Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:35:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgRhO2.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 33 10 1108 514 86 Max 55 34 11 1112 531 87 Sum 1975 1203 365 39995 18829 3127 bravais-lattice index = 14 lattice parameter (alat) = 12.1797 a.u. unit-cell volume = 341.0702 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.179671 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.886645 celldm(5)= 0.886645 celldm(6)= 0.886645 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.886645 0.462450 0.000000 ) a(3) = ( 0.886645 0.217332 0.408199 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.917278 -1.151297 ) b(2) = ( 0.000000 2.162396 -1.151297 ) b(3) = ( 0.000000 0.000000 2.449784 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Rh 17.00 102.90550 Rh( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 385 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0083333 -0.0159773 -0.0095941), wk = 0.0025974 k( 3) = ( 0.0166667 -0.0319546 -0.0191883), wk = 0.0025974 k( 4) = ( 0.0250000 -0.0479320 -0.0287824), wk = 0.0025974 k( 5) = ( 0.0333333 -0.0639093 -0.0383766), wk = 0.0025974 k( 6) = ( 0.0416667 -0.0798866 -0.0479707), wk = 0.0025974 k( 7) = ( 0.0500000 -0.0958639 -0.0575649), wk = 0.0025974 k( 8) = ( 0.0583333 -0.1118412 -0.0671590), wk = 0.0025974 k( 9) = ( 0.0666667 -0.1278185 -0.0767531), wk = 0.0025974 k( 10) = ( 0.0750000 -0.1437959 -0.0863473), wk = 0.0025974 k( 11) = ( 0.0833333 -0.1597732 -0.0959414), wk = 0.0025974 k( 12) = ( 0.0916667 -0.1757505 -0.1055356), wk = 0.0025974 k( 13) = ( 0.1000000 -0.1917278 -0.1151297), wk = 0.0025974 k( 14) = ( 0.1083333 -0.2077051 -0.1247238), wk = 0.0025974 k( 15) = ( 0.1166667 -0.2236824 -0.1343180), wk = 0.0025974 k( 16) = ( 0.1250000 -0.2396598 -0.1439121), wk = 0.0025974 k( 17) = ( 0.1333333 -0.2556371 -0.1535063), wk = 0.0025974 k( 18) = ( 0.1416667 -0.2716144 -0.1631004), wk = 0.0025974 k( 19) = ( 0.1500000 -0.2875917 -0.1726946), wk = 0.0025974 k( 20) = ( 0.1583333 -0.3035690 -0.1822887), wk = 0.0025974 k( 21) = ( 0.1666667 -0.3195463 -0.1918829), wk = 0.0025974 k( 22) = ( 0.1750000 -0.3355237 -0.2014770), wk = 0.0025974 k( 23) = ( 0.1833333 -0.3515010 -0.2110711), wk = 0.0025974 k( 24) = ( 0.1916667 -0.3674783 -0.2206653), wk = 0.0025974 k( 25) = ( 0.2000000 -0.3834556 -0.2302594), wk = 0.0025974 k( 26) = ( 0.2083333 -0.3994329 -0.2398536), wk = 0.0025974 k( 27) = ( 0.2166667 -0.4154103 -0.2494477), wk = 0.0025974 k( 28) = ( 0.2250000 -0.4313876 -0.2590418), wk = 0.0025974 k( 29) = ( 0.2333333 -0.4473649 -0.2686360), wk = 0.0025974 k( 30) = ( 0.2416667 -0.4633422 -0.2782301), wk = 0.0025974 k( 31) = ( 0.2500000 -0.4793195 -0.2878243), wk = 0.0025974 k( 32) = ( 0.2583333 -0.4952968 -0.2974184), wk = 0.0025974 k( 33) = ( 0.2666667 -0.5112742 -0.3070126), wk = 0.0025974 k( 34) = ( 0.2750000 -0.5272515 -0.3166067), wk = 0.0025974 k( 35) = ( 0.2833333 -0.5432288 -0.3262008), wk = 0.0025974 k( 36) = ( 0.2916667 -0.5592061 -0.3357950), wk = 0.0025974 k( 37) = ( 0.3000000 -0.5751834 -0.3453891), wk = 0.0025974 k( 38) = ( 0.3083333 -0.5911607 -0.3549833), wk = 0.0025974 k( 39) = ( 0.3166667 -0.6071381 -0.3645774), wk = 0.0025974 k( 40) = ( 0.3250000 -0.6231154 -0.3741716), wk = 0.0025974 k( 41) = ( 0.3333333 -0.6390927 -0.3837657), wk = 0.0025974 k( 42) = ( 0.3416667 -0.6550700 -0.3933598), wk = 0.0025974 k( 43) = ( 0.3500000 -0.6710473 -0.4029540), wk = 0.0025974 k( 44) = ( 0.3583333 -0.6870246 -0.4125481), wk = 0.0025974 k( 45) = ( 0.3666667 -0.7030020 -0.4221423), wk = 0.0025974 k( 46) = ( 0.3750000 -0.7189793 -0.4317364), wk = 0.0025974 k( 47) = ( 0.3833333 -0.7349566 -0.4413305), wk = 0.0025974 k( 48) = ( 0.3916667 -0.7509339 -0.4509247), wk = 0.0025974 k( 49) = ( 0.4000000 -0.7669112 -0.4605188), wk = 0.0025974 k( 50) = ( 0.4083333 -0.7828885 -0.4701130), wk = 0.0025974 k( 51) = ( 0.4166667 -0.7988659 -0.4797071), wk = 0.0025974 k( 52) = ( 0.4250000 -0.8148432 -0.4893013), wk = 0.0025974 k( 53) = ( 0.4333333 -0.8308205 -0.4988954), wk = 0.0025974 k( 54) = ( 0.4416667 -0.8467978 -0.5084896), wk = 0.0025974 k( 55) = ( 0.4500000 -0.8627751 -0.5180837), wk = 0.0025974 k( 56) = ( 0.4583333 -0.8787524 -0.5276778), wk = 0.0025974 k( 57) = ( 0.4666667 -0.8947298 -0.5372720), wk = 0.0025974 k( 58) = ( 0.4750000 -0.9107071 -0.5468661), wk = 0.0025974 k( 59) = ( 0.4833333 -0.9266844 -0.5564603), wk = 0.0025974 k( 60) = ( 0.4916667 -0.9426617 -0.5660544), wk = 0.0025974 k( 61) = ( 0.5000000 -0.9586390 -0.5756485), wk = 0.0025974 k( 62) = ( 0.5000000 -0.9586390 -0.5756485), wk = 0.0025974 k( 63) = ( 0.5000000 -0.9481022 -0.5931957), wk = 0.0025974 k( 64) = ( 0.5000000 -0.9375655 -0.6107428), wk = 0.0025974 k( 65) = ( 0.5000000 -0.9270287 -0.6282899), wk = 0.0025974 k( 66) = ( 0.5000000 -0.9164919 -0.6458370), wk = 0.0025974 k( 67) = ( 0.5000000 -0.9059551 -0.6633841), wk = 0.0025974 k( 68) = ( 0.5000000 -0.8954183 -0.6809313), wk = 0.0025974 k( 69) = ( 0.5000000 -0.8848815 -0.6984783), wk = 0.0025974 k( 70) = ( 0.5000000 -0.8743448 -0.7160255), wk = 0.0025974 k( 71) = ( 0.5000000 -0.8638080 -0.7335726), wk = 0.0025974 k( 72) = ( 0.5000000 -0.8532712 -0.7511197), wk = 0.0025974 k( 73) = ( 0.5000000 -0.8427344 -0.7686668), wk = 0.0025974 k( 74) = ( 0.5000000 -0.8321976 -0.7862139), wk = 0.0025974 k( 75) = ( 0.5000000 -0.8216608 -0.8037611), wk = 0.0025974 k( 76) = ( 0.5000000 -0.8111240 -0.8213082), wk = 0.0025974 k( 77) = ( 0.5000000 -0.8005873 -0.8388553), wk = 0.0025974 k( 78) = ( 0.5000000 -0.7900505 -0.8564024), wk = 0.0025974 k( 79) = ( 0.5000000 -0.7795137 -0.8739495), wk = 0.0025974 k( 80) = ( 0.5000000 -0.7689769 -0.8914966), wk = 0.0025974 k( 81) = ( 0.5000000 -0.7584401 -0.9090438), wk = 0.0025974 k( 82) = ( 0.5000000 -0.7479034 -0.9265909), wk = 0.0025974 k( 83) = ( 0.5000000 -0.7373666 -0.9441380), wk = 0.0025974 k( 84) = ( 0.5000000 -0.7268298 -0.9616851), wk = 0.0025974 k( 85) = ( 0.5000000 -0.7162930 -0.9792322), wk = 0.0025974 k( 86) = ( 0.5000000 -0.7057562 -0.9967793), wk = 0.0025974 k( 87) = ( 0.5000000 -0.6952194 -1.0143264), wk = 0.0025974 k( 88) = ( 0.5000000 -0.6846827 -1.0318736), wk = 0.0025974 k( 89) = ( 0.5000000 -0.6741459 -1.0494207), wk = 0.0025974 k( 90) = ( 0.5000000 -0.6636091 -1.0669678), wk = 0.0025974 k( 91) = ( 0.5000000 -0.6530723 -1.0845149), wk = 0.0025974 k( 92) = ( 0.5000000 -0.6425355 -1.1020620), wk = 0.0025974 k( 93) = ( 0.5000000 -0.6319987 -1.1196092), wk = 0.0025974 k( 94) = ( 0.5000000 -0.6214620 -1.1371562), wk = 0.0025974 k( 95) = ( 0.5000000 -0.6109252 -1.1547034), wk = 0.0025974 k( 96) = ( 0.5000000 -0.6003884 -1.1722505), wk = 0.0025974 k( 97) = ( 0.5000000 -0.5898516 -1.1897976), wk = 0.0025974 k( 98) = ( 0.5000000 -0.5793148 -1.2073447), wk = 0.0025974 k( 99) = ( 0.5000000 -0.5687780 -1.2248919), wk = 0.0025974 k( 100) = ( 0.8197088 -0.4904118 -1.0777023), wk = 0.0025974 k( 101) = ( 0.8148647 -0.4811243 -1.0602584), wk = 0.0025974 k( 102) = ( 0.8100206 -0.4718369 -1.0428145), wk = 0.0025974 k( 103) = ( 0.8051765 -0.4625495 -1.0253707), wk = 0.0025974 k( 104) = ( 0.8003325 -0.4532621 -1.0079268), wk = 0.0025974 k( 105) = ( 0.7954884 -0.4439746 -0.9904828), wk = 0.0025974 k( 106) = ( 0.7906443 -0.4346872 -0.9730390), wk = 0.0025974 k( 107) = ( 0.7858003 -0.4253997 -0.9555951), wk = 0.0025974 k( 108) = ( 0.7809562 -0.4161123 -0.9381512), wk = 0.0025974 k( 109) = ( 0.7761121 -0.4068249 -0.9207073), wk = 0.0025974 k( 110) = ( 0.7712680 -0.3975374 -0.9032634), wk = 0.0025974 k( 111) = ( 0.7664240 -0.3882500 -0.8858195), wk = 0.0025974 k( 112) = ( 0.7615799 -0.3789626 -0.8683756), wk = 0.0025974 k( 113) = ( 0.7567358 -0.3696752 -0.8509317), wk = 0.0025974 k( 114) = ( 0.7518917 -0.3603877 -0.8334878), wk = 0.0025974 k( 115) = ( 0.7470477 -0.3511003 -0.8160439), wk = 0.0025974 k( 116) = ( 0.7422036 -0.3418128 -0.7986000), wk = 0.0025974 k( 117) = ( 0.7373595 -0.3325254 -0.7811561), wk = 0.0025974 k( 118) = ( 0.7325155 -0.3232380 -0.7637122), wk = 0.0025974 k( 119) = ( 0.7276714 -0.3139505 -0.7462683), wk = 0.0025974 k( 120) = ( 0.7228273 -0.3046631 -0.7288244), wk = 0.0025974 k( 121) = ( 0.7179832 -0.2953757 -0.7113805), wk = 0.0025974 k( 122) = ( 0.7131392 -0.2860883 -0.6939366), wk = 0.0025974 k( 123) = ( 0.7082951 -0.2768008 -0.6764927), wk = 0.0025974 k( 124) = ( 0.7034510 -0.2675134 -0.6590488), wk = 0.0025974 k( 125) = ( 0.6986070 -0.2582259 -0.6416049), wk = 0.0025974 k( 126) = ( 0.6937629 -0.2489385 -0.6241611), wk = 0.0025974 k( 127) = ( 0.6889188 -0.2396511 -0.6067172), wk = 0.0025974 k( 128) = ( 0.6840747 -0.2303636 -0.5892733), wk = 0.0025974 k( 129) = ( 0.6792307 -0.2210762 -0.5718294), wk = 0.0025974 k( 130) = ( 0.6743866 -0.2117888 -0.5543855), wk = 0.0025974 k( 131) = ( 0.6695425 -0.2025014 -0.5369416), wk = 0.0025974 k( 132) = ( 0.6646985 -0.1932139 -0.5194977), wk = 0.0025974 k( 133) = ( 0.6598544 -0.1839265 -0.5020538), wk = 0.0025974 k( 134) = ( 0.6550103 -0.1746390 -0.4846099), wk = 0.0025974 k( 135) = ( 0.6501662 -0.1653516 -0.4671660), wk = 0.0025974 k( 136) = ( 0.6453222 -0.1560642 -0.4497221), wk = 0.0025974 k( 137) = ( 0.6404781 -0.1467767 -0.4322782), wk = 0.0025974 k( 138) = ( 0.6356340 -0.1374893 -0.4148343), wk = 0.0025974 k( 139) = ( 0.6307900 -0.1282019 -0.3973904), wk = 0.0025974 k( 140) = ( 0.6259459 -0.1189145 -0.3799465), wk = 0.0025974 k( 141) = ( 0.6211018 -0.1096270 -0.3625026), wk = 0.0025974 k( 142) = ( 0.6162577 -0.1003396 -0.3450587), wk = 0.0025974 k( 143) = ( 0.6114137 -0.0910521 -0.3276148), wk = 0.0025974 k( 144) = ( 0.6065696 -0.0817647 -0.3101709), wk = 0.0025974 k( 145) = ( 0.6017255 -0.0724773 -0.2927271), wk = 0.0025974 k( 146) = ( 0.5968814 -0.0631898 -0.2752831), wk = 0.0025974 k( 147) = ( 0.5920374 -0.0539024 -0.2578392), wk = 0.0025974 k( 148) = ( 0.5871933 -0.0446150 -0.2403954), wk = 0.0025974 k( 149) = ( 0.5823492 -0.0353276 -0.2229515), wk = 0.0025974 k( 150) = ( 0.5775052 -0.0260401 -0.2055076), wk = 0.0025974 k( 151) = ( 0.5726611 -0.0167527 -0.1880637), wk = 0.0025974 k( 152) = ( 0.5678170 -0.0074652 -0.1706198), wk = 0.0025974 k( 153) = ( 0.5629729 0.0018222 -0.1531759), wk = 0.0025974 k( 154) = ( 0.5581289 0.0111096 -0.1357320), wk = 0.0025974 k( 155) = ( 0.5532848 0.0203971 -0.1182881), wk = 0.0025974 k( 156) = ( 0.5484407 0.0296845 -0.1008442), wk = 0.0025974 k( 157) = ( 0.5435967 0.0389719 -0.0834003), wk = 0.0025974 k( 158) = ( 0.5387526 0.0482593 -0.0659564), wk = 0.0025974 k( 159) = ( 0.5339085 0.0575468 -0.0485125), wk = 0.0025974 k( 160) = ( 0.5290644 0.0668342 -0.0310686), wk = 0.0025974 k( 161) = ( 0.5242204 0.0761217 -0.0136247), wk = 0.0025974 k( 162) = ( 0.5193763 0.0854091 0.0038192), wk = 0.0025974 k( 163) = ( 0.5145322 0.0946965 0.0212631), wk = 0.0025974 k( 164) = ( 0.5096881 0.1039840 0.0387070), wk = 0.0025974 k( 165) = ( 0.5048441 0.1132714 0.0561509), wk = 0.0025974 k( 166) = ( 0.5000000 0.1225588 0.0735948), wk = 0.0025974 k( 167) = ( 0.5000000 0.1225588 0.0735948), wk = 0.0025974 k( 168) = ( 0.4807692 0.1178450 0.0707642), wk = 0.0025974 k( 169) = ( 0.4615385 0.1131312 0.0679336), wk = 0.0025974 k( 170) = ( 0.4423077 0.1084174 0.0651031), wk = 0.0025974 k( 171) = ( 0.4230769 0.1037036 0.0622725), wk = 0.0025974 k( 172) = ( 0.4038462 0.0989898 0.0594419), wk = 0.0025974 k( 173) = ( 0.3846154 0.0942760 0.0566114), wk = 0.0025974 k( 174) = ( 0.3653846 0.0895622 0.0537808), wk = 0.0025974 k( 175) = ( 0.3461538 0.0848484 0.0509502), wk = 0.0025974 k( 176) = ( 0.3269231 0.0801346 0.0481196), wk = 0.0025974 k( 177) = ( 0.3076923 0.0754208 0.0452891), wk = 0.0025974 k( 178) = ( 0.2884615 0.0707070 0.0424585), wk = 0.0025974 k( 179) = ( 0.2692308 0.0659932 0.0396279), wk = 0.0025974 k( 180) = ( 0.2500000 0.0612794 0.0367974), wk = 0.0025974 k( 181) = ( 0.2307692 0.0565656 0.0339668), wk = 0.0025974 k( 182) = ( 0.2115385 0.0518518 0.0311362), wk = 0.0025974 k( 183) = ( 0.1923077 0.0471380 0.0283057), wk = 0.0025974 k( 184) = ( 0.1730769 0.0424242 0.0254751), wk = 0.0025974 k( 185) = ( 0.1538461 0.0377104 0.0226445), wk = 0.0025974 k( 186) = ( 0.1346154 0.0329966 0.0198140), wk = 0.0025974 k( 187) = ( 0.1153846 0.0282828 0.0169834), wk = 0.0025974 k( 188) = ( 0.0961538 0.0235690 0.0141528), wk = 0.0025974 k( 189) = ( 0.0769231 0.0188552 0.0113223), wk = 0.0025974 k( 190) = ( 0.0576923 0.0141414 0.0084917), wk = 0.0025974 k( 191) = ( 0.0384615 0.0094276 0.0056611), wk = 0.0025974 k( 192) = ( 0.0192308 0.0047138 0.0028306), wk = 0.0025974 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 195) = ( 0.0048592 -0.0093165 -0.0174984), wk = 0.0025974 k( 196) = ( 0.0097185 -0.0186330 -0.0349969), wk = 0.0025974 k( 197) = ( 0.0145777 -0.0279494 -0.0524954), wk = 0.0025974 k( 198) = ( 0.0194369 -0.0372659 -0.0699938), wk = 0.0025974 k( 199) = ( 0.0242961 -0.0465824 -0.0874923), wk = 0.0025974 k( 200) = ( 0.0291553 -0.0558989 -0.1049907), wk = 0.0025974 k( 201) = ( 0.0340146 -0.0652154 -0.1224892), wk = 0.0025974 k( 202) = ( 0.0388738 -0.0745318 -0.1399876), wk = 0.0025974 k( 203) = ( 0.0437330 -0.0838483 -0.1574861), wk = 0.0025974 k( 204) = ( 0.0485922 -0.0931648 -0.1749845), wk = 0.0025974 k( 205) = ( 0.0534514 -0.1024813 -0.1924830), wk = 0.0025974 k( 206) = ( 0.0583107 -0.1117978 -0.2099815), wk = 0.0025974 k( 207) = ( 0.0631699 -0.1211143 -0.2274799), wk = 0.0025974 k( 208) = ( 0.0680291 -0.1304307 -0.2449784), wk = 0.0025974 k( 209) = ( 0.0728884 -0.1397472 -0.2624768), wk = 0.0025974 k( 210) = ( 0.0777476 -0.1490637 -0.2799753), wk = 0.0025974 k( 211) = ( 0.0826068 -0.1583802 -0.2974737), wk = 0.0025974 k( 212) = ( 0.0874660 -0.1676967 -0.3149722), wk = 0.0025974 k( 213) = ( 0.0923252 -0.1770132 -0.3324706), wk = 0.0025974 k( 214) = ( 0.0971845 -0.1863296 -0.3499691), wk = 0.0025974 k( 215) = ( 0.1020437 -0.1956461 -0.3674676), wk = 0.0025974 k( 216) = ( 0.1069029 -0.2049626 -0.3849660), wk = 0.0025974 k( 217) = ( 0.1117621 -0.2142791 -0.4024645), wk = 0.0025974 k( 218) = ( 0.1166213 -0.2235956 -0.4199629), wk = 0.0025974 k( 219) = ( 0.1214806 -0.2329121 -0.4374614), wk = 0.0025974 k( 220) = ( 0.1263398 -0.2422285 -0.4549598), wk = 0.0025974 k( 221) = ( 0.1311990 -0.2515450 -0.4724583), wk = 0.0025974 k( 222) = ( 0.1360582 -0.2608615 -0.4899567), wk = 0.0025974 k( 223) = ( 0.1409175 -0.2701780 -0.5074552), wk = 0.0025974 k( 224) = ( 0.1457767 -0.2794944 -0.5249536), wk = 0.0025974 k( 225) = ( 0.1506359 -0.2888109 -0.5424521), wk = 0.0025974 k( 226) = ( 0.1554951 -0.2981274 -0.5599506), wk = 0.0025974 k( 227) = ( 0.1603544 -0.3074439 -0.5774490), wk = 0.0025974 k( 228) = ( 0.1652136 -0.3167604 -0.5949475), wk = 0.0025974 k( 229) = ( 0.1700728 -0.3260769 -0.6124459), wk = 0.0025974 k( 230) = ( 0.1749320 -0.3353933 -0.6299444), wk = 0.0025974 k( 231) = ( 0.1797913 -0.3447098 -0.6474428), wk = 0.0025974 k( 232) = ( 0.1846505 -0.3540263 -0.6649413), wk = 0.0025974 k( 233) = ( 0.1895097 -0.3633428 -0.6824397), wk = 0.0025974 k( 234) = ( 0.1943689 -0.3726593 -0.6999382), wk = 0.0025974 k( 235) = ( 0.1992281 -0.3819758 -0.7174367), wk = 0.0025974 k( 236) = ( 0.2040874 -0.3912922 -0.7349351), wk = 0.0025974 k( 237) = ( 0.2089466 -0.4006087 -0.7524335), wk = 0.0025974 k( 238) = ( 0.2138058 -0.4099252 -0.7699320), wk = 0.0025974 k( 239) = ( 0.2186650 -0.4192417 -0.7874305), wk = 0.0025974 k( 240) = ( 0.2235243 -0.4285582 -0.8049289), wk = 0.0025974 k( 241) = ( 0.2283835 -0.4378747 -0.8224274), wk = 0.0025974 k( 242) = ( 0.2332427 -0.4471911 -0.8399258), wk = 0.0025974 k( 243) = ( 0.2381019 -0.4565076 -0.8574243), wk = 0.0025974 k( 244) = ( 0.2429612 -0.4658241 -0.8749228), wk = 0.0025974 k( 245) = ( 0.2478204 -0.4751406 -0.8924212), wk = 0.0025974 k( 246) = ( 0.2526796 -0.4844571 -0.9099197), wk = 0.0025974 k( 247) = ( 0.2575388 -0.4937735 -0.9274181), wk = 0.0025974 k( 248) = ( 0.2623980 -0.5030900 -0.9449166), wk = 0.0025974 k( 249) = ( 0.2672573 -0.5124065 -0.9624150), wk = 0.0025974 k( 250) = ( 0.2721165 -0.5217230 -0.9799135), wk = 0.0025974 k( 251) = ( 0.2769757 -0.5310395 -0.9974119), wk = 0.0025974 k( 252) = ( 0.2818349 -0.5403559 -1.0149104), wk = 0.0025974 k( 253) = ( 0.2866942 -0.5496724 -1.0324088), wk = 0.0025974 k( 254) = ( 0.2915534 -0.5589889 -1.0499073), wk = 0.0025974 k( 255) = ( 0.2964126 -0.5683054 -1.0674058), wk = 0.0025974 k( 256) = ( 0.3012718 -0.5776219 -1.0849042), wk = 0.0025974 k( 257) = ( 0.3061311 -0.5869384 -1.1024027), wk = 0.0025974 k( 258) = ( 0.3109903 -0.5962548 -1.1199011), wk = 0.0025974 k( 259) = ( 0.3158495 -0.6055713 -1.1373996), wk = 0.0025974 k( 260) = ( 0.3207087 -0.6148878 -1.1548980), wk = 0.0025974 k( 261) = ( 0.3255679 -0.6242043 -1.1723965), wk = 0.0025974 k( 262) = ( 0.3304272 -0.6335208 -1.1898949), wk = 0.0025974 k( 263) = ( 0.3352864 -0.6428372 -1.2073934), wk = 0.0025974 k( 264) = ( 0.3401456 -0.6521537 -1.2248919), wk = 0.0025974 k( 265) = ( 0.6598544 -0.5295949 -1.1512971), wk = 0.0025974 k( 266) = ( 0.6550103 -0.5098327 -1.1512971), wk = 0.0025974 k( 267) = ( 0.6501662 -0.4900704 -1.1512971), wk = 0.0025974 k( 268) = ( 0.6453222 -0.4703082 -1.1512971), wk = 0.0025974 k( 269) = ( 0.6404781 -0.4505460 -1.1512971), wk = 0.0025974 k( 270) = ( 0.6356340 -0.4307837 -1.1512971), wk = 0.0025974 k( 271) = ( 0.6307900 -0.4110215 -1.1512971), wk = 0.0025974 k( 272) = ( 0.6259459 -0.3912593 -1.1512971), wk = 0.0025974 k( 273) = ( 0.6211018 -0.3714970 -1.1512971), wk = 0.0025974 k( 274) = ( 0.6162577 -0.3517348 -1.1512971), wk = 0.0025974 k( 275) = ( 0.6114137 -0.3319726 -1.1512971), wk = 0.0025974 k( 276) = ( 0.6065696 -0.3122103 -1.1512971), wk = 0.0025974 k( 277) = ( 0.6017255 -0.2924481 -1.1512971), wk = 0.0025974 k( 278) = ( 0.5968814 -0.2726858 -1.1512971), wk = 0.0025974 k( 279) = ( 0.5920374 -0.2529236 -1.1512971), wk = 0.0025974 k( 280) = ( 0.5871933 -0.2331614 -1.1512971), wk = 0.0025974 k( 281) = ( 0.5823492 -0.2133992 -1.1512971), wk = 0.0025974 k( 282) = ( 0.5775052 -0.1936369 -1.1512971), wk = 0.0025974 k( 283) = ( 0.5726611 -0.1738747 -1.1512971), wk = 0.0025974 k( 284) = ( 0.5678170 -0.1541125 -1.1512971), wk = 0.0025974 k( 285) = ( 0.5629729 -0.1343502 -1.1512971), wk = 0.0025974 k( 286) = ( 0.5581289 -0.1145880 -1.1512971), wk = 0.0025974 k( 287) = ( 0.5532848 -0.0948257 -1.1512971), wk = 0.0025974 k( 288) = ( 0.5484407 -0.0750635 -1.1512971), wk = 0.0025974 k( 289) = ( 0.5435967 -0.0553013 -1.1512971), wk = 0.0025974 k( 290) = ( 0.5387526 -0.0355391 -1.1512971), wk = 0.0025974 k( 291) = ( 0.5339085 -0.0157768 -1.1512971), wk = 0.0025974 k( 292) = ( 0.5290644 0.0039854 -1.1512971), wk = 0.0025974 k( 293) = ( 0.5242204 0.0237477 -1.1512971), wk = 0.0025974 k( 294) = ( 0.5193763 0.0435099 -1.1512971), wk = 0.0025974 k( 295) = ( 0.5145322 0.0632721 -1.1512971), wk = 0.0025974 k( 296) = ( 0.5096881 0.0830344 -1.1512971), wk = 0.0025974 k( 297) = ( 0.5048441 0.1027966 -1.1512971), wk = 0.0025974 k( 298) = ( 0.5000000 0.1225588 -1.1512971), wk = 0.0025974 k( 299) = ( 0.5000000 0.1225588 -1.1512971), wk = 0.0025974 k( 300) = ( 0.5177616 0.1269125 -1.1431199), wk = 0.0025974 k( 301) = ( 0.5355232 0.1312662 -1.1349427), wk = 0.0025974 k( 302) = ( 0.5532848 0.1356199 -1.1267655), wk = 0.0025974 k( 303) = ( 0.5710464 0.1399735 -1.1185883), wk = 0.0025974 k( 304) = ( 0.5888080 0.1443272 -1.1104111), wk = 0.0025974 k( 305) = ( 0.6065696 0.1486809 -1.1022339), wk = 0.0025974 k( 306) = ( 0.6243312 0.1530346 -1.0940567), wk = 0.0025974 k( 307) = ( 0.6420928 0.1573883 -1.0858795), wk = 0.0025974 k( 308) = ( 0.6598544 0.1617419 -1.0777023), wk = 0.0025974 k( 309) = ( 0.6598544 0.1617419 -1.0777023), wk = 0.0025974 k( 310) = ( 0.6570499 0.1610545 -1.0575041), wk = 0.0025974 k( 311) = ( 0.6542455 0.1603671 -1.0373059), wk = 0.0025974 k( 312) = ( 0.6514410 0.1596797 -1.0171077), wk = 0.0025974 k( 313) = ( 0.6486365 0.1589923 -0.9969095), wk = 0.0025974 k( 314) = ( 0.6458321 0.1583048 -0.9767114), wk = 0.0025974 k( 315) = ( 0.6430276 0.1576174 -0.9565132), wk = 0.0025974 k( 316) = ( 0.6402231 0.1569300 -0.9363150), wk = 0.0025974 k( 317) = ( 0.6374187 0.1562426 -0.9161168), wk = 0.0025974 k( 318) = ( 0.6346142 0.1555551 -0.8959186), wk = 0.0025974 k( 319) = ( 0.6318097 0.1548677 -0.8757204), wk = 0.0025974 k( 320) = ( 0.6290053 0.1541803 -0.8555222), wk = 0.0025974 k( 321) = ( 0.6262008 0.1534929 -0.8353240), wk = 0.0025974 k( 322) = ( 0.6233964 0.1528054 -0.8151258), wk = 0.0025974 k( 323) = ( 0.6205919 0.1521180 -0.7949276), wk = 0.0025974 k( 324) = ( 0.6177874 0.1514306 -0.7747294), wk = 0.0025974 k( 325) = ( 0.6149830 0.1507432 -0.7545312), wk = 0.0025974 k( 326) = ( 0.6121785 0.1500558 -0.7343330), wk = 0.0025974 k( 327) = ( 0.6093741 0.1493683 -0.7141348), wk = 0.0025974 k( 328) = ( 0.6065696 0.1486809 -0.6939366), wk = 0.0025974 k( 329) = ( 0.6037651 0.1479935 -0.6737384), wk = 0.0025974 k( 330) = ( 0.6009607 0.1473061 -0.6535403), wk = 0.0025974 k( 331) = ( 0.5981562 0.1466186 -0.6333421), wk = 0.0025974 k( 332) = ( 0.5953517 0.1459312 -0.6131439), wk = 0.0025974 k( 333) = ( 0.5925473 0.1452438 -0.5929457), wk = 0.0025974 k( 334) = ( 0.5897428 0.1445564 -0.5727475), wk = 0.0025974 k( 335) = ( 0.5869384 0.1438689 -0.5525493), wk = 0.0025974 k( 336) = ( 0.5841339 0.1431815 -0.5323511), wk = 0.0025974 k( 337) = ( 0.5813294 0.1424941 -0.5121529), wk = 0.0025974 