.9267 2.9315 3.2684 3.2783 3.6556 3.6606 3.7772 3.7789 4.1092 4.1097 4.8333 4.8399 5.3361 5.3436 5.3647 5.3672 6.0237 6.0305 6.4079 6.4165 6.6005 6.6134 6.8844 6.8882 6.9734 6.9740 7.0926 7.0964 7.3173 7.3387 7.3767 7.3870 7.4838 7.4871 7.5627 7.6082 7.6544 7.6960 7.8464 7.8525 8.3694 8.3835 8.6734 8.6759 k = 0.6294 0.0951-1.4495 ( 4348 PWs) bands (ev): -6.3843 -6.3838 -6.0160 -6.0157 -4.6958 -4.6939 -4.4875 -4.4864 1.2198 1.2203 1.7928 1.7951 1.9985 2.0033 2.9201 2.9242 3.3036 3.3134 3.6902 3.6957 3.7867 3.7886 4.1171 4.1177 4.8343 4.8415 5.3364 5.3446 5.3768 5.3796 6.0212 6.0284 6.4049 6.4143 6.5963 6.6087 6.8784 6.8824 6.9645 6.9656 7.0810 7.0849 7.3126 7.3362 7.3908 7.3973 7.4977 7.5005 7.5726 7.6232 7.6657 7.7106 7.8636 7.8701 8.3739 8.3888 8.6757 8.6787 k = 0.6262 0.0947-1.4131 ( 4344 PWs) bands (ev): -6.4099 -6.4094 -6.0402 -6.0398 -4.7142 -4.7122 -4.5057 -4.5046 1.2763 1.2769 1.8419 1.8455 1.9857 1.9919 2.9107 2.9143 3.3425 3.3522 3.7286 3.7347 3.7970 3.7988 4.1256 4.1263 4.8355 4.8433 5.3368 5.3457 5.3893 5.3924 6.0191 6.0266 6.4016 6.4118 6.5937 6.6056 6.8723 6.8765 6.9563 6.9580 7.0682 7.0723 7.3071 7.3318 7.4048 7.4086 7.5136 7.5152 7.5843 7.6372 7.6796 7.7261 7.8819 7.8885 8.3784 8.3940 8.6780 8.6813 k = 0.6231 0.0942-1.3766 ( 4340 PWs) bands (ev): -6.4369 -6.4363 -6.0656 -6.0651 -4.7338 -4.7317 -4.5248 -4.5236 1.3359 1.3366 1.8859 1.8914 1.9800 1.9884 2.8989 2.9019 3.3850 3.3945 3.7703 3.7771 3.8082 3.8099 4.1346 4.1353 4.8371 4.8454 5.3375 5.3470 5.4022 5.4057 6.0174 6.0252 6.3982 6.4091 6.5930 6.6043 6.8661 6.8706 6.9489 6.9513 7.0545 7.0586 7.3012 7.3264 7.4185 7.4205 7.5314 7.5315 7.5978 7.6505 7.6959 7.7422 7.9009 7.9078 8.3829 8.3991 8.6802 8.6838 k = 0.6199 0.0937-1.3402 ( 4338 PWs) bands (ev): -6.4650 -6.4645 -6.0921 -6.0916 -4.7545 -4.7523 -4.5446 -4.5434 1.3979 1.3989 1.9083 1.9132 2.0014 2.0094 2.8848 2.8872 3.4308 3.4402 3.8098 3.8166 3.8257 3.8280 4.1441 4.1449 4.8390 4.8479 5.3383 5.3485 5.4152 5.4191 6.0161 6.0241 6.3948 6.4062 6.5940 6.6049 6.8600 6.8647 6.9422 6.9455 7.0399 7.0441 7.2953 7.3206 7.4320 7.4328 7.5491 7.5513 7.6128 7.6633 7.7136 7.7587 7.9209 7.9278 8.3874 8.4040 8.6821 8.6860 k = 0.6168 0.0932-1.3038 ( 4340 PWs) bands (ev): -6.4943 -6.4937 -6.1195 -6.1190 -4.7760 -4.7737 -4.5652 -4.5639 1.4615 1.4628 1.9064 1.9082 2.0529 2.0581 2.8686 2.8706 3.4797 3.4889 3.8272 3.8310 3.8690 3.8747 4.1540 4.1548 4.8413 4.8507 5.3394 5.3502 5.4284 5.4327 6.0154 6.0236 6.3916 6.4033 6.5968 6.6074 6.8540 6.8589 6.9362 6.9406 7.0246 7.0290 7.2897 7.3150 7.4451 7.4452 7.5680 7.5728 7.6292 7.6760 7.7321 7.7755 7.9415 7.9484 8.3918 8.4086 8.6838 8.6880 k = 0.6136 0.0928-1.2673 ( 4341 PWs) bands (ev): -6.5245 -6.5239 -6.1478 -6.1473 -4.7984 -4.7961 -4.5865 -4.5852 1.5252 1.5270 1.8966 1.8968 2.1156 2.1192 2.8506 2.8521 3.5313 3.5405 3.8396 3.8431 3.9205 3.9270 4.1642 4.1651 4.8440 4.8539 5.3409 5.3522 5.4415 5.4463 6.0152 6.0236 6.3888 6.4006 6.6012 6.6117 6.8479 6.8531 6.9310 6.9366 7.0088 7.0132 7.2847 7.3099 7.4579 7.4580 7.5882 7.5958 7.6470 7.6891 7.7510 7.7924 7.9627 7.9697 8.3961 8.4130 8.6852 8.6897 k = 0.6105 0.0923-1.2309 ( 4343 PWs) bands (ev): -6.5555 -6.5549 -6.1768 -6.1763 -4.8215 -4.8191 -4.6083 -4.6069 1.5861 1.5885 1.8871 1.8888 2.1831 2.1859 2.8311 2.8322 3.5854 3.5946 3.8517 3.8552 3.9753 3.9822 4.1748 