k( 338) = ( 0.5785250 0.1418067 -0.4919547), wk = 0.0025974 k( 339) = ( 0.5757205 0.1411193 -0.4717565), wk = 0.0025974 k( 340) = ( 0.5729160 0.1404318 -0.4515583), wk = 0.0025974 k( 341) = ( 0.5701116 0.1397444 -0.4313601), wk = 0.0025974 k( 342) = ( 0.5673071 0.1390570 -0.4111619), wk = 0.0025974 k( 343) = ( 0.5645026 0.1383696 -0.3909637), wk = 0.0025974 k( 344) = ( 0.5616982 0.1376821 -0.3707655), wk = 0.0025974 k( 345) = ( 0.5588937 0.1369947 -0.3505673), wk = 0.0025974 k( 346) = ( 0.5560893 0.1363073 -0.3303691), wk = 0.0025974 k( 347) = ( 0.5532848 0.1356199 -0.3101709), wk = 0.0025974 k( 348) = ( 0.5504803 0.1349324 -0.2899727), wk = 0.0025974 k( 349) = ( 0.5476759 0.1342450 -0.2697746), wk = 0.0025974 k( 350) = ( 0.5448714 0.1335576 -0.2495764), wk = 0.0025974 k( 351) = ( 0.5420669 0.1328702 -0.2293782), wk = 0.0025974 k( 352) = ( 0.5392625 0.1321827 -0.2091800), wk = 0.0025974 k( 353) = ( 0.5364580 0.1314953 -0.1889818), wk = 0.0025974 k( 354) = ( 0.5336536 0.1308079 -0.1687836), wk = 0.0025974 k( 355) = ( 0.5308491 0.1301205 -0.1485854), wk = 0.0025974 k( 356) = ( 0.5280446 0.1294331 -0.1283872), wk = 0.0025974 k( 357) = ( 0.5252402 0.1287456 -0.1081890), wk = 0.0025974 k( 358) = ( 0.5224357 0.1280582 -0.0879908), wk = 0.0025974 k( 359) = ( 0.5196312 0.1273708 -0.0677926), wk = 0.0025974 k( 360) = ( 0.5168268 0.1266834 -0.0475944), wk = 0.0025974 k( 361) = ( 0.5140223 0.1259959 -0.0273962), wk = 0.0025974 k( 362) = ( 0.5112178 0.1253085 -0.0071980), wk = 0.0025974 k( 363) = ( 0.5084134 0.1246211 0.0130002), wk = 0.0025974 k( 364) = ( 0.5056089 0.1239337 0.0331984), wk = 0.0025974 k( 365) = ( 0.5028045 0.1232462 0.0533966), wk = 0.0025974 k( 366) = ( 0.5000000 0.1225588 0.0735948), wk = 0.0025974 k( 367) = ( 0.5000000 -0.9586390 -0.5756485), wk = 0.0025974 k( 368) = ( 0.5177616 -0.9518302 -0.5715599), wk = 0.0025974 k( 369) = ( 0.5355232 -0.9450214 -0.5674714), wk = 0.0025974 k( 370) = ( 0.5532848 -0.9382125 -0.5633827), wk = 0.0025974 k( 371) = ( 0.5710464 -0.9314037 -0.5592941), wk = 0.0025974 k( 372) = ( 0.5888080 -0.9245949 -0.5552056), wk = 0.0025974 k( 373) = ( 0.6065696 -0.9177861 -0.5511170), wk = 0.0025974 k( 374) = ( 0.6243312 -0.9109773 -0.5470284), wk = 0.0025974 k( 375) = ( 0.6420928 -0.9041684 -0.5429398), wk = 0.0025974 k( 376) = ( 0.6598544 -0.8973596 -0.5388512), wk = 0.0025974 k( 377) = ( 0.6776160 -0.8905508 -0.5347626), wk = 0.0025974 k( 378) = ( 0.6953776 -0.8837420 -0.5306740), wk = 0.0025974 k( 379) = ( 0.7131392 -0.8769331 -0.5265854), wk = 0.0025974 k( 380) = ( 0.7309008 -0.8701243 -0.5224968), wk = 0.0025974 k( 381) = ( 0.7486624 -0.8633155 -0.5184082), wk = 0.0025974 k( 382) = ( 0.7664240 -0.8565067 -0.5143196), wk = 0.0025974 k( 383) = ( 0.7841856 -0.8496979 -0.5102310), wk = 0.0025974 k( 384) = ( 0.8019472 -0.8428890 -0.5061424), wk = 0.0025974 k( 385) = ( 0.8197088 -0.8360802 -0.5020538), wk = 0.0025974 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 2) = ( 0.0083333 -0.0000000 -0.0000000), wk = 0.0025974 k( 3) = ( 0.0166667 -0.0000000 0.0000000), wk = 0.0025974 k( 4) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0025974 k( 5) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0025974 k( 6) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0025974 k( 7) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0025974 k( 8) = ( 0.0583333 -0.0000000 -0.0000000), wk = 0.0025974 k( 9) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0025974 k( 10) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0025974 k( 11) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0025974 k( 12) = ( 0.0916667 -0.0000000 0.0000000), wk = 0.0025974 k( 13) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 14) = ( 0.1083333 -0.0000000 -0.0000000), wk = 0.0025974 k( 15) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0025974 k( 16) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0025974 k( 17) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0025974 k( 18) = ( 0.1416667 -0.0000000 -0.0000000), wk = 0.0025974 k( 19) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0025974 k( 20) = ( 0.1583333 -0.0000000 -0.0000000), wk = 0.0025974 k( 21) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0025974 k( 22) = ( 0.1750000 -0.0000000 0.0000000), wk = 0.0025974 k( 23) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0025974 k( 24) = ( 0.1916667 -0.0000000 -0.0000000), wk = 0.0025974 k( 25) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 26) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0025974 k( 27) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0025974 k( 28) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0025974 k( 29) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0025974 k( 30) = ( 0.2416667 -0.0000000 -0.0000000), wk = 0.0025974 k( 31) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025974 k( 32) = ( 0.2583333 -0.0000000 -0.0000000), wk = 0.0025974 k( 33) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0025974 k( 34) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0025974 k( 35) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0025974 k( 36) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0025974 k( 37) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0025974 k( 38) = ( 0.3083333 -0.0000000 -0.0000000), wk = 0.0025974 k( 39) = ( 0.3166667 -0.0000000 0.0000000), wk = 0.0025974 k( 40) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0025974 k( 41) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0025974 k( 42) = ( 0.3416667 -0.0000000 0.0000000), wk = 0.0025974 k( 43) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0025974 k( 44) = ( 0.3583333 -0.0000000 -0.0000000), wk = 0.0025974 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0025974 k( 46) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025974 k( 47) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0025974 k( 48) = ( 0.3916667 -0.0000000 -0.0000000), wk = 0.0025974 k( 49) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 50) = ( 0.4083333 -0.0000000 -0.0000000), wk = 0.0025974 k( 51) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0025974 k( 52) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0025974 k( 53) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0025974 k( 54) = ( 0.4416667 -0.0000000 -0.0000000), wk = 0.0025974 k( 55) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0025974 k( 56) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0025974 k( 57) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0025974 k( 58) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0025974 k( 59) = ( 0.4833333 -0.0000000 0.0000000), wk = 0.0025974 k( 60) = ( 0.4916667 0.0000000 0.0000000), wk = 0.0025974 k( 61) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 62) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 63) = ( 0.5000000 0.0048727 -0.0048727), wk = 0.0025974 k( 64) = ( 0.5000000 0.0097455 -0.0097455), wk = 0.0025974 k( 65) = ( 0.5000000 0.0146182 -0.0146182), wk = 0.0025974 k( 66) = ( 0.5000000 0.0194909 -0.0194909), wk = 0.0025974 k( 67) = ( 0.5000000 0.0243637 -0.0243637), wk = 0.0025974 k( 68) = ( 0.5000000 0.0292364 -0.0292364), wk = 0.0025974 k( 69) = ( 0.5000000 0.0341091 -0.0341091), wk = 0.0025974 k( 70) = ( 0.5000000 0.0389819 -0.0389819), wk = 0.0025974 k( 71) = ( 0.5000000 0.0438546 -0.0438546), wk = 0.0025974 k( 72) = ( 0.5000000 0.0487274 -0.0487274), wk = 0.0025974 k( 73) = ( 0.5000000 0.0536001 -0.0536001), wk = 0.0025974 k( 74) = ( 0.5000000 0.0584728 -0.0584728), wk = 0.0025974 k( 75) = ( 0.5000000 0.0633456 -0.0633456), wk = 0.0025974 k( 76) = ( 0.5000000 0.0682183 -0.0682183), wk = 0.0025974 k( 77) = ( 0.5000000 0.0730910 -0.0730910), wk = 0.0025974 k( 78) = ( 0.5000000 0.0779638 -0.0779638), wk = 0.0025974 k( 79) = ( 0.5000000 0.0828365 -0.0828365), wk = 0.0025974 k( 80) = ( 0.5000000 0.0877092 -0.0877093), wk = 0.0025974 k( 81) = ( 0.5000000 0.0925820 -0.0925820), wk = 0.0025974 k( 82) = ( 0.5000000 0.0974547 -0.0974547), wk = 0.0025974 k( 83) = ( 0.5000000 0.1023275 -0.1023275), wk = 0.0025974 k( 84) = ( 0.5000000 0.1072002 -0.1072002), wk = 0.0025974 k( 85) = ( 0.5000000 0.1120729 -0.1120729), wk = 0.0025974 k( 86) = ( 0.5000000 0.1169457 -0.1169457), wk = 0.0025974 k( 87) = ( 0.5000000 0.1218184 -0.1218184), wk = 0.0025974 k( 88) = ( 0.5000000 0.1266911 -0.1266911), wk = 0.0025974 k( 89) = ( 0.5000000 0.1315639 -0.1315639), wk = 0.0025974 k( 90) = ( 0.5000000 0.1364366 -0.1364366), wk = 0.0025974 k( 91) = ( 0.5000000 0.1413093 -0.1413094), wk = 0.0025974 k( 92) = ( 0.5000000 0.1461821 -0.1461821), wk = 0.0025974 k( 93) = ( 0.5000000 0.1510548 -0.1510548), wk = 0.0025974 k( 94) = ( 0.5000000 0.1559276 -0.1559275), wk = 0.0025974 k( 95) = ( 0.5000000 0.1608003 -0.1608003), wk = 0.0025974 k( 96) = ( 0.5000000 0.1656730 -0.1656730), wk = 0.0025974 k( 97) = ( 0.5000000 0.1705458 -0.1705458), wk = 0.0025974 k( 98) = ( 0.5000000 0.1754185 -0.1754185), wk = 0.0025974 k( 99) = ( 0.5000000 0.1802912 -0.1802912), wk = 0.0025974 k( 100) = ( 0.8197088 0.5000000 0.1802912), wk = 0.0025974 k( 101) = ( 0.8148647 0.5000000 0.1851353), wk = 0.0025974 k( 102) = ( 0.8100206 0.5000000 0.1899794), wk = 0.0025974 k( 103) = ( 0.8051765 0.5000000 0.1948235), wk = 0.0025974 k( 104) = ( 0.8003325 0.5000000 0.1996675), wk = 0.0025974 k( 105) = ( 0.7954884 0.5000000 0.2045116), wk = 0.0025974 k( 106) = ( 0.7906443 0.5000000 0.2093557), wk = 0.0025974 k( 107) = ( 0.7858003 0.5000000 0.2141997), wk = 0.0025974 k( 108) = ( 0.7809562 0.5000000 0.2190438), wk = 0.0025974 k( 109) = ( 0.7761121 0.5000000 0.2238879), wk = 0.0025974 k( 110) = ( 0.7712680 0.5000000 0.2287320), wk = 0.0025974 k( 111) = ( 0.7664240 0.5000000 0.2335760), wk = 0.0025974 k( 112) = ( 0.7615799 0.5000000 0.2384201), wk = 0.0025974 k( 113) = ( 0.7567358 0.5000000 0.2432642), wk = 0.0025974 k( 114) = ( 0.7518917 0.5000000 0.2481083), wk = 0.0025974 k( 115) = ( 0.7470477 0.5000000 0.2529523), wk = 0.0025974 k( 116) = ( 0.7422036 0.5000000 0.2577964), wk = 0.0025974 k( 117) = ( 0.7373595 0.5000000 0.2626405), wk = 0.0025974 k( 118) = ( 0.7325155 0.5000000 0.2674845), wk = 0.0025974 k( 119) = ( 0.7276714 0.5000000 0.2723286), wk = 0.0025974 k( 120) = ( 0.7228273 0.5000000 0.2771727), wk = 0.0025974 k( 121) = ( 0.7179832 0.5000000 0.2820167), wk = 0.0025974 k( 122) = ( 0.7131392 0.5000000 0.2868608), wk = 0.0025974 k( 123) = ( 0.7082951 0.5000000 0.2917049), wk = 0.0025974 k( 124) = ( 0.7034510 0.5000000 0.2965490), wk = 0.0025974 k( 125) = ( 0.6986070 0.5000000 0.3013930), wk = 0.0025974 k( 126) = ( 0.6937629 0.5000000 0.3062371), wk = 0.0025974 k( 127) = ( 0.6889188 0.5000000 0.3110812), wk = 0.0025974 k( 128) = ( 0.6840747 0.5000000 0.3159253), wk = 0.0025974 k( 129) = ( 0.6792307 0.5000000 0.3207693), wk = 0.0025974 k( 130) = ( 0.6743866 0.5000000 0.3256134), wk = 0.0025974 k( 131) = ( 0.6695425 0.5000000 0.3304575), wk = 0.0025974 k( 132) = ( 0.6646985 0.5000000 0.3353016), wk = 0.0025974 k( 133) = ( 0.6598544 0.5000000 0.3401456), wk = 0.0025974 k( 134) = ( 0.6550103 0.5000000 0.3449897), wk = 0.0025974 k( 135) = ( 0.6501662 0.5000000 0.3498338), wk = 0.0025974 k( 136) = ( 0.6453222 0.5000000 0.3546778), wk = 0.0025974 k( 137) = ( 0.6404781 0.5000000 0.3595219), wk = 0.0025974 k( 138) = ( 0.6356340 0.5000000 0.3643660), wk = 0.0025974 k( 139) = ( 0.6307900 0.5000000 0.3692101), wk = 0.0025974 k( 140) = ( 0.6259459 0.5000000 0.3740541), wk = 0.0025974 k( 141) = ( 0.6211018 0.5000000 0.3788982), wk = 0.0025974 k( 142) = ( 0.6162577 0.5000000 0.3837423), wk = 0.0025974 k( 143) = ( 0.6114137 0.5000000 0.3885863), wk = 0.0025974 k( 144) = ( 0.6065696 0.5000000 0.3934304), wk = 0.0025974 k( 145) = ( 0.6017255 0.5000000 0.3982745), wk = 0.0025974 k( 146) = ( 0.5968814 0.5000000 0.4031186), wk = 0.0025974 k( 147) = ( 0.5920374 0.5000000 0.4079626), wk = 0.0025974 k( 148) = ( 0.5871933 0.5000000 0.4128067), wk = 0.0025974 k( 149) = ( 0.5823492 0.5000000 0.4176508), wk = 0.0025974 k( 150) = ( 0.5775052 0.5000000 0.4224948), wk = 0.0025974 k( 151) = ( 0.5726611 0.5000000 0.4273389), wk = 0.0025974 k( 152) = ( 0.5678170 0.5000000 0.4321830), wk = 0.0025974 k( 153) = ( 0.5629729 0.5000000 0.4370271), wk = 0.0025974 k( 154) = ( 0.5581289 0.5000000 0.4418711), wk = 0.0025974 k( 155) = ( 0.5532848 0.5000000 0.4467152), wk = 0.0025974 k( 156) = ( 0.5484407 0.5000000 0.4515593), wk = 0.0025974 k( 157) = ( 0.5435967 0.5000000 0.4564033), wk = 0.0025974 k( 158) = ( 0.5387526 0.5000000 0.4612474), wk = 0.0025974 k( 159) = ( 0.5339085 0.5000000 0.4660915), wk = 0.0025974 k( 160) = ( 0.5290644 0.5000000 0.4709356), wk = 0.0025974 k( 161) = ( 0.5242204 0.5000000 0.4757796), wk = 0.0025974 k( 162) = ( 0.5193763 0.5000000 0.4806237), wk = 0.0025974 k( 163) = ( 0.5145322 0.5000000 0.4854678), wk = 0.0025974 k( 164) = ( 0.5096881 0.5000000 0.4903119), wk = 0.0025974 k( 165) = ( 0.5048441 0.5000000 0.4951559), wk = 0.0025974 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 168) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0025974 k( 169) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0025974 k( 170) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0025974 k( 171) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0025974 k( 172) = ( 0.4038462 0.4038462 0.4038461), wk = 0.0025974 k( 173) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0025974 k( 174) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0025974 k( 175) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0025974 k( 176) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0025974 k( 177) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0025974 k( 178) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0025974 k( 179) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0025974 k( 180) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025974 k( 181) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0025974 k( 182) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0025974 k( 183) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0025974 k( 184) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0025974 k( 185) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0025974 k( 186) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0025974 k( 187) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0025974 k( 188) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0025974 k( 189) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0025974 k( 190) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0025974 k( 191) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0025974 k( 192) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0025974 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025974 k( 195) = ( 0.0048592 0.0000000 -0.0048592), wk = 0.0025974 k( 196) = ( 0.0097185 -0.0000000 -0.0097185), wk = 0.0025974 k( 197) = ( 0.0145777 0.0000000 -0.0145777), wk = 0.0025974 k( 198) = ( 0.0194369 -0.0000000 -0.0194369), wk = 0.0025974 k( 199) = ( 0.0242961 -0.0000000 -0.0242961), wk = 0.0025974 k( 200) = ( 0.0291553 0.0000000 -0.0291553), wk = 0.0025974 k( 201) = ( 0.0340146 -0.0000000 -0.0340146), wk = 0.0025974 k( 202) = ( 0.0388738 -0.0000000 -0.0388738), wk = 0.0025974 k( 203) = ( 0.0437330 -0.0000000 -0.0437330), wk = 0.0025974 k( 204) = ( 0.0485922 -0.0000000 -0.0485922), wk = 0.0025974 k( 205) = ( 0.0534514 -0.0000000 -0.0534514), wk = 0.0025974 k( 206) = ( 0.0583107 0.0000000 -0.0583107), wk = 0.0025974 k( 207) = ( 0.0631699 0.0000000 -0.0631699), wk = 0.0025974 k( 208) = ( 0.0680291 -0.0000000 -0.0680291), wk = 0.0025974 k( 209) = ( 0.0728884 -0.0000000 -0.0728884), wk = 0.0025974 k( 210) = ( 0.0777476 -0.0000000 -0.0777476), wk = 0.0025974 k( 211) = ( 0.0826068 -0.0000000 -0.0826068), wk = 0.0025974 k( 212) = ( 0.0874660 -0.0000000 -0.0874660), wk = 0.0025974 k( 213) = ( 0.0923252 -0.0000000 -0.0923252), wk = 0.0025974 k( 214) = ( 0.0971845 -0.0000000 -0.0971845), wk = 0.0025974 k( 215) = ( 0.1020437 0.0000000 -0.1020437), wk = 0.0025974 k( 216) = ( 0.1069029 -0.0000000 -0.1069029), wk = 0.0025974 k( 217) = ( 0.1117621 -0.0000000 -0.1117621), wk = 0.0025974 k( 218) = ( 0.1166213 -0.0000000 -0.1166213), wk = 0.0025974 k( 219) = ( 0.1214806 -0.0000000 -0.1214806), wk = 0.0025974 k( 220) = ( 0.1263398 0.0000000 -0.1263398), wk = 0.0025974 k( 221) = ( 0.1311990 -0.0000000 -0.1311990), wk = 0.0025974 k( 222) = ( 0.1360582 -0.0000000 -0.1360582), wk = 0.0025974 k( 223) = ( 0.1409175 -0.0000000 -0.1409175), wk = 0.0025974 k( 224) = ( 0.1457767 -0.0000000 -0.1457767), wk = 0.0025974 k( 225) = ( 0.1506359 0.0000000 -0.1506359), wk = 0.0025974 k( 226) = ( 0.1554951 -0.0000000 -0.1554951), wk = 0.0025974 k( 227) = ( 0.1603544 -0.0000000 -0.1603544), wk = 0.0025974 k( 228) = ( 0.1652136 -0.0000000 -0.1652136), wk = 0.0025974 k( 229) = ( 0.1700728 -0.0000000 -0.1700728), wk = 0.0025974 k( 230) = ( 0.1749320 -0.0000000 -0.1749320), wk = 0.0025974 k( 231) = ( 0.1797913 -0.0000000 -0.1797913), wk = 0.0025974 k( 232) = ( 0.1846505 -0.0000000 -0.1846505), wk = 0.0025974 k( 233) = ( 0.1895097 -0.0000000 -0.1895097), wk = 0.0025974 k( 234) = ( 0.1943689 -0.0000000 -0.1943689), wk = 0.0025974 k( 235) = ( 0.1992281 -0.0000000 -0.1992281), wk = 0.0025974 k( 236) = ( 0.2040874 -0.0000000 -0.2040874), wk = 0.0025974 k( 237) = ( 0.2089466 -0.0000000 -0.2089466), wk = 0.0025974 k( 238) = ( 0.2138058 -0.0000000 -0.2138058), wk = 0.0025974 k( 239) = ( 0.2186650 -0.0000000 -0.2186650), wk = 0.0025974 k( 240) = ( 0.2235243 -0.0000000 -0.2235243), wk = 0.0025974 k( 241) = ( 0.2283835 -0.0000000 -0.2283835), wk = 0.0025974 k( 242) = ( 0.2332427 -0.0000000 -0.2332427), wk = 0.0025974 k( 243) = ( 0.2381019 -0.0000000 -0.2381019), wk = 0.0025974 k( 244) = ( 0.2429612 -0.0000000 -0.2429612), wk = 0.0025974 k( 245) = ( 0.2478204 -0.0000000 -0.2478204), wk = 0.0025974 k( 246) = ( 0.2526796 0.0000000 -0.2526796), wk = 0.0025974 k( 247) = ( 0.2575388 -0.0000000 -0.2575388), wk = 0.0025974 k( 248) = ( 0.2623980 -0.0000000 -0.2623980), wk = 0.0025974 k( 249) = ( 0.2672573 -0.0000000 -0.2672573), wk = 0.0025974 k( 250) = ( 0.2721165 0.0000000 -0.2721165), wk = 0.0025974 k( 251) = ( 0.2769757 -0.0000000 -0.2769757), wk = 0.0025974 k( 252) = ( 0.2818349 -0.0000000 -0.2818349), wk = 0.0025974 k( 253) = ( 0.2866942 -0.0000000 -0.2866942), wk = 0.0025974 k( 254) = ( 0.2915534 -0.0000000 -0.2915534), wk = 0.0025974 k( 255) = ( 0.2964126 -0.0000000 -0.2964126), wk = 0.0025974 k( 256) = ( 0.3012718 -0.0000000 -0.3012718), wk = 0.0025974 k( 257) = ( 0.3061311 -0.0000000 -0.3061311), wk = 0.0025974 k( 258) = ( 0.3109903 -0.0000000 -0.3109903), wk = 0.0025974 k( 259) = ( 0.3158495 -0.0000000 -0.3158495), wk = 0.0025974 k( 260) = ( 0.3207087 0.0000000 -0.3207087), wk = 0.0025974 k( 261) = ( 0.3255679 -0.0000000 -0.3255679), wk = 0.0025974 k( 262) = ( 0.3304272 -0.0000000 -0.3304272), wk = 0.0025974 k( 263) = ( 0.3352864 -0.0000000 -0.3352864), wk = 0.0025974 k( 264) = ( 0.3401456 -0.0000000 -0.3401456), wk = 0.0025974 k( 265) = ( 0.6598544 0.3401456 0.0000000), wk = 0.0025974 k( 266) = ( 0.6550103 0.3449897 0.0000000), wk = 0.0025974 k( 267) = ( 0.6501662 0.3498338 0.0000000), wk = 0.0025974 k( 268) = ( 0.6453222 0.3546778 -0.0000000), wk = 0.0025974 k( 269) = ( 0.6404781 0.3595219 0.0000000), wk = 0.0025974 k( 270) = ( 0.6356340 0.3643660 0.0000000), wk = 0.0025974 k( 271) = ( 0.6307900 0.3692101 -0.0000000), wk = 0.0025974 k( 272) = ( 0.6259459 0.3740541 -0.0000000), wk = 0.0025974 k( 273) = ( 0.6211018 0.3788982 -0.0000000), wk = 0.0025974 k( 274) = ( 0.6162577 0.3837423 0.0000000), wk = 0.0025974 k( 275) = ( 0.6114137 0.3885863 -0.0000000), wk = 0.0025974 k( 276) = ( 0.6065696 0.3934304 0.0000000), wk = 0.0025974 k( 277) = ( 0.6017255 0.3982745 0.0000000), wk = 0.0025974 k( 278) = ( 0.5968814 0.4031186 0.0000000), wk = 0.0025974 k( 279) = ( 0.5920374 0.4079626 0.0000000), wk = 0.0025974 k( 280) = ( 0.5871933 0.4128067 -0.0000000), wk = 0.0025974 k( 281) = ( 0.5823492 0.4176508 -0.0000000), wk = 0.0025974 k( 282) = ( 0.5775052 0.4224948 0.0000000), wk = 0.0025974 k( 283) = ( 0.5726611 0.4273389 -0.0000000), wk = 0.0025974 k( 284) = ( 0.5678170 0.4321830 0.0000000), wk = 0.0025974 k( 285) = ( 0.5629729 0.4370271 0.0000000), wk = 0.0025974 k( 286) = ( 0.5581289 0.4418711 0.0000000), wk = 0.0025974 k( 287) = ( 0.5532848 0.4467152 0.0000000), wk = 0.0025974 k( 288) = ( 0.5484407 0.4515593 0.0000000), wk = 0.0025974 k( 289) = ( 0.5435967 0.4564034 -0.0000000), wk = 0.0025974 k( 290) = ( 0.5387526 0.4612474 -0.0000000), wk = 0.0025974 k( 291) = ( 0.5339085 0.4660915 0.0000000), wk = 0.0025974 k( 292) = ( 0.5290644 0.4709356 -0.0000000), wk = 0.0025974 k( 293) = ( 0.5242204 0.4757796 -0.0000000), wk = 0.0025974 k( 294) = ( 0.5193763 0.4806237 0.0000000), wk = 0.0025974 k( 295) = ( 0.5145322 0.4854678 0.0000000), wk = 0.0025974 k( 296) = ( 0.5096881 0.4903119 0.0000000), wk = 0.0025974 k( 297) = ( 0.5048441 0.4951559 0.0000000), wk = 0.0025974 k( 298) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025974 k( 299) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025974 k( 300) = ( 0.5177616 0.5177616 0.0200324), wk = 0.0025974 k( 301) = ( 0.5355232 0.5355232 