4.1758 4.8473 4.8577 5.3427 5.3545 5.4545 5.4598 6.0156 6.0242 6.3865 6.3982 6.6071 6.6177 6.8420 6.8474 6.9267 6.9336 6.9928 6.9972 7.2805 7.3055 7.4708 7.4708 7.6092 7.6203 7.6662 7.7024 7.7699 7.8093 7.9846 7.9915 8.4003 8.4170 8.6863 8.6909 k = 0.6073 0.0918-1.1945 ( 4347 PWs) bands (ev): -6.5871 -6.5865 -6.2064 -6.2059 -4.8451 -4.8427 -4.6305 -4.6292 1.6383 1.6415 1.8871 1.8900 2.2537 2.2559 2.8104 2.8112 3.6418 3.6509 3.8638 3.8675 4.0326 4.0398 4.1856 4.1866 4.8511 4.8620 5.3449 5.3572 5.4672 5.4731 6.0166 6.0254 6.3850 6.3963 6.6142 6.6251 6.8361 6.8418 6.9233 6.9314 6.9768 6.9812 7.2773 7.3021 7.4835 7.4840 7.6306 7.6461 7.6869 7.7160 7.7887 7.8262 8.0069 8.0137 8.4042 8.4205 8.6868 8.6910 k = 0.6041 0.0913-1.1580 ( 4344 PWs) bands (ev): -6.6192 -6.6186 -6.2364 -6.2359 -4.8692 -4.8667 -4.6532 -4.6519 1.6729 1.6764 1.9063 1.9098 2.3264 2.3283 2.7889 2.7894 3.7001 3.7092 3.8760 3.8797 4.0921 4.0996 4.1967 4.1977 4.8555 4.8668 5.3475 5.3603 5.4795 5.4859 6.0184 6.0274 6.3844 6.3952 6.6224 6.6338 6.8302 6.8362 6.9207 6.9297 6.9618 6.9655 7.2752 7.2996 7.4962 7.4975 7.6521 7.6729 7.7092 7.7299 7.8074 7.8431 8.0297 8.0363 8.4077 8.4233 8.6688 8.6847 k = 0.6010 0.0908-1.1216 ( 4341 PWs) bands (ev): -6.6517 -6.6510 -6.2668 -6.2663 -4.8936 -4.8911 -4.6763 -4.6749 1.6846 1.6878 1.9504 1.9537 2.4005 2.4021 2.7674 2.7675 3.7602 3.7693 3.8881 3.8920 4.1535 4.1610 4.2081 4.2090 4.8606 4.8723 5.3506 5.3639 5.4912 5.4982 6.0208 6.0300 6.3849 6.3950 6.6314 6.6434 6.8242 6.8306 6.9183 6.9262 6.9500 6.9512 7.2741 7.2982 7.5090 7.5113 7.6730 7.7004 7.7332 7.7441 7.8260 7.8600 8.0529 8.0592 8.4103 8.4249 8.6234 8.6473 k = 0.5978 0.0904-1.0852 ( 4342 PWs) bands (ev): -6.6844 -6.6838 -6.2974 -6.2969 -4.9183 -4.9158 -4.6995 -4.6981 1.6787 1.6812 2.0137 2.0164 2.4745 2.4758 2.7468 2.7471 3.8216 3.8307 3.9002 3.9041 4.2158 4.2160 4.2209 4.2275 4.8665 4.8785 5.3542 5.3679 5.5022 5.5098 6.0239 6.0334 6.3866 6.3957 6.6409 6.6538 6.8182 6.8250 6.9135 6.9171 6.9411 6.9460 7.2742 7.2978 7.5219 7.5254 7.6931 7.7280 7.7589 7.7590 7.8445 7.8769 8.0764 8.0825 8.4116 8.4246 8.5800 8.6056 k = 0.5947 0.0899-1.0487 ( 4345 PWs) bands (ev): -6.7172 -6.7166 -6.3281 -6.3276 -4.9431 -4.9406 -4.7229 -4.7216 1.6629 1.6647 2.0881 2.0902 2.5449 2.5459 2.7308 2.7315 3.8842 3.8933 3.9121 3.9161 4.2297 4.2314 4.2807 4.2896 4.8730 4.8854 5.3584 5.3724 5.5124 5.5206 6.0278 6.0375 6.3895 6.3977 6.6508 6.6645 6.8119 6.8192 6.9035 6.9036 6.9386 6.9486 7.2752 7.2984 7.5348 7.5397 7.7122 7.7536 7.7760 7.7864 7.8632 7.8940 8.1002 8.1059 8.4099 8.4209 8.5412 8.5686 k = 0.5915 0.0894-1.0123 ( 4337 PWs) bands (ev): -6.7501 -6.7494 -6.3588 -6.3583 -4.9680 -4.9654 -4.7464 -4.7451 1.6418 1.6432 2.1687 2.1702 2.5995 2.6001 2.7315 2.7327 3.9235 3.9276 3.9478 3.9570 4.2411 4.2427 4.3459 4.3548 4.8804 4.8931 5.3632 5.3775 5.5215 5.5303 6.0324 6.0424 6.3938 6.4008 6.6609 6.6754 6.8054 6.8133 6.8890 6.8901 6.9421 6.9549 7.2773 7.3000 7.5476 7.5538 7.7302 7.7733 7.7991 7.8152 7.8822 7.9115 8.1243 8.1295 8.4028 8.4119 8.5106 8.5394 k = 0.5884 0.0889-0.9759 ( 4338 PWs) bands (ev): -6.7827 -6.7821 -6.3894 -6.3889 -4.9928 -4.9903 -4.7699 -4.7685 1.6179 1.6190 2.2529 2.2538 2.6162 2.6169 2.7709 2.7723 3.9348 3.9390 4.0118 4.0211 4.2523 4.2538 4.4117 4.4207 4.8886 4.9015 5.3685 5.3831 5.5296 5.5390 6.0377 6.0481 