0.0400647), wk = 0.0025974 k( 302) = ( 0.5532848 0.5532848 0.0600971), wk = 0.0025974 k( 303) = ( 0.5710464 0.5710464 0.0801294), wk = 0.0025974 k( 304) = ( 0.5888080 0.5888080 0.1001618), wk = 0.0025974 k( 305) = ( 0.6065696 0.6065696 0.1201942), wk = 0.0025974 k( 306) = ( 0.6243312 0.6243312 0.1402265), wk = 0.0025974 k( 307) = ( 0.6420928 0.6420928 0.1602589), wk = 0.0025974 k( 308) = ( 0.6598544 0.6598544 0.1802912), wk = 0.0025974 k( 309) = ( 0.6598544 0.6598544 0.1802912), wk = 0.0025974 k( 310) = ( 0.6570499 0.6570499 0.1859002), wk = 0.0025974 k( 311) = ( 0.6542455 0.6542455 0.1915091), wk = 0.0025974 k( 312) = ( 0.6514410 0.6514410 0.1971180), wk = 0.0025974 k( 313) = ( 0.6486365 0.6486365 0.2027269), wk = 0.0025974 k( 314) = ( 0.6458321 0.6458321 0.2083359), wk = 0.0025974 k( 315) = ( 0.6430276 0.6430276 0.2139448), wk = 0.0025974 k( 316) = ( 0.6402231 0.6402231 0.2195537), wk = 0.0025974 k( 317) = ( 0.6374187 0.6374187 0.2251626), wk = 0.0025974 k( 318) = ( 0.6346142 0.6346142 0.2307716), wk = 0.0025974 k( 319) = ( 0.6318097 0.6318097 0.2363805), wk = 0.0025974 k( 320) = ( 0.6290053 0.6290053 0.2419894), wk = 0.0025974 k( 321) = ( 0.6262008 0.6262008 0.2475983), wk = 0.0025974 k( 322) = ( 0.6233964 0.6233964 0.2532073), wk = 0.0025974 k( 323) = ( 0.6205919 0.6205919 0.2588162), wk = 0.0025974 k( 324) = ( 0.6177874 0.6177874 0.2644251), wk = 0.0025974 k( 325) = ( 0.6149830 0.6149830 0.2700340), wk = 0.0025974 k( 326) = ( 0.6121785 0.6121785 0.2756430), wk = 0.0025974 k( 327) = ( 0.6093741 0.6093741 0.2812519), wk = 0.0025974 k( 328) = ( 0.6065696 0.6065696 0.2868608), wk = 0.0025974 k( 329) = ( 0.6037651 0.6037651 0.2924698), wk = 0.0025974 k( 330) = ( 0.6009607 0.6009607 0.2980787), wk = 0.0025974 k( 331) = ( 0.5981562 0.5981562 0.3036876), wk = 0.0025974 k( 332) = ( 0.5953517 0.5953517 0.3092965), wk = 0.0025974 k( 333) = ( 0.5925473 0.5925473 0.3149054), wk = 0.0025974 k( 334) = ( 0.5897428 0.5897428 0.3205144), wk = 0.0025974 k( 335) = ( 0.5869384 0.5869384 0.3261233), wk = 0.0025974 k( 336) = ( 0.5841339 0.5841339 0.3317322), wk = 0.0025974 k( 337) = ( 0.5813294 0.5813294 0.3373411), wk = 0.0025974 k( 338) = ( 0.5785250 0.5785250 0.3429501), wk = 0.0025974 k( 339) = ( 0.5757205 0.5757205 0.3485590), wk = 0.0025974 k( 340) = ( 0.5729160 0.5729160 0.3541679), wk = 0.0025974 k( 341) = ( 0.5701116 0.5701116 0.3597769), wk = 0.0025974 k( 342) = ( 0.5673071 0.5673071 0.3653858), wk = 0.0025974 k( 343) = ( 0.5645026 0.5645026 0.3709947), wk = 0.0025974 k( 344) = ( 0.5616982 0.5616982 0.3766036), wk = 0.0025974 k( 345) = ( 0.5588937 0.5588937 0.3822126), wk = 0.0025974 k( 346) = ( 0.5560893 0.5560893 0.3878215), wk = 0.0025974 k( 347) = ( 0.5532848 0.5532848 0.3934304), wk = 0.0025974 k( 348) = ( 0.5504803 0.5504803 0.3990393), wk = 0.0025974 k( 349) = ( 0.5476759 0.5476759 0.4046483), wk = 0.0025974 k( 350) = ( 0.5448714 0.5448714 0.4102572), wk = 0.0025974 k( 351) = ( 0.5420669 0.5420669 0.4158661), wk = 0.0025974 k( 352) = ( 0.5392625 0.5392625 0.4214750), wk = 0.0025974 k( 353) = ( 0.5364580 0.5364580 0.4270840), wk = 0.0025974 k( 354) = ( 0.5336536 0.5336536 0.4326929), wk = 0.0025974 k( 355) = ( 0.5308491 0.5308491 0.4383018), wk = 0.0025974 k( 356) = ( 0.5280446 0.5280446 0.4439107), wk = 0.0025974 k( 357) = ( 0.5252402 0.5252402 0.4495197), wk = 0.0025974 k( 358) = ( 0.5224357 0.5224357 0.4551286), wk = 0.0025974 k( 359) = ( 0.5196312 0.5196312 0.4607375), wk = 0.0025974 k( 360) = ( 0.5168268 0.5168268 0.4663464), wk = 0.0025974 k( 361) = ( 0.5140223 0.5140223 0.4719554), wk = 0.0025974 k( 362) = ( 0.5112178 0.5112178 0.4775643), wk = 0.0025974 k( 363) = ( 0.5084134 0.5084134 0.4831732), wk = 0.0025974 k( 364) = ( 0.5056089 0.5056089 0.4887822), wk = 0.0025974 k( 365) = ( 0.5028045 0.5028045 0.4943911), wk = 0.0025974 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025974 k( 367) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025974 k( 368) = ( 0.5177616 0.0188970 0.0188970), wk = 0.0025974 k( 369) = ( 0.5355232 0.0377940 0.0377940), wk = 0.0025974 k( 370) = ( 0.5532848 0.0566909 0.0566909), wk = 0.0025974 k( 371) = ( 0.5710464 0.0755879 0.0755879), wk = 0.0025974 k( 372) = ( 0.5888080 0.0944849 0.0944849), wk = 0.0025974 k( 373) = ( 0.6065696 0.1133819 0.1133819), wk = 0.0025974 k( 374) = ( 0.6243312 0.1322788 0.1322788), wk = 0.0025974 k( 375) = ( 0.6420928 0.1511758 0.1511758), wk = 0.0025974 k( 376) = ( 0.6598544 0.1700728 0.1700728), wk = 0.0025974 k( 377) = ( 0.6776160 0.1889698 0.1889698), wk = 0.0025974 k( 378) = ( 0.6953776 0.2078668 0.2078668), wk = 0.0025974 k( 379) = ( 0.7131392 0.2267637 0.2267637), wk = 0.0025974 k( 380) = ( 0.7309008 0.2456607 0.2456607), wk = 0.0025974 k( 381) = ( 0.7486624 0.2645577 0.2645577), wk = 0.0025974 k( 382) = ( 0.7664240 0.2834547 0.2834547), wk = 0.0025974 k( 383) = ( 0.7841856 0.3023517 0.3023517), wk = 0.0025974 k( 384) = ( 0.8019472 0.3212486 0.3212486), wk = 0.0025974 k( 385) = ( 0.8197088 0.3401456 0.3401456), wk = 0.0025974 Dense grid: 39995 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 18829 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 136, 48) NL pseudopotentials 0.10 Mb ( 68, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1112) G-vector shells 0.01 Mb ( 938) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 136, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./AgRhO2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.5 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.9 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.0 secs Computing kpt #: 31 total cpu time spent up to now is 18.6 secs Computing kpt #: 32 total cpu time spent up to now is 19.1 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.9 secs Computing kpt #: 36 total cpu time spent up to now is 21.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.9 secs Computing kpt #: 38 total cpu time spent up to now is 22.4 secs Computing kpt #: 39 total cpu time spent up to now is 22.9 secs Computing kpt #: 40 total cpu time spent up to now is 23.4 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.3 secs Computing kpt #: 43 total cpu time spent up to now is 24.8 secs Computing kpt #: 44 total cpu time spent up to now is 25.3 secs Computing kpt #: 45 total cpu time spent up to now is 25.8 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.2 secs Computing kpt #: 49 total cpu time spent up to now is 27.7 secs Computing kpt #: 50 total cpu time spent up to now is 28.2 secs Computing kpt #: 51 total cpu time spent up to now is 28.7 secs Computing kpt #: 52 total cpu time spent up to now is 29.1 secs Computing kpt #: 53 total cpu time spent up to now is 29.6 secs Computing kpt #: 54 total cpu time spent up to now is 30.0 secs Computing kpt #: 55 total cpu time spent up to now is 30.5 secs Computing kpt #: 56 total cpu time spent up to now is 30.9 secs Computing kpt #: 57 total cpu time spent up to now is 31.4 secs Computing kpt #: 58 total cpu time spent up to now is 31.8 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 32.7 secs Computing kpt #: 61 total cpu time spent up to now is 33.1 secs Computing kpt #: 62 total cpu time spent up to now is 33.5 secs Computing kpt #: 63 total cpu time spent up to now is 34.0 secs Computing kpt #: 64 total cpu time spent up to now is 34.4 secs Computing kpt #: 65 total cpu time spent up to now is 34.8 secs Computing kpt #: 66 total cpu time spent up to now is 35.3 secs Computing kpt #: 67 total cpu time spent up to now is 35.7 secs Computing kpt #: 68 total cpu time spent up to now is 36.2 secs Computing kpt #: 69 total cpu time spent up to now is 36.6 secs Computing kpt #: 70 total cpu time spent up to now is 37.1 secs Computing kpt #: 71 total cpu time spent up to now is 37.5 secs Computing kpt #: 72 total cpu time spent up to now is 37.9 secs Computing kpt #: 73 total cpu time spent up to now is 38.4 secs Computing kpt #: 74 total cpu time spent up to now is 38.8 secs Computing kpt #: 75 total cpu time spent up to now is 39.2 secs Computing kpt #: 76 total cpu time spent up to now is 39.6 secs Computing kpt #: 77 total cpu time spent up to now is 40.1 secs Computing kpt #: 78 total cpu time spent up to now is 40.5 secs Computing kpt #: 79 total cpu time spent up to now is 40.9 secs Computing kpt #: 80 total cpu time spent up to now is 41.4 secs Computing kpt #: 81 total cpu time spent up to now is 41.8 secs Computing kpt #: 82 total cpu time spent up to now is 42.2 secs Computing kpt #: 83 total cpu time spent up to now is 42.7 secs Computing kpt #: 84 total cpu time spent up to now is 43.2 secs Computing kpt #: 85 total cpu time spent up to now is 43.6 secs Computing kpt #: 86 total cpu time spent up to now is 44.1 secs Computing kpt #: 87 total cpu time spent up to now is 44.6 secs Computing kpt #: 88 total cpu time spent up to now is 45.0 secs Computing kpt #: 89 total cpu time spent up to now is 45.5 secs Computing kpt #: 90 total cpu time spent up to now is 46.0 secs Computing kpt #: 91 total cpu time spent up to now is 46.4 secs Computing kpt #: 92 total cpu time spent up to now is 46.9 secs Computing kpt #: 93 total cpu time spent up to now is 47.3 secs Computing kpt #: 94 total cpu time spent up to now is 47.8 secs Computing kpt #: 95 total cpu time spent up to now is 48.3 secs Computing kpt #: 96 total cpu time spent up to now is 48.7 secs Computing kpt #: 97 total cpu time spent up to now is 49.1 secs Computing kpt #: 98 total cpu time spent up to now is 49.6 secs Computing kpt #: 99 total cpu time spent up to now is 50.0 secs Computing kpt #: 100 total cpu time spent up to now is 50.5 secs Computing kpt #: 101 total cpu time spent up to now is 51.0 secs Computing kpt #: 102 total cpu time spent up to now is 51.4 secs Computing kpt #: 103 total cpu time spent up to now is 51.9 secs Computing kpt #: 104 total cpu time spent up to now is 52.4 secs Computing kpt #: 105 total cpu time spent up to now is 52.8 secs Computing kpt #: 106 total cpu time spent up to now is 53.3 secs Computing kpt #: 107 total cpu time spent up to now is 53.7 secs Computing kpt #: 108 total cpu time spent up to now is 54.2 secs Computing kpt #: 109 total cpu time spent up to now is 54.7 secs Computing kpt #: 110 total cpu time spent up to now is 55.2 secs Computing kpt #: 111 total cpu time spent up to now is 55.6 secs Computing kpt #: 112 total cpu time spent up to now is 56.1 secs Computing kpt #: 113 total cpu time spent up to now is 56.6 secs Computing kpt #: 114 total cpu time spent up to now is 57.1 secs Computing kpt #: 115 total cpu time spent up to now is 57.6 secs Computing kpt #: 116 total cpu time spent up to now is 58.2 secs Computing kpt #: 117 total cpu time spent up to now is 58.7 secs Computing kpt #: 118 total cpu time spent up to now is 59.3 secs Computing kpt #: 119 total cpu time spent up to now is 59.8 secs Computing kpt #: 120 total cpu time spent up to now is 60.3 secs Computing kpt #: 121 total cpu time spent up to now is 60.7 secs Computing kpt #: 122 total cpu time spent up to now is 61.2 secs Computing kpt #: 123 total cpu time spent up to now is 61.7 secs Computing kpt #: 124 total cpu time spent up to now is 62.1 secs Computing kpt #: 125 total cpu time spent up to now is 62.6 secs Computing kpt #: 126 total cpu time spent up to now is 63.0 secs Computing kpt #: 127 total cpu time spent up to now is 63.5 secs Computing kpt #: 128 total cpu time spent up to now is 63.9 secs Computing kpt #: 129 total cpu time spent up to now is 64.4 secs Computing kpt #: 130 total cpu time spent up to now is 64.8 secs Computing kpt #: 131 total cpu time spent up to now is 65.3 secs Computing kpt #: 132 total cpu time spent up to now is 65.7 secs Computing kpt #: 133 total cpu time spent up to now is 66.1 secs Computing kpt #: 134 total cpu time spent up to now is 66.6 secs Computing kpt #: 135 total cpu time spent up to now is 67.0 secs Computing kpt #: 136 total cpu time spent up to now is 67.5 secs Computing kpt #: 137 total cpu time spent up to now is 67.9 secs Computing kpt #: 138 total cpu time spent up to now is 68.3 secs Computing kpt #: 139 total cpu time spent up to now is 68.8 secs Computing kpt #: 140 total cpu time spent up to now is 69.2 secs Computing kpt #: 141 total cpu time spent up to now is 69.6 secs Computing kpt #: 142 total cpu time spent up to now is 70.0 secs Computing kpt #: 143 total cpu time spent up to now is 70.5 secs Computing kpt #: 144 total cpu time spent up to now is 70.9 secs Computing kpt #: 145 total cpu time spent up to now is 71.3 secs Computing kpt #: 146 total cpu time spent up to now is 71.7 secs Computing kpt #: 147 total cpu time spent up to now is 72.2 secs Computing kpt #: 148 total cpu time spent up to now is 72.6 secs Computing kpt #: 149 total cpu time spent up to now is 73.0 secs Computing kpt #: 150 total cpu time spent up to now is 73.4 secs Computing kpt #: 151 total cpu time spent up to now is 73.8 secs Computing kpt #: 152 total cpu time spent up to now is 74.2 secs Computing kpt #: 153 total cpu time spent up to now is 74.6 secs Computing kpt #: 154 total cpu time spent up to now is 75.1 secs Computing kpt #: 155 total cpu time spent up to now is 75.5 secs Computing kpt #: 156 total cpu time spent up to now is 75.9 secs Computing kpt #: 157 total cpu time spent up to now is 76.3 secs Computing kpt #: 158 total cpu time spent up to now is 76.7 secs Computing kpt #: 159 total cpu time spent up to now is 77.1 secs Computing kpt #: 160 total cpu time spent up to now is 77.5 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.7 secs Computing kpt #: 164 total cpu time spent up to now is 79.1 secs Computing kpt #: 165 total cpu time spent up to now is 79.5 secs Computing kpt #: 166 total cpu time spent up to now is 79.9 secs Computing kpt #: 167 total cpu time spent up to now is 80.3 secs Computing kpt #: 168 total cpu time spent up to now is 80.7 secs Computing kpt #: 169 total cpu time spent up to now is 81.1 secs Computing kpt #: 170 total cpu time spent up to now is 81.5 secs Computing kpt #: 171 total cpu time spent up to now is 82.0 secs Computing kpt #: 172 total cpu time spent up to now is 82.4 secs Computing kpt #: 173 total cpu time spent up to now is 82.8 secs Computing kpt #: 174 total cpu time spent up to now is 83.2 secs Computing kpt #: 175 total cpu time spent up to now is 83.6 secs Computing kpt #: 176 total cpu time spent up to now is 84.1 secs Computing kpt #: 177 total cpu time spent up to now is 84.5 secs Computing kpt #: 178 total cpu time spent up to now is 84.9 secs Computing kpt #: 179 total cpu time spent up to now is 85.4 secs Computing kpt #: 180 total cpu time spent up to now is 85.8 secs Computing kpt #: 181 total cpu time spent up to now is 86.3 secs Computing kpt #: 182 total cpu time spent up to now is 87.0 secs Computing kpt #: 183 total cpu time spent up to now is 87.5 secs Computing kpt #: 184 total cpu time spent up to now is 88.0 secs Computing kpt #: 185 total cpu time spent up to now is 88.4 secs Computing kpt #: 186 total cpu time spent up to now is 88.8 secs Computing kpt #: 187 total cpu time spent up to now is 89.3 secs Computing kpt #: 188 total cpu time spent up to now is 89.7 secs Computing kpt #: 189 total cpu time spent up to now is 90.2 secs Computing kpt #: 190 total cpu time spent up to now is 90.6 secs Computing kpt #: 191 total cpu time spent up to now is 91.1 secs Computing kpt #: 192 total cpu time spent up to now is 91.5 secs Computing kpt #: 193 total cpu time spent up to now is 92.0 secs Computing kpt #: 194 total cpu time spent up to now is 92.4 secs Computing kpt #: 195 total cpu time spent up to now is 92.8 secs Computing kpt #: 196 total cpu time spent up to now is 93.3 secs Computing kpt #: 197 total cpu time spent up to now is 93.7 secs Computing kpt #: 198 total cpu time spent up to now is 94.1 secs Computing kpt #: 199 total cpu time spent up to now is 94.5 secs Computing kpt #: 200 total cpu time spent up to now is 95.0 secs Computing kpt #: 201 total cpu time spent up to now is 95.4 secs Computing kpt #: 202 total cpu time spent up to now is 95.9 secs Computing kpt #: 203 total cpu time spent up to now is 96.3 secs Computing kpt #: 204 total cpu time spent up to now is 96.8 secs Computing kpt #: 205 total cpu time spent up to now is 97.2 secs Computing kpt #: 206 total cpu time spent up to now is 97.7 secs Computing kpt #: 207 total cpu time spent up to now is 98.1 secs Computing kpt #: 208 total cpu time spent up to now is 98.6 secs Computing kpt #: 209 total cpu time spent up to now is 99.1 secs Computing kpt #: 210 total cpu time spent up to now is 99.5 secs Computing kpt #: 211 total cpu time spent up to now is 100.0 secs Computing kpt #: 212 total cpu time spent up to now is 100.5 secs Computing kpt #: 213 total cpu time spent up to now is 101.0 secs Computing kpt #: 214 total cpu time spent up to now is 101.4 secs Computing kpt #: 215 total cpu time spent up to now is 101.9 secs Computing kpt #: 216 total cpu time spent up to now is 102.4 secs Computing kpt #: 217 total cpu time spent up to now is 102.9 secs Computing kpt #: 218 total cpu time spent up to now is 103.4 secs Computing kpt #: 219 total cpu time spent up to now is 103.9 secs Computing kpt #: 220 total cpu time spent up to now is 104.4 secs Computing kpt #: 221 total cpu time spent up to now is 105.0 secs Computing kpt #: 222 total cpu time spent up to now is 105.5 secs Computing kpt #: 223 total cpu time spent up to now is 106.1 secs Computing kpt #: 224 total cpu time spent up to now is 106.7 secs Computing kpt #: 225 total cpu time spent up to now is 107.3 secs Computing kpt #: 226 total cpu time spent up to now is 107.8 secs Computing kpt #: 227 total cpu time spent up to now is 108.4 secs Computing kpt #: 228 total cpu time spent up to now is 109.0 secs Computing kpt #: 229 total cpu time spent up to now is 109.6 secs Computing kpt #: 230 total cpu time spent up to now is 110.2 secs Computing kpt #: 231 total cpu time spent up to now is 110.7 secs Computing kpt #: 232 total cpu time spent up to now is 111.3 secs Computing kpt #: 233 total cpu time spent up to now is 112.0 secs Computing kpt #: 234 total cpu time spent up to now is 112.6 secs Computing kpt #: 235 total cpu time spent up to now is 113.2 secs Computing kpt #: 236 total cpu time spent up to now is 114.0 secs Computing kpt #: 237 total cpu time spent up to now is 114.6 secs Computing kpt #: 238 total cpu time spent up to now is 115.3 secs Computing kpt #: 239 total cpu time spent up to now is 116.0 secs Computing kpt #: 240 total cpu time spent up to now is 116.6 secs Computing kpt #: 241 total cpu time spent up to now is 117.2 secs Computing kpt #: 242 total cpu time spent up to now is 117.9 secs Computing kpt #: 243 total cpu time spent up to now is 118.5 secs Computing kpt #: 244 total cpu time spent up to now is 119.1 secs Computing kpt #: 245 total cpu time spent up to now is 119.6 secs Computing kpt #: 246 total cpu time spent up to now is 120.2 secs Computing kpt #: 247 total cpu time spent up to now is 120.7 secs Computing kpt #: 248 total cpu time spent up to now is 121.2 secs Computing kpt #: 249 total cpu time spent up to now is 121.7 secs Computing kpt #: 250 total cpu time spent up to now is 122.2 secs Computing kpt #: 251 total cpu time spent up to now is 122.7 secs Computing kpt #: 252 total cpu time spent up to now is 123.1 secs Computing kpt #: 253 total cpu time spent up to now is 123.6 secs Computing kpt #: 254 total cpu time spent up to now is 124.1 secs Computing kpt #: 255 total cpu time spent up to now is 124.5 secs Computing kpt #: 256 total cpu time spent up to now is 125.0 secs Computing kpt #: 257 total cpu time spent up to now is 125.5 secs Computing kpt #: 258 total cpu time spent up to now is 125.9 secs Computing kpt #: 259 total cpu time spent up to now is 126.4 secs Computing kpt #: 260 total cpu time spent up to now is 126.8 secs Computing kpt #: 261 total cpu time spent up to now is 127.3 secs Computing kpt #: 262 total cpu time spent up to now is 127.8 secs Computing kpt #: 263 total cpu time spent up to now is 128.2 secs Computing kpt #: 264 total cpu time spent up to now is 128.7 secs Computing kpt #: 265 total cpu time spent up to now is 129.1 secs Computing kpt #: 266 total cpu time spent up to now is 129.6 secs Computing kpt #: 267 total cpu time spent up to now is 130.1 secs Computing kpt #: 268 total cpu time spent up to now is 130.5 secs Computing kpt #: 269 total cpu time spent up to now is 131.0 secs Computing kpt #: 270 total cpu time spent up to now is 131.5 secs Computing kpt #: 271 total cpu time spent up to now is 131.9 secs Computing kpt #: 272 total cpu time spent up to now is 132.4 secs Computing kpt #: 273 total cpu time spent up to now is 132.9 secs Computing kpt #: 274 total cpu time spent up to now is 133.3 secs Computing kpt #: 275 total cpu time spent up to now is 133.8 secs Computing kpt #: 276 total cpu time spent up to now is 134.2 secs Computing kpt #: 277 total cpu time spent up to now is 134.7 secs Computing kpt #: 278 total cpu time spent up to now is 135.1 secs Computing kpt #: 279 total cpu time