6.3994 6.4051 6.6711 6.6862 6.7984 6.8072 6.8746 6.8757 6.9495 6.9639 7.2804 7.3024 7.5598 7.5675 7.7469 7.7877 7.8270 7.8451 7.9018 7.9293 8.1485 8.1531 8.3876 8.3959 8.4916 8.5203 k = 0.5852 0.0885-0.9394 ( 4342 PWs) bands (ev): -6.8152 -6.8146 -6.4198 -6.4193 -5.0175 -5.0149 -4.7933 -4.7920 1.5923 1.5931 2.3395 2.3397 2.6049 2.6063 2.8390 2.8403 3.9457 3.9499 4.0763 4.0856 4.2633 4.2646 4.4779 4.4871 4.8977 4.9108 5.3745 5.3893 5.5364 5.5464 6.0438 6.0546 6.4063 6.4107 6.6811 6.6968 6.7909 6.8007 6.8609 6.8614 6.9598 6.9753 7.2843 7.3056 7.5709 7.5799 7.7625 7.7998 7.8564 7.8758 7.9222 7.9479 8.1729 8.1766 8.3660 8.3744 8.4836 8.5106 k = 0.5821 0.0880-0.9030 ( 4342 PWs) bands (ev): -6.8473 -6.8467 -6.4499 -6.4494 -5.0419 -5.0394 -4.8165 -4.8152 1.5658 1.5664 2.4259 2.4273 2.5849 2.5878 2.9170 2.9181 3.9561 3.9603 4.1407 4.1502 4.2741 4.2753 4.5442 4.5535 4.9076 4.9208 5.3811 5.3962 5.5419 5.5524 6.0505 6.0618 6.4144 6.4175 6.6911 6.7070 6.7826 6.7938 6.8479 6.8483 6.9728 6.9889 7.2891 7.3094 7.5802 7.5902 7.7772 7.8112 7.8860 7.9070 7.9440 7.9675 8.1974 8.1998 8.3430 8.3512 8.4826 8.5075 k = 0.5789 0.0875-0.8666 ( 4340 PWs) bands (ev): -6.8790 -6.8784 -6.4796 -6.4790 -5.0660 -5.0636 -4.8395 -4.8382 1.5388 1.5392 2.5050 2.5120 2.5660 2.5746 2.9983 2.9993 3.9660 3.9702 4.2048 4.2146 4.2849 4.2857 4.6104 4.6197 4.9184 4.9317 5.3884 5.4036 5.5461 5.5571 6.0580 6.0697 6.4237 6.4254 6.7010 6.7167 6.7736 6.7865 6.8352 6.8369 6.9879 7.0044 7.2946 7.3138 7.5866 7.5970 7.7915 7.8227 7.9149 7.9385 7.9675 7.9884 8.2218 8.2224 8.3232 8.3298 8.4854 8.5084 k = 0.5757 0.0870-0.8301 ( 4343 PWs) bands (ev): -6.9101 -6.9095 -6.5087 -6.5082 -5.0897 -5.0873 -4.8622 -4.8609 1.5115 1.5118 2.5238 2.5296 2.6138 2.6210 3.0811 3.0820 3.9754 3.9796 4.2666 4.2776 4.2967 4.2972 4.6760 4.6854 4.9301 4.9435 5.3964 5.4116 5.5489 5.5604 6.0660 6.0783 6.4339 6.4343 6.7110 6.7257 6.7641 6.7792 6.8237 6.8268 7.0051 7.0216 7.3007 7.3187 7.5890 7.5989 7.8061 7.8355 7.9428 7.9698 7.9928 8.0108 8.2434 8.2461 8.3097 8.3126 8.4905 8.5118 k = 0.5726 0.0865-0.7937 ( 4347 PWs) bands (ev): -6.9406 -6.9400 -6.5373 -6.5368 -5.1130 -5.1107 -4.8844 -4.8832 1.4844 1.4846 2.5039 2.5066 2.7019 2.7061 3.1644 3.1651 3.9843 3.9884 4.3001 4.3038 4.3367 4.3434 4.7409 4.7503 4.9426 4.9559 5.4050 5.4203 5.5505 5.5623 6.0747 6.0874 6.4440 6.4448 6.7206 6.7331 6.7542 6.7726 6.8132 6.8177 7.0238 7.0404 7.3075 7.3241 7.5862 7.5947 7.8219 7.8507 7.9697 8.0007 8.0200 8.0348 8.2601 8.2691 8.3019 8.3063 8.4971 8.5169 k = 0.5694 0.0861-0.7573 ( 4345 PWs) bands (ev): -6.9704 -6.9698 -6.5652 -6.5647 -5.1357 -5.1335 -4.9063 -4.9051 1.4574 1.4575 2.4802 2.4819 2.7918 2.7949 3.2475 3.2481 3.9926 3.9966 4.3109 4.3131 4.3978 4.4058 4.8049 4.8142 4.9559 4.9691 5.4144 5.4296 5.5507 5.5628 6.0838 6.0970 6.4543 6.4563 6.7289 6.7366 6.7455 6.7694 6.8039 6.8099 7.0439 7.0603 7.3148 7.3298 7.5776 7.5838 7.8397 7.8689 7.9961 8.0313 8.0484 8.0604 8.2701 8.2843 8.3048 8.3158 8.5049 8.5233 k = 0.5663 0.0856-0.7208 ( 4342 PWs) bands (ev): -6.9993 -6.9988 -6.5924 -6.5919 -5.1579 -5.1557 -4.9276 -4.9264 1.4309 1.4309 2.4558 2.4570 2.8816 2.8842 3.3302 3.3307 4.0003 4.0042 4.3199 4.3216 4.4591 4.4673 4.8676 4.8768 4.9700 4.9830 5.4244 5.4395 5.5498 5.5621 6.0933 6.1070 6.4652 6.4682 6.7283 6.7340 6.7454 6.7717 6.7956 6.8033 7.0650 7.0810 7.3226 7.3357 7.5632 7.5665 7.8599 7.8903 8.0226 8.0617 8.0774 8.0873 8.2776 8.2878 8.3252 8.3340 8.5140 8.5310 k = 0.5631 0.0851-0.6844 ( 4350 PWs) bands (ev): -7.0274 -7.0269 -6.6187 -6.6183 -5.1794 -5.1772 -4.9483 -4.9472 1.4048 1.4049 2.4315 2.4324 2.9707 2.9730 3.4119 3.4123 4.0073 4.0112 4.3280 4.3294 4.5194 4.5276 4.9287 4.9379 4.9848 4.9974 5.4350 5.4500 5.5477 5.5602 6.1032 6.1174 6.4764 6.4801 6.7194 6.7270 6.7526 6.7765 6.7892 6.7982 7.0867 7.1024 7.3308 7.3417 7.5437 7.5440 7.8826 7.9145 8.0497 8.0919 8.1064 8.1149 8.2873 8.2931 8.3491 8.3554 8.5241 8.5399 k = 0.5600 0.0846-0.6480 ( 4345 PWs) bands (ev): -7.0546 -7.0540 -6.6442 -6.6438 -5.2002 -5.1981 -4.9684 -4.9673 1.3794 1.3795 2.4077 2.4084 3.0588 3.0608 3.4924 3.4927 4.0138 4.0176 4.3355 4.3367 4.5783 4.5865 4.9869 4.9974 5.0014 5.0123 5.4463 5.4610 5.5447 5.5573 6.1133 6.1280 6.4878 6.4920 6.7097 6.7186 6.7585 6.7752 6.7908 6.7960 7.1088 7.1241 7.3396 7.3478 7.5176 7.5201 7.9075 7.9408 8.0780 8.1221 8.1349 8.1431 8.3007 8.3026 8.3737 8.3779 8.5355 8.5501 k = 0.5568 0.0842-0.6115 ( 4339 PWs) bands (ev): -7.0807 -7.0802 -6.6687 -6.6683 -5.2202 -5.2182 -4.9877 -4.9867 1.3548 1.3548 2.3845 2.3850 3.1454 3.1472 3.5714 3.5715 4.0198 4.0234 4.3424 4.3434 4.6356 4.6436 5.0142 5.0275 5.0475 5.0550 5.4581 5.4725 5.5409 5.5535 6.1236 6.1387 6.4992 6.5037 6.7002 6.7098 6.7601 6.7684 6.7980 6.7980 7.1308 7.1457 7.3487 7.3535 7.4894 7.4939 7.9343 7.9685 8.1077 8.1519 8.1627 8.1721 8.3160 8.3178 8.3984 8.4007 8.5482 8.5616 k = 0.5537 0.0837-0.5751 ( 4343 PWs) bands (ev): -7.1057 -7.1052 -6.6922 -6.6918 -5.2394 -5.2375 -5.0064 -5.0054 1.3310 1.3311 2.3620 2.3624 3.2302 3.2319 3.6484 3.6484 4.0252 4.0286 4.3487 4.3495 4.6910 4.6989 5.0304 5.0429 5.1030 5.1105 5.4703 5.4845 5.5364 5.5490 6.1340 6.1495 6.5105 6.5150 6.6912 6.7011 6.7573 6.7606 6.8037 6.8053 7.1523 7.1669 7.3580 7.3580 7.4616 7.4666 7.9625 7.9968 8.1387 8.1798 8.1898 8.2027 8.3326 8.3381 8.4230 8.4235 8.5622 8.5746 k = 0.5505 0.0832-0.5386 ( 4341 PWs) bands (ev): -7.1296 -7.1292 -6.7147 -6.7143 -5.2577 -5.2559 -5.0242 -5.0233 1.3081 1.3082 2.3403 2.3407 3.3128 3.3144 3.7232 3.7233 4.0301 4.0334 4.3544 4.3550 4.7445 4.7521 5.0465 5.0584 5.1568 5.1639 5.4829 5.4966 5.5316 5.5440 6.1444 6.1604 6.5216 6.5259 6.6829 6.6929 6.7520 6.7524 6.8104 6.8113 7.1728 7.1871 7.3590 7.3666 7.4381 7.4407 7.9916 8.0252 8.1704 8.2051 8.2166 8.2357 8.3520 8.3610 8.4461 8.4474 8.5778 8.5892 k = 0.5473 0.0827-0.5022 ( 4341 PWs) bands (ev): -7.1523 -7.1519 -6.7361 -6.7357 -5.2752 -5.2734 -5.0412 -5.0403 1.2863 1.2864 2.3196 2.3199 3.3930 3.3944 3.7954 3.7956 4.0344 4.0376 4.3595 4.3600 4.7957 4.8031 5.0624 5.0739 5.2083 5.2151 5.4951 5.5085 5.5270 5.5391 6.1549 6.1712 6.5323 6.5362 6.6753 6.6852 6.7441 6.7455 6.8155 6.8162 7.1915 7.2056 7.3520 7.3709 7.4212 7.4251 8.0213 8.0534 8.2010 8.2274 8.2444 8.2707 8.3735 8.3859 8.4683 8.4713 8.5950 8.6055 k = 0.5442 0.0823-0.4658 ( 4339 PWs) bands (ev): -7.1738 -7.1734 -6.7562 -6.7559 -5.2917 -5.2900 -5.0572 -5.0564 1.2655 1.2657 2.2999 2.3002 3.4702 3.4715 3.8648 3.8651 4.0384 4.0413 4.3641 4.3645 4.8446 4.8516 5.0782 5.0890 5.2575 5.2639 5.5049 5.5183 5.5248 5.5363 6.1654 6.1820 6.5427 6.5459 6.6684 6.6781 6.7355 6.7382 6.8170 6.8199 7.2075 7.2212 7.3367 7.3634 7.4173 7.4248 8.0512 8.0811 8.2281 8.2471 