spent up to now is 135.6 secs Computing kpt #: 280 total cpu time spent up to now is 136.0 secs Computing kpt #: 281 total cpu time spent up to now is 136.5 secs Computing kpt #: 282 total cpu time spent up to now is 136.9 secs Computing kpt #: 283 total cpu time spent up to now is 137.4 secs Computing kpt #: 284 total cpu time spent up to now is 137.8 secs Computing kpt #: 285 total cpu time spent up to now is 138.2 secs Computing kpt #: 286 total cpu time spent up to now is 138.7 secs Computing kpt #: 287 total cpu time spent up to now is 139.1 secs Computing kpt #: 288 total cpu time spent up to now is 139.6 secs Computing kpt #: 289 total cpu time spent up to now is 140.0 secs Computing kpt #: 290 total cpu time spent up to now is 140.4 secs Computing kpt #: 291 total cpu time spent up to now is 140.9 secs Computing kpt #: 292 total cpu time spent up to now is 141.3 secs Computing kpt #: 293 total cpu time spent up to now is 141.8 secs Computing kpt #: 294 total cpu time spent up to now is 142.2 secs Computing kpt #: 295 total cpu time spent up to now is 142.7 secs Computing kpt #: 296 total cpu time spent up to now is 143.1 secs Computing kpt #: 297 total cpu time spent up to now is 143.5 secs Computing kpt #: 298 total cpu time spent up to now is 143.9 secs Computing kpt #: 299 total cpu time spent up to now is 144.4 secs Computing kpt #: 300 total cpu time spent up to now is 144.8 secs Computing kpt #: 301 total cpu time spent up to now is 145.3 secs Computing kpt #: 302 total cpu time spent up to now is 145.7 secs Computing kpt #: 303 total cpu time spent up to now is 146.2 secs Computing kpt #: 304 total cpu time spent up to now is 146.6 secs Computing kpt #: 305 total cpu time spent up to now is 147.1 secs Computing kpt #: 306 total cpu time spent up to now is 147.6 secs Computing kpt #: 307 total cpu time spent up to now is 148.0 secs Computing kpt #: 308 total cpu time spent up to now is 148.5 secs Computing kpt #: 309 total cpu time spent up to now is 149.0 secs Computing kpt #: 310 total cpu time spent up to now is 149.4 secs Computing kpt #: 311 total cpu time spent up to now is 149.9 secs Computing kpt #: 312 total cpu time spent up to now is 150.4 secs Computing kpt #: 313 total cpu time spent up to now is 150.9 secs Computing kpt #: 314 total cpu time spent up to now is 151.3 secs Computing kpt #: 315 total cpu time spent up to now is 151.8 secs Computing kpt #: 316 total cpu time spent up to now is 152.3 secs Computing kpt #: 317 total cpu time spent up to now is 152.8 secs Computing kpt #: 318 total cpu time spent up to now is 153.3 secs Computing kpt #: 319 total cpu time spent up to now is 153.8 secs Computing kpt #: 320 total cpu time spent up to now is 154.3 secs Computing kpt #: 321 total cpu time spent up to now is 154.8 secs Computing kpt #: 322 total cpu time spent up to now is 155.3 secs Computing kpt #: 323 total cpu time spent up to now is 155.8 secs Computing kpt #: 324 total cpu time spent up to now is 156.3 secs Computing kpt #: 325 total cpu time spent up to now is 156.8 secs Computing kpt #: 326 total cpu time spent up to now is 157.3 secs Computing kpt #: 327 total cpu time spent up to now is 157.7 secs Computing kpt #: 328 total cpu time spent up to now is 158.2 secs Computing kpt #: 329 total cpu time spent up to now is 158.6 secs Computing kpt #: 330 total cpu time spent up to now is 159.1 secs Computing kpt #: 331 total cpu time spent up to now is 159.5 secs Computing kpt #: 332 total cpu time spent up to now is 160.0 secs Computing kpt #: 333 total cpu time spent up to now is 160.4 secs Computing kpt #: 334 total cpu time spent up to now is 160.8 secs Computing kpt #: 335 total cpu time spent up to now is 161.3 secs Computing kpt #: 336 total cpu time spent up to now is 161.7 secs Computing kpt #: 337 total cpu time spent up to now is 162.1 secs Computing kpt #: 338 total cpu time spent up to now is 162.5 secs Computing kpt #: 339 total cpu time spent up to now is 163.0 secs Computing kpt #: 340 total cpu time spent up to now is 163.4 secs Computing kpt #: 341 total cpu time spent up to now is 163.8 secs Computing kpt #: 342 total cpu time spent up to now is 164.3 secs Computing kpt #: 343 total cpu time spent up to now is 164.7 secs Computing kpt #: 344 total cpu time spent up to now is 165.1 secs Computing kpt #: 345 total cpu time spent up to now is 165.5 secs Computing kpt #: 346 total cpu time spent up to now is 166.0 secs Computing kpt #: 347 total cpu time spent up to now is 166.4 secs Computing kpt #: 348 total cpu time spent up to now is 166.8 secs Computing kpt #: 349 total cpu time spent up to now is 167.2 secs Computing kpt #: 350 total cpu time spent up to now is 167.6 secs Computing kpt #: 351 total cpu time spent up to now is 168.0 secs Computing kpt #: 352 total cpu time spent up to now is 168.4 secs Computing kpt #: 353 total cpu time spent up to now is 168.9 secs Computing kpt #: 354 total cpu time spent up to now is 169.3 secs Computing kpt #: 355 total cpu time spent up to now is 169.7 secs Computing kpt #: 356 total cpu time spent up to now is 170.1 secs Computing kpt #: 357 total cpu time spent up to now is 170.5 secs Computing kpt #: 358 total cpu time spent up to now is 170.9 secs Computing kpt #: 359 total cpu time spent up to now is 171.3 secs Computing kpt #: 360 total cpu time spent up to now is 171.7 secs Computing kpt #: 361 total cpu time spent up to now is 172.1 secs Computing kpt #: 362 total cpu time spent up to now is 172.6 secs Computing kpt #: 363 total cpu time spent up to now is 173.0 secs Computing kpt #: 364 total cpu time spent up to now is 173.4 secs Computing kpt #: 365 total cpu time spent up to now is 173.8 secs Computing kpt #: 366 total cpu time spent up to now is 174.2 secs Computing kpt #: 367 total cpu time spent up to now is 174.7 secs Computing kpt #: 368 total cpu time spent up to now is 175.1 secs Computing kpt #: 369 total cpu time spent up to now is 175.5 secs Computing kpt #: 370 total cpu time spent up to now is 176.0 secs Computing kpt #: 371 total cpu time spent up to now is 176.4 secs Computing kpt #: 372 total cpu time spent up to now is 176.8 secs Computing kpt #: 373 total cpu time spent up to now is 177.3 secs Computing kpt #: 374 total cpu time spent up to now is 177.7 secs Computing kpt #: 375 total cpu time spent up to now is 178.2 secs Computing kpt #: 376 total cpu time spent up to now is 178.7 secs Computing kpt #: 377 total cpu time spent up to now is 179.1 secs Computing kpt #: 378 total cpu time spent up to now is 179.6 secs Computing kpt #: 379 total cpu time spent up to now is 180.1 secs Computing kpt #: 380 total cpu time spent up to now is 180.5 secs Computing kpt #: 381 total cpu time spent up to now is 181.0 secs Computing kpt #: 382 total cpu time spent up to now is 181.5 secs Computing kpt #: 383 total cpu time spent up to now is 182.0 secs Computing kpt #: 384 total cpu time spent up to now is 182.4 secs Computing kpt #: 385 total cpu time spent up to now is 182.9 secs ethr = 2.50E-08, avg # of iterations = 16.7 total cpu time spent up to now is 182.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7187 -7.7187 -6.5122 -6.5122 3.9611 3.9611 5.7761 5.7761 5.8163 5.8163 6.8749 6.8749 7.8518 7.8518 8.1265 8.1265 8.3418 8.3418 8.7236 8.7236 8.9526 8.9526 9.1720 9.1720 9.2240 9.2240 10.4338 10.4338 10.4969 10.4969 10.9764 10.9764 13.9026 13.9026 14.5999 14.5999 14.6718 14.6718 17.9489 17.9489 k = 0.0083-0.0160-0.0096 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1131 -33.1131 -7.7181 -7.7181 -6.5123 -6.5123 3.9620 3.9620 5.7758 5.7758 5.8160 5.8160 6.8760 6.8760 7.8519 7.8519 8.1280 8.1280 8.3420 8.3420 8.7231 8.7231 8.9520 8.9520 9.1686 9.1686 9.2207 9.2207 10.4363 10.4363 10.4992 10.4992 10.9769 10.9769 13.9040 13.9040 14.5986 14.5986 14.6705 14.6705 17.9524 17.9524 k = 0.0167-0.0320-0.0192 ( 2327 PWs) bands (ev): -66.4824 -66.4824 -37.0324 -37.0324 -33.1236 -33.1236 -33.1133 -33.1133 -7.7163 -7.7163 -6.5129 -6.5129 3.9646 3.9646 5.7747 5.7747 5.8154 5.8154 6.8792 6.8792 7.8522 7.8522 8.1323 8.1323 8.3423 8.3423 8.7217 8.7217 8.9501 8.9501 9.1585 9.1585 9.2112 9.2112 10.4436 10.4436 10.5064 10.5064 10.9785 10.9785 13.9083 13.9083 14.5946 14.5946 14.6669 14.6669 17.9629 17.9629 k = 0.0250-0.0479-0.0288 ( 2321 PWs) bands (ev): -66.4824 -66.4824 -37.0325 -37.0325 -33.1237 -33.1237 -33.1137 -33.1137 -7.7133 -7.7133 -6.5137 -6.5137 3.9689 3.9689 5.7721 5.7721 5.8149 5.8149 6.8846 6.8846 7.8527 7.8527 8.1395 8.1395 8.3429 8.3429 8.7193 8.7193 8.9469 8.9469 9.1409 9.1409 9.1970 9.1970 10.4554 10.4554 10.5181 10.5181 10.9812 10.9812 13.9152 13.9152 14.5875 14.5875 14.6613 14.6613 17.9802 17.9802 k = 0.0333-0.0639-0.0384 ( 2322 PWs) bands (ev): -66.4823 -66.4823 -37.0328 -37.0328 -33.1238 -33.1238 -33.1142 -33.1142 -7.7091 -7.7091 -6.5149 -6.5149 3.9749 3.9749 5.7673 5.7673 5.8156 5.8156 6.8920 6.8920 7.8533 7.8533 8.1491 8.1491 8.3438 8.3438 8.7158 8.7158 8.9420 8.9420 9.1153 9.1153 9.1799 9.1799 10.4709 10.4709 10.5341 10.5341 10.9849 10.9849 13.9247 13.9247 14.5771 14.5771 14.6542 14.6542 18.0042 18.0042 k = 0.0417-0.0799-0.0480 ( 2322 PWs) bands (ev): -66.4822 -66.4822 -37.0330 -37.0330 -33.1239 -33.1239 -33.1149 -33.1149 -7.7038 -7.7038 -6.5165 -6.5165 3.9827 3.9827 5.7599 5.7599 5.8178 5.8178 6.9015 6.9015 7.8540 7.8540 8.1609 8.1609 8.3449 8.3449 8.7111 8.7111 8.9354 8.9354 9.0818 9.0818 9.1615 9.1615 10.4893 10.4893 10.5542 10.5542 10.9897 10.9897 13.9367 13.9367 14.5629 14.5629 14.6465 14.6465 18.0346 18.0346 k = 0.0500-0.0959-0.0576 ( 2321 PWs) bands (ev): -66.4821 -66.4821 -37.0334 -37.0334 -33.1241 -33.1241 -33.1157 -33.1157 -7.6973 -7.6973 -6.5184 -6.5184 3.9921 3.9921 5.7500 5.7500 5.8219 5.8219 6.9129 6.9129 7.8547 7.8547 8.1744 8.1744 8.3464 8.3464 8.7053 8.7053 8.9267 8.9267 9.0415 9.0415 9.1429 9.1429 10.5096 10.5096 10.5782 10.5782 10.9957 10.9957 13.9508 13.9508 14.5450 14.5450 14.6385 14.6385 18.0710 18.0710 k = 0.0583-0.1118-0.0672 ( 2322 PWs) bands (ev): -66.4820 -66.4820 -37.0338 -37.0338 -33.1244 -33.1244 -33.1166 -33.1166 -7.6896 -7.6896 -6.5206 -6.5206 4.0032 4.0032 5.7378 5.7378 5.8275 5.8275 6.9262 6.9262 7.8553 7.8553 8.1892 8.1892 8.3482 8.3482 8.6980 8.6980 8.9155 8.9155 8.9959 8.9959 9.1251 9.1251 10.5310 10.5310 10.6057 10.6057 11.0029 11.0029 13.9669 13.9669 14.5236 14.5236 14.6304 14.6304 18.1133 18.1133 k = 0.0667-0.1278-0.0768 ( 2319 PWs) bands (ev): -66.4819 -66.4819 -37.0343 -37.0343 -33.1248 -33.1248 -33.1175 -33.1175 -7.6808 -7.6808 -6.5231 -6.5231 4.0160 4.0160 5.7236 5.7236 5.8345 5.8345 6.9413 6.9413 7.8558 