8.2752 8.3071 8.3968 8.4122 8.4899 8.4945 8.6139 8.6233 k = 0.5410 0.0818-0.4293 ( 4334 PWs) bands (ev): -7.1940 -7.1936 -6.7752 -6.7749 -5.3072 -5.3056 -5.0724 -5.0716 1.2459 1.2461 2.2813 2.2815 3.5442 3.5454 3.9311 3.9315 4.0418 4.0446 4.3682 4.3685 4.8909 4.8975 5.0936 5.1038 5.3041 5.3102 5.5065 5.5201 5.5311 5.5418 6.1758 6.1926 6.5526 6.5550 6.6624 6.6717 6.7268 6.7306 6.8155 6.8204 7.2197 7.2319 7.3200 7.3477 7.4269 7.4330 8.0810 8.1081 8.2503 8.2642 8.3099 8.3441 8.4214 8.4394 8.5105 8.5166 8.6345 8.6420 k = 0.5379 0.0813-0.3929 ( 4334 PWs) bands (ev): -7.2129 -7.2125 -6.7930 -6.7927 -5.3216 -5.3202 -5.0865 -5.0858 1.2276 1.2277 2.2639 2.2641 3.6146 3.6157 3.9939 3.9944 4.0449 4.0476 4.3718 4.3720 4.9344 4.9407 5.1085 5.1181 5.3478 5.3539 5.5023 5.5161 5.5432 5.5532 6.1863 6.2032 6.5619 6.5633 6.6572 6.6659 6.7180 6.7226 6.8107 6.8172 7.2267 7.2351 7.3089 7.3336 7.4419 7.4457 8.1104 8.1344 8.2680 8.2789 8.3472 8.3810 8.4472 8.4671 8.5299 8.5371 8.6565 8.6572 k = 0.5347 0.0808-0.3565 ( 4338 PWs) bands (ev): -7.2303 -7.2300 -6.8094 -6.8091 -5.3351 -5.3338 -5.0997 -5.0990 1.2105 1.2106 2.2477 2.2478 3.6810 3.6820 4.0473 4.0479 4.0533 4.0558 4.3749 4.3750 4.9751 4.9809 5.1228 5.1317 5.3880 5.3945 5.4971 5.5117 5.5568 5.5660 6.1968 6.2137 6.5706 6.5708 6.6529 6.6608 6.7092 6.7146 6.8024 6.8099 7.2277 7.2298 7.3063 7.3248 7.4594 7.4613 8.1390 8.1599 8.2823 8.2912 8.3854 8.4168 8.4742 8.4949 8.5477 8.5557 8.6651 8.6725 k = 0.5316 0.0803-0.3200 ( 4338 PWs) bands (ev): -7.2464 -7.2461 -6.8245 -6.8243 -5.3474 -5.3462 -5.1118 -5.1112 1.1947 1.1949 2.2327 2.2328 3.7430 3.7440 4.0499 4.0518 4.1083 4.1092 4.3777 4.3777 5.0128 5.0180 5.1364 5.1445 5.4231 5.4311 5.4928 5.5093 5.5708 5.5789 6.2073 6.2242 6.5774 6.5785 6.6494 6.6562 6.7006 6.7066 6.7907 6.7985 7.2200 7.2235 7.3092 7.3217 7.4782 7.4786 8.1667 8.1845 8.2940 8.3014 8.4232 8.4505 8.5027 8.5227 8.5636 8.5722 8.6720 8.6781 k = 0.5284 0.0799-0.2836 ( 4338 PWs) bands (ev): -7.2610 -7.2608 -6.8383 -6.8381 -5.3587 -5.3576 -5.1229 -5.1223 1.1803 1.1805 2.2190 2.2191 3.8004 3.8013 4.0519 4.0537 4.1591 4.1601 4.3800 4.3800 5.0474 5.0520 5.1492 5.1564 5.4494 5.4590 5.4944 5.5129 5.5847 5.5917 6.2180 6.2346 6.5830 6.5854 6.6468 6.6521 6.6923 6.6987 6.7761 6.7835 7.2096 7.2166 7.3139 7.3222 7.4967 7.4974 8.1930 8.2079 8.3035 8.3098 8.4594 8.4811 8.5323 8.5503 8.5773 8.5865 8.6794 8.6844 k = 0.5252 0.0794-0.2472 ( 4341 PWs) bands (ev): -7.2742 -7.2740 -6.8507 -6.8505 -5.3688 -5.3678 -5.1328 -5.1323 1.1674 1.1675 2.2067 2.2067 3.8527 3.8535 4.0537 4.0553 4.2055 4.2064 4.3820 4.3821 5.0786 5.0826 5.1611 5.1674 5.4616 5.4669 5.5130 5.5276 5.5984 5.6041 6.2288 6.2448 6.5876 6.5914 6.6448 6.6484 6.6846 6.6911 6.7594 6.7658 7.2006 7.2089 7.3188 7.3244 7.5149 7.5163 8.2177 8.2299 8.3112 8.3165 8.4929 8.5083 8.5618 8.5774 8.5890 8.5994 8.6875 8.6913 k = 0.5221 0.0789-0.2107 ( 4351 PWs) bands (ev): -7.2859 -7.2857 -6.8617 -6.8615 -5.3778 -5.3769 -5.1416 -5.1412 1.1558 1.1559 2.1957 2.1957 3.8997 3.9004 4.0552 4.0566 4.2471 4.2480 4.3837 4.3837 5.1063 5.1096 5.1720 5.1774 5.4630 5.4643 5.5391 5.5498 5.6117 5.6161 6.2396 6.2549 6.5911 6.5960 6.6433 6.6449 6.6777 6.6838 6.7414 6.7464 7.1935 7.2019 7.3231 7.3271 7.5324 7.5343 8.2402 8.2500 8.3177 8.3221 8.5229 8.5325 8.5870 8.5962 8.6065 8.6140 8.6956 8.6985 k = 0.5189 0.0784-0.1743 ( 4350 PWs) bands (ev): -7.2961 -7.2959 -6.8713 -6.8711 -5.3856 -5.3848 -5.1493 -5.1490 1.1458 1.1459 2.1861 2.1861 3.9410 3.9416 4.0565 4.0577 4.2837 4.2846 4.3851 4.3851 5.1305 5.1330 5.1821 5.1864 5.4599 5.4604 5.5637 5.5727 5.6245 5.6275 6.2505 6.2648 6.5937 6.5993 6.6411 6.6416 6.6719 6.6772 6.7234 6.7268 7.1881 7.1958 7.3269 7.3298 7.5487 7.5507 8.2602 8.2678 8.3232 8.3267 8.5490 8.5539 8.6020 8.6040 8.6325 8.6354 8.7035 8.7054 k = 0.5158 0.0780-0.1379 ( 4360 PWs) bands (ev): -7.3047 -7.3045 -6.8794 -6.8793 -5.3922 -5.3916 -5.1559 -5.1555 1.1372 1.1373 2.1780 2.1780 3.9764 3.9769 4.0577 4.0587 4.3150 4.3158 4.3862 4.3863 5.1508 5.1524 5.1913 5.1944 5.4554 5.4565 5.5850 5.5930 5.6366 5.6383 6.2612 6.2741 6.5955 6.6011 6.6365 6.6386 6.6675 6.6715 6.7068 6.7088 7.1842 7.1908 7.3299 7.3321 7.5632 7.5652 8.2771 8.2827 8.3284 8.3309 8.5710 8.5727 8.6095 8.6096 8.6574 8.6597 8.7106 8.7117 k = 0.5126 0.0775-0.1014 ( 4356 PWs) bands (ev): -7.3118 -7.3116 -6.8861 -6.8860 -5.3976 -5.3971 -5.1612 -5.1610 1.1302 1.1303 2.1713 2.1713 4.0055 4.0059 4.0589 4.0596 4.3409 4.3416 4.3872 4.3873 5.1670 5.1678 5.1997 5.2017 5.4514 5.4526 5.6024 5.6094 5.6478 5.6486 6.2715 6.2826 6.5968 6.6017 6.6307 6.6334 6.6649 6.6675 6.6930 6.6941 7.1816 7.1870 7.3324 7.3340 7.5757 7.5774 8.2905 8.2943 8.3334 8.3350 8.5887 8.5889 8.6136 8.6143 8.6797 8.6819 8.7167 8.7173 k = 0.5095 0.0770-0.0650 ( 4357 PWs) bands (ev): -7.3173 -7.3172 -6.8913 -6.8912 -5.4018 -5.4014 -5.1654 -5.1652 1.1247 1.1248 2.1661 2.1661 4.0279 4.0282 4.0602 4.0607 4.3611 4.3617 4.3881 4.3882 5.1790 5.1790 5.2071 5.2081 5.4480 5.4491 5.6157 5.6214 5.6576 5.6578 6.2810 6.2898 6.5977 6.6013 6.6237 6.6257 6.6637 6.6655 6.6826 6.6833 7.1800 7.1840 7.3343 7.3354 7.5856 7.5870 8.3001 8.3024 8.3385 8.3392 8.6018 8.6027 8.6166 8.6172 8.6982 8.6999 8.7219 8.7220 k = 0.5063 0.0765-0.0286 ( 4365 PWs) bands (ev): -7.3212 -7.3212 -6.8950 -6.8949 -5.4048 -5.4046 -5.1684 -5.1682 1.1208 1.1208 2.1623 2.1623 4.0432 4.0433 4.0620 4.0623 4.3753 4.3757 4.3891 4.3892 5.1866 5.1869 5.2131 5.2134 5.4456 5.4464 5.6252 5.6291 5.6653 5.6653 6.2889 6.2951 6.5985 6.6003 6.6170 6.6175 6.6635 6.6648 6.6758 6.6762 7.1791 7.1817 7.3356 7.3364 7.5930 7.5940 8.3062 8.3074 8.3429 8.3431 8.6115 8.6124 8.6186 8.6191 8.7116 8.7124 8.7259 8.7265 k = 0.5032 0.0761 0.0079 ( 4369 PWs) bands (ev): -7.3236 -7.3236 -6.8972 -6.8972 -5.4066 -5.4065 -5.1701 -5.1701 1.1184 1.1185 2.1601 2.1601 4.0507 4.0508 4.0648 4.0648 4.3828 4.3831 4.3908 4.3908 5.1909 5.1911 5.2170 5.2170 5.4441 5.4445 5.6310 5.6330 5.6702 5.6702 6.2947 6.2979 6.5991 6.5994 6.6116 6.6120 6.6641 6.6648 6.6717 6.6718 7.1789 7.1802 7.3365 7.3368 7.5975 7.5981 8.3095 8.3100 8.3459 8.3459 8.6175 8.6179 8.6201 8.6202 8.7188 8.7189 8.7296 8.7303 k = 0.5000 0.0756 0.0443 ( 4380 PWs) bands (ev): -7.3244 -7.3244 -6.8979 -6.8979 -5.4071 -5.4071 -5.1707 -5.1707 1.1177 1.1177 2.1593 2.1593 4.0526 4.0526 4.0662 4.0662 4.3847 4.3847 4.3920 4.3920 5.1923 5.1923 5.2183 5.2183 5.4438 5.4438 5.6336 5.6336 5.6719 5.6719 6.2978 6.2978 6.5991 6.5991 6.6097 6.6097 6.6647 6.6647 6.6703 6.6703 7.1792 7.1792 7.3369 7.3369 7.5993 7.5993 8.3106 8.3106 8.3469 8.3469 8.6193 8.6193 8.6208 8.6208 8.7207 8.7207 8.7316 8.7316 k = 0.5000-1.6161-0.9473 ( 4364 PWs) bands (ev): -6.2340 -6.2340 -5.8470 -5.8470 -4.6525 -4.6525 -4.3124 -4.3124 0.8703 0.8703 1.4892 1.4892 2.0257 2.0257 2.7761 2.7761 3.3473 3.3473 3.5840 3.5840 3.7258 3.7258 4.0665 4.0665 4.8302 4.8302 5.0509 5.0509 5.3424 5.3424 6.2172 6.2172 6.3561 6.3561 6.6881 6.6881 6.9237 6.9237 7.0683 7.0683 7.1442 7.1442 7.2777 7.2777 7.3166 7.3166 7.4273 7.4273 7.5549 7.5549 7.6366 7.6366 7.6892 7.6892 8.2494 8.2494 8.7860 8.7860 k = 0.5328-1.6086-0.9429 ( 4364 PWs) bands (ev): -6.2339 -6.2339 -5.8472 -5.8472 -4.6518 -4.6518 -4.3130 -4.3130 0.8704 0.8704 1.4890 1.4891 2.0261 2.0264 2.7777 2.7784 3.3433 3.3437 3.5835 3.5836 3.7258 3.7258 4.0665 4.0665 4.8302 4.8302 5.0539 5.0542 5.3423 5.3423 6.2136 6.2151 6.3565 6.3589 6.6879 6.6881 6.9236 6.9237 7.0676 7.0688 7.1440 7.1443 7.2770 7.2782 7.3160 7.3175 7.4269 7.4272 7.5540 7.5557 7.6356 7.6374 7.6900 7.6901 8.2501 8.2508 8.7836 8.7841 k = 0.5656-1.6010-0.9384 ( 4364 PWs) bands (ev): -6.2337 -6.2337 -5.8479 -5.8479 -4.6498 -4.6498 -4.3148 -4.3148 0.8707 0.8707 1.4885 1.4886 2.0278 2.0284 2.7831 2.7844 3.3320 3.3329 3.5820 3.5823 3.7257 3.7258 4.0665 4.0665 4.8303 4.8304 5.0631 5.0636 5.3422 5.3422 6.2048 6.2075 6.3601 6.3643 6.6874 6.6878 6.9236 6.9237 7.0670 7.0693 7.1437 7.1443 7.2762 7.2784 7.3155 7.3184 7.4260 7.4265 7.5530 7.5563 7.6344 7.6380 7.6925 7.6926 8.2529 8.2543 8.7770 8.7781 k = 0.5985-1.5935-0.9340 ( 4362 PWs) bands (ev): -6.2332 -6.2332 -5.8491 -5.8490 -4.6464 -4.6464 -4.3178 -4.3178 0.8712 0.8712 1.4876 1.4878 2.0307 2.0315 2.7921 2.7941 3.3142 3.3156 3.5793 3.5797 3.7257 3.7259 4.0664 4.0665 4.8304 4.8306 5.0781 5.0789 5.3420 5.3420 6.1918 6.1952 6.3659 6.3715 6.6867 6.6873 6.9235 6.9238 7.0664 7.0697 7.1434 7.1443 7.2753 7.2785 7.3153 7.3195 7.4247 7.4254 7.5521 7.5566 7.6331 7.6382 7.6965 7.6967 8.2578 8.2598 8.7668 8.7683 k = 0.6313-1.5859-0.9296 ( 4359 PWs) bands (ev): -6.2327 -6.2326 -5.8506 -5.8505 -4.6419 -4.6419 -4.3219 -4.3219 0.8718 0.8718 1.4864 1.4867 2.0350 2.0360 2.8044 2.8071 3.2911 3.2930 3.5750 3.5755 3.7258 3.7259 4.0664 4.0665 4.8306 4.8308 5.0982 5.0992 5.3417 5.3418 6.1757 6.1793 6.3730 6.3794 6.6859 6.6866 6.9235 6.9238 7.0658 7.0699 7.1430 7.1441 7.2744 7.2783 7.3153 7.3205 7.4231 7.4239 7.5511 7.5567 7.6317 7.6382 7.7020 7.7021 8.2646 8.2672 8.7537 8.7555 k = 0.6641-1.5784-0.9251 ( 4361 PWs) bands (ev): -6.2320 -6.2319 -5.8524 -5.8523 -4.6362 -4.6362 -4.3270 -4.3269 0.8726 0.8727 1.4848 1.4851 2.0405 2.0417 2.8196 2.8230 3.2639 3.2664 3.5688 3.5693 3.7258 3.7259 4.0663 4.0664 4.8309 4.8311 5.1227 5.1238 5.3414 5.3414 6.1573 6.1609 6.3805 6.3874 6.6849 6.6858 6.9235 6.9238 7.0652 7.0700 7.1427 7.1439 7.2735 7.2779 7.3154 7.3216 7.4212 7.4221 7.5501 7.5564 7.6304 7.6378 7.7087 7.7087 8.2732 8.2762 8.7383 8.7404 k = 0.6969-1.5708-0.9207 ( 4365 PWs) bands (ev): -6.2312 -6.2312 -5.8544 -5.8543 -4.6297 -4.6297 -4.3329 -4.3328 0.8736 0.8736 1.4829 1.4832 2.0473 2.0486 2.8372 2.8413 3.2340 3.2372 3.5606 3.5611 3.7258 3.7259 4.0663 4.0664 4.8312 4.8314 5.1505 5.1517 5.3410 5.3411 6.1372 6.1405 6.3880 6.3949 6.6838 6.6850 6.9234 6.9239 7.0647 7.0699 7.1422 7.1436 7.2727 7.2773 7.3158 7.3226 7.4192 7.4201 7.5492 7.5558 7.6292 7.6373 7.7162 7.7163 8.2833 8.2866 8.7216 8.7239 k = 0.7298-1.5632-0.9163 ( 4373 PWs) bands (ev): -6.2303 -6.2303 -5.8566 -5.8565 -4.6225 -4.6225 -4.3394 -4.3394 0.8746 0.8747 1.4807 1.4810 2.0553 2.0566 2.8566 2.8614 3.2026 3.2065 3.5506 3.5510 3.7258 3.7260 4.0662 4.0663 4.8314 4.8317 5.1806 5.1819 5.3405 5.3407 6.1159 6.1189 6.3951 6.4019 6.6826 6.6840 6.9234 6.9239 7.0644 7.0697 7.1418 7.1432 7.2719 7.2766 7.3162 7.3235 7.4172 7.4180 7.5484 7.5549 7.6282 7.6365 7.7242 7.7245 8.2947 8.2980 8.7043 8.7067 k = 0.7626-1.5557-0.9119 ( 4370 PWs) bands (ev): -6.2295 -6.2295 -5.8588 -5.8587 -4.6149 -4.6148 -4.3464 -4.3464 0.8758 0.8758 1.4783 1.4786 2.0641 2.0655 2.8772 2.8828 3.1709 3.1757 3.5391 3.5395 3.7259 3.7260 4.0662 4.0662 4.8317 4.8320 5.2119 5.2131 5.3401 5.3403 6.0942 6.0968 6.4017 6.4080 6.6816 6.6832 6.9233 6.9239 7.0642 7.0694 7.1415 7.1429 7.2714 7.2759 7.3166 7.3244 7.4153 7.4160 7.5477 7.5539 7.6275 7.6357 7.7326 7.7330 8.3069 8.3101 8.6872 8.6896 k = 0.7954-1.5481-0.9074 ( 4365 PWs) bands (ev): -6.2287 -6.2287 -5.8609 -5.8609 -4.6072 -4.6071 -4.3536 -4.3535 0.8769 0.8770 1.4759 1.4761 2.0734 2.0747 2.8983 2.9047 3.1401 3.1458 3.5267 3.5269 3.7260 3.7260 4.0661 4.0662 4.8320 4.8324 5.2431 5.2442 5.3397 5.3399 6.0725 6.0748 6.4076 6.4132 6.6806 6.6825 6.9233 6.9239 7.0641 7.0689 7.1411 7.1425 7.2709 7.2750 7.3172 7.3251 7.4135 7.4141 7.5472 7.5527 7.6271 7.6348 7.7408 7.7413 8.3194 8.3223 8.6710 8.6733 k = 0.8282-1.5406-0.9030 ( 4360 PWs) bands (ev): -6.2280 -6.2280 -5.8629 -5.8629 -4.5997 -4.5997 -4.3605 -4.3605 0.8781 0.8781 1.4735 1.4737 2.0826 2.0839 2.9191 2.9264 3.1112 3.1180 3.5140 3.5140 3.7260 3.7261 4.0661 4.0662 4.8323 4.8327 5.2729 5.2737 5.3393 5.3396 6.0518 6.0537 6.4126 6.4174 6.6798 6.6819 6.9233 6.9240 7.0642 7.0684 7.1408 7.1421 7.2707 7.2742 7.3177 7.3257 7.4120 7.4124 7.5468 7.5514 7.6271 7.6340 7.7485 7.7492 8.3315 8.3339 8.6562 8.6582 Writing output data file Fe3S4.save init_run : 1.42s CPU 0.87s WALL ( 1 calls) electrons : 1088.26s CPU 786.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.24s CPU 0.21s WALL ( 1 calls) Called by electrons: c_bands : 1088.26s CPU 786.78s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.04s WALL ( 1 calls) newd : 0.39s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.41s CPU 0.58s WALL ( 324 calls) cegterg : 912.72s CPU 687.94s WALL ( 648 calls) Called by sum_band: Called by *egterg: h_psi : 960.28s CPU 661.30s WALL ( 10031 calls) s_psi : 14.58s CPU 13.46s WALL ( 10031 calls) g_psi : 0.29s CPU 0.34s WALL ( 9059 calls) cdiaghg : 77.38s CPU 76.72s WALL ( 9383 calls) cegterg:over : 9.37s CPU 9.63s WALL ( 9059 calls) cegterg:upda : 8.47s CPU 8.67s WALL ( 9059 calls) cegterg:last : 4.48s CPU 4.56s WALL ( 1620 calls) cdiaghg:chol : 4.54s CPU 4.52s WALL ( 9383 calls) cdiaghg:inve : 2.98s CPU 2.80s WALL ( 9383 calls) cdiaghg:para : 4.67s CPU 4.73s WALL ( 18766 calls) Called by h_psi: h_psi:vloc : 926.06s CPU 629.25s WALL ( 10031 calls) h_psi:vnl : 33.84s CPU 31.67s WALL ( 10031 calls) add_vuspsi : 18.69s CPU 17.47s WALL ( 10031 calls) General routines calbec : 15.09s CPU 14.16s WALL ( 10031 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 840.29s CPU 549.87s WALL ( 1086488 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.46s CPU 1.07s WALL ( 648 calls) Parallel routines fft_scatter : 124.49s CPU 110.07s WALL ( 1086511 calls) PWSCF : 18m28.21s CPU 13m53.38s WALL This run was terminated on: 4:27:57 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=