7.8558 8.2045 8.2045 8.3505 8.3505 8.6891 8.6891 8.9003 8.9003 8.9478 8.9478 9.1086 9.1086 10.5528 10.5528 10.6363 10.6363 11.0114 11.0114 13.9845 13.9845 14.4992 14.4992 14.6222 14.6222 18.1609 18.1609 k = 0.0750-0.1438-0.0863 ( 2320 PWs) bands (ev): -66.4817 -66.4817 -37.0348 -37.0348 -33.1253 -33.1253 -33.1184 -33.1184 -7.6709 -7.6709 -6.5260 -6.5260 4.0303 4.0303 5.7079 5.7079 5.8427 5.8427 6.9579 6.9579 7.8560 7.8560 8.2194 8.2194 8.3531 8.3531 8.6781 8.6781 8.8737 8.8737 8.9065 8.9065 9.0943 9.0943 10.5744 10.5744 10.6696 10.6696 11.0212 11.0212 14.0032 14.0032 14.4727 14.4727 14.6139 14.6139 18.2136 18.2136 k = 0.0833-0.1598-0.0959 ( 2327 PWs) bands (ev): -66.4815 -66.4815 -37.0354 -37.0354 -33.1262 -33.1262 -33.1193 -33.1193 -7.6600 -7.6600 -6.5292 -6.5292 4.0462 4.0462 5.6908 5.6908 5.8521 5.8521 6.9759 6.9759 7.8559 7.8559 8.2327 8.2327 8.3561 8.3561 8.6644 8.6644 8.8270 8.8270 8.8832 8.8832 9.0824 9.0824 10.5955 10.5955 10.7049 10.7049 11.0324 11.0324 14.0225 14.0225 14.4448 14.4448 14.6055 14.6055 18.2708 18.2708 k = 0.0917-0.1758-0.1055 ( 2333 PWs) bands (ev): -66.4814 -66.4814 -37.0361 -37.0361 -33.1273 -33.1273 -33.1200 -33.1200 -7.6479 -7.6479 -6.5326 -6.5326 4.0637 4.0637 5.6728 5.6728 5.8625 5.8625 6.9952 6.9952 7.8551 7.8551 8.2431 8.2431 8.3595 8.3595 8.6473 8.6473 8.7746 8.7746 8.8667 8.8667 9.0731 9.0731 10.6158 10.6158 10.7416 10.7416 11.0452 11.0452 14.0415 14.0415 14.4165 14.4165 14.5967 14.5967 18.3322 18.3322 k = 0.1000-0.1917-0.1151 ( 2339 PWs) bands (ev): -66.4812 -66.4812 -37.0368 -37.0368 -33.1287 -33.1287 -33.1205 -33.1205 -7.6349 -7.6349 -6.5364 -6.5364 4.0826 4.0826 5.6539 5.6539 5.8739 5.8739 7.0154 7.0154 7.8537 7.8537 8.2487 8.2487 8.3630 8.3630 8.6259 8.6259 8.7241 8.7241 8.8534 8.8534 9.0662 9.0662 10.6351 10.6351 10.7792 10.7792 11.0597 11.0597 14.0590 14.0590 14.3894 14.3894 14.5878 14.5878 18.3975 18.3975 k = 0.1083-0.2077-0.1247 ( 2337 PWs) bands (ev): -66.4809 -66.4809 -37.0376 -37.0376 -33.1304 -33.1304 -33.1210 -33.1210 -7.6208 -7.6208 -6.5404 -6.5404 4.1031 4.1031 5.6346 5.6346 5.8862 5.8862 7.0363 7.0363 7.8514 7.8514 8.2472 8.2472 8.3667 8.3667 8.5999 8.5999 8.6792 8.6792 8.8440 8.8440 9.0616 9.0616 10.6535 10.6535 10.8173 10.8173 11.0759 11.0759 14.0737 14.0737 14.3650 14.3650 14.5786 14.5786 18.4662 18.4662 k = 0.1167-0.2237-0.1343 ( 2339 PWs) bands (ev): -66.4807 -66.4807 -37.0384 -37.0384 -33.1323 -33.1323 -33.1213 -33.1213 -7.6057 -7.6057 -6.5447 -6.5447 4.1249 4.1249 5.6150 5.6150 5.8993 5.8993 7.0575 7.0575 7.8477 7.8477 8.2364 8.2364 8.3697 8.3697 8.5709 8.5709 8.6414 8.6414 8.8394 8.8394 9.0590 9.0590 10.6707 10.6707 10.8553 10.8553 11.0941 11.0941 14.0832 14.0832 14.3457 14.3457 14.5692 14.5692 18.5381 18.5381 k = 0.1250-0.2397-0.1439 ( 2337 PWs) bands (ev): -66.4805 -66.4805 -37.0393 -37.0393 -33.1344 -33.1344 -33.1215 -33.1215 -7.5898 -7.5898 -6.5493 -6.5493 4.1481 4.1481 5.5953 5.5953 5.9131 5.9131 7.0784 7.0784 7.8422 7.8422 8.2152 8.2152 8.3711 8.3711 8.5427 8.5427 8.6102 8.6102 8.8401 8.8401 9.0582 9.0582 10.6866 10.6866 10.8928 10.8928 11.1143 11.1143 14.0853 14.0853 14.3339 14.3339 14.5597 14.5597 18.6127 18.6127 k = 0.1333-0.2556-0.1535 ( 2340 PWs) bands (ev): -66.4802 -66.4802 -37.0402 -37.0402 -33.1368 -33.1368 -33.1217 -33.1217 -7.5729 -7.5729 -6.5541 -6.5541 4.1726 4.1726 5.5756 5.5756 5.9277 5.9277 7.0985 7.0985 7.8340 7.8340 8.1845 8.1845 8.3694 8.3694 8.5184 8.5184 8.5848 8.5848 8.8461 8.8461 9.0590 9.0590 10.7013 10.7013 10.9296 10.9296 11.1365 11.1365 14.0785 14.0785 14.3312 14.3312 14.5501 14.5501 18.6897 18.6897 k = 0.1417-0.2716-0.1631 ( 2341 PWs) bands (ev): -66.4799 -66.4799 -37.0411 -37.0411 -33.1392 -33.1392 -33.1218 -33.1218 -7.5552 -7.5552 -6.5591 -6.5591 4.1984 4.1984 5.5562 5.5562 5.9428 5.9428 7.1172 7.1172 7.8220 7.8220 8.1475 8.1475 8.3624 8.3624 8.4987 8.4987 8.5662 8.5662 8.8571 8.8571 9.0613 9.0613 10.7147 10.7147 10.9653 10.9653 11.1607 11.1607 14.0633 14.0633 14.3371 14.3371 14.5405 14.5405 18.7689 18.7689 k = 0.1500-0.2876-0.1727 ( 2343 PWs) bands (ev): -66.4796 -66.4796 -37.0421 -37.0421 -33.1419 -33.1419 -33.1219 -33.1219 -7.5366 -7.5366 -6.5643 -6.5643 4.2253 4.2253 5.5372 5.5372 5.9586 5.9586 7.1336 7.1336 7.8047 7.8047 8.1088 8.1088 8.3484 8.3484 8.4827 8.4827 8.5555 8.5555 8.8725 8.8725 9.0650 9.0650 10.7269 10.7269 10.9997 10.9997 11.1869 11.1869 14.0419 14.0419 14.3494 14.3494 14.5311 14.5311 18.8500 18.8500 k = 0.1583-0.3036-0.1823 ( 2341 PWs) bands (ev): -66.4793 -66.4793 -37.0432 -37.0432 -33.1446 -33.1446 -33.1220 -33.1220 -7.5173 -7.5173 -6.5698 -6.5698 4.2533 4.2533 5.5187 5.5187 5.9749 5.9749 7.1467 7.1467 7.7806 7.7806 8.0731 8.0731 8.3272 8.3272 8.4693 8.4693 8.5532 8.5532 8.8914 8.8914 9.0702 9.0702 10.7379 10.7379 11.0331 11.0331 11.2147 11.2147 14.0165 14.0165 14.3659 14.3659 14.5222 14.5222 18.9327 18.9327 k = 0.1667-0.3195-0.1919 ( 2341 PWs) bands (ev): -66.4790 -66.4790 -37.0442 -37.0442 -33.1474 -33.1474 -33.1221 -33.1221 -7.4973 -7.4973 -6.5754 -6.5754 4.2824 4.2824 5.5008 5.5008 5.9915 5.9915 7.1553 7.1553 7.7489 7.7489 8.0433 8.0433 8.3000 8.3000 8.4581 8.4581 8.5582 8.5582 8.9131 8.9131 9.0768 9.0768 10.7478 10.7478 11.0653 11.0653 11.2438 11.2438 13.9891 13.9891 14.3844 14.3844 14.5140 14.5140 19.0167 19.0167 k = 0.1750-0.3355-0.2015 ( 2347 PWs) bands (ev): -66.4787 -66.4787 -37.0454 -37.0454 -33.1504 -33.1504 -33.1222 -33.1222 -7.4767 -7.4767 -6.5812 -6.5812 4.3124 4.3124 5.4837 5.4837 6.0086 6.0086 7.1580 7.1580 7.7109 7.7109 8.0204 8.0204 8.2686 8.2686 8.4491 8.4491 8.5686 8.5686 8.9367 8.9367 9.0847 9.0847 10.7566 10.7566 11.0966 11.0966 11.2739 11.2739 13.9610 13.9610 14.4030 14.4030 14.5073 14.5073 19.1019 19.1019 k = 0.1833-0.3515-0.2111 ( 2346 PWs) bands (ev): -66.4784 -66.4784 -37.0465 -37.0465 -33.1534 -33.1534 -33.1223 -33.1223 -7.4554 -7.4554 -6.5871 -6.5871 4.3434 4.3434 5.4675 5.4675 6.0260 6.0260 7.1534 7.1534 7.6694 7.6694 8.0033 8.0033 8.2346 8.2346 8.4430 8.4430 8.5832 8.5832 8.9617 8.9617 9.0941 9.0941 10.7645 10.7645 11.1271 11.1271 11.3045 11.3045 13.9331 13.9331 14.4197 14.4197 14.5033 14.5033 19.1881 19.1881 k = 0.1917-0.3675-0.2207 ( 2346 PWs) bands (ev): -66.4780 -66.4780 -37.0477 -37.0477 -33.1565 -33.1565 -33.1223 -33.1223 -7.4335 -7.4335 -6.5931 -6.5931 4.3751 4.3751 5.4522 5.4522 6.0435 6.0435 7.1399 7.1399 7.6279 7.6279 7.9895 7.9895 8.1992 8.1992 8.4405 8.4405 8.6010 8.6010 8.9874 8.9874 9.1052 9.1052 10.7716 10.7716 11.1571 11.1571 11.3352 11.3352 13.9060 13.9060 14.4317 14.4317 14.5044 14.5044 19.2749 19.2749 k = 0.2000-0.3835-0.2303 ( 2354 PWs) bands (ev): -66.4777 -66.4777 -37.0489 -37.0489 -33.1597 -33.1597 -33.1224 -33.1224 -7.4112 -7.4112 -6.5993 -6.5993 4.4075 4.4075 5.4379 5.4379 6.0612 6.0612 7.1164 7.1164 7.5893 7.5893 7.9767 7.9767 8.1631 8.1631 8.4425 8.4425 8.6212 8.6212 9.0132 9.0132 9.1178 9.1178 10.7778 10.7778 11.1865 11.1865 11.3656 11.3656 13.8804 13.8804 14.4368 14.4368 14.5122 14.5122 19.3622 19.3622 k = 0.2083-0.3994-0.2399 ( 2355 PWs) bands (ev): -66.4774 -66.4774 -37.0501 -37.0501 -33.1629 -33.1629 -33.1224 -33.1224 -7.3884 -7.3884 -6.6055 -6.6055 4.4406 4.4406 5.4247 5.4247 6.0790 6.0790 7.0825 7.0825 7.5554 7.5554 7.9631 7.9631 8.1270 8.1270 8.4499 8.4499 8.6436 8.6436 9.0388 9.0388 9.1323 9.1323 10.7834 10.7834 11.2156 11.2156 11.3955 11.3955 13.8564 13.8564 14.4362 14.4362 14.5257 14.5257 19.4498 19.4498 k = 0.2167-0.4154-0.2494 ( 2353 PWs) bands (ev): -66.4770 -66.4770 -37.0513 -37.0513 -33.1662 -33.1662 -33.1225 -33.1225 -7.3653 -7.3653 -6.6118 -6.6118 4.4743 4.4743 5.4126 5.4126 6.0969 6.0969 7.0391 7.0391 7.5266 7.5266 7.9471 7.9471 8.0913 8.0913 8.4633 8.4633 8.6679 8.6679 9.0637 9.0637 9.1487 9.1487 10.7883 10.7883 11.2444 11.2444 11.4246 11.4246 13.8344 13.8344 14.4323 14.4323 14.5422 14.5422 19.5374 19.5374 k = 0.2250-0.4314-0.2590 ( 2350 PWs) bands (ev): -66.4766 -66.4766 -37.0526 -37.0526 -33.1695 -33.1695 -33.1225 -33.1225 -7.3418 -7.3418 -6.6181 -6.6181 4.5083 4.5083 5.4016 5.4016 6.1147 6.1147 6.9876 6.9876 7.5023 7.5023 7.9278 7.9278 8.0562 8.0562 8.4828 8.4828 8.6938 8.6938 9.0878 9.0878 9.1671 9.1671 10.7928 10.7928 11.2729 11.2729 11.4526 11.4526 13.8146 13.8146 14.4271 14.4271 14.5597 14.5597 19.6248 19.6248 k = 0.2333-0.4474-0.2686 ( 2350 PWs) bands (ev): -66.4763 -66.4763 -37.0538 -37.0538 -33.1728 -33.1728 -33.1225 -33.1225 -7.3181 -7.3181 -6.6245 -6.6245 4.5427 4.5427 5.3917 5.3917 6.1323 6.1323 6.9301 6.9301 7.4815 7.4815 7.9049 7.9049 8.0218 8.0218 8.5080 8.5080 8.7212 8.7212 9.1111 9.1111 9.1874 9.1874 10.7969 10.7969 11.3008 11.3008 11.4795 11.4795 13.7972 13.7972 14.4214 14.4214 14.5771 14.5771 19.7118 19.7118 k = 0.2417-0.4633-0.2782 ( 2354 PWs) bands (ev): -66.4759 -66.4759 -37.0551 -37.0551 -33.1762 -33.1762 -33.1226 -33.1226 -7.2942 -7.2942 -6.6308 -6.6308 4.5774 4.5774 5.3830 5.3830 6.1497 6.1497 6.8684 6.8684 7.4630 7.4630 7.8784 7.8784 7.9881 7.9881 8.5383 8.5383 8.7499 8.7499 9.1337 9.1337 9.2093 9.2093 10.8006 10.8006 11.3282 11.3282 11.5051 11.5051 13.7823 13.7823 14.4157 14.4157 14.5940 14.5940 19.7979 19.7979 k = 0.2500-0.4793-0.2878 ( 2356 PWs) bands (ev): -66.4756 -66.4756 -37.0564 -37.0564 -33.1795 -33.1795 -33.1226 -33.1226 -7.2703 -7.2703 -6.6371 -6.6371 4.6121 4.6121 5.3754 5.3754 6.1669 6.1669 6.8042 6.8042 7.4458 7.4458 7.8490 7.8490 7.9548 7.9548 8.5728 8.5728 8.7800 8.7800 9.1561 9.1561 9.2328 9.2328 10.8041 10.8041 11.3549 11.3549 11.5294 11.5294 13.7700 13.7700 14.4104 14.4104 14.6102 14.6102 19.8826 19.8826 k = 0.2583-0.4953-0.2974 ( 2356 PWs) bands (ev): -66.4752 -66.4752 -37.0576 -37.0576 -33.1829 -33.1829 -33.1226 -33.1226 -7.2463 -7.2463 -6.6433 -6.6433 4.6469 4.6469 5.3689 5.3689 6.1837 6.1837 6.7388 6.7388 7.4293 7.4293 7.8171 7.8171 7.9220 7.9220 8.6104 8.6104 8.8114 8.8114 9.1785 9.1785 9.2577 9.2577 10.8075 10.8075 11.3807 11.3807 11.5524 11.5524 13.7603 13.7603 14.4056 14.4056 14.6255 14.6255 19.9654 19.9654 k = 0.2667-0.5113-0.3070 ( 2358 PWs) bands (ev): -66.4748 -66.4748 -37.0589 -37.0589 -33.1862 -33.1862 -33.1227 -33.1227 -7.2223 -7.2223 -6.6495 -6.6495 4.6815 4.6815 5.3634 5.3634 6.2001 6.2001 6.6733 6.6733 7.4132 7.4132 7.7832 7.7832 7.8895 7.8895 8.6499 8.6499 8.8440 8.8440 9.2011 9.2011 9.2841 9.2841 10.8107 10.8107 11.4053 11.4053 11.5741 11.5741 13.7534 13.7534 14.4014 14.4014 14.6398 14.6398 20.0451 20.0451 k = 0.2750-0.5273-0.3166 ( 2358 PWs) bands (ev): -66.4745 -66.4745 -37.0602 -37.0602 -33.1895 -33.1895 -33.1227 -33.1227 -7.1985 -7.1985 -6.6555 -6.6555 4.7159 4.7159 5.3589 5.3589 6.2161 6.2161 6.6084 6.6084 7.3970 7.3970 7.7477 7.7477 7.8574 7.8574 8.6903 8.6903 8.8776 8.8776 9.2242 9.2242 9.3121 9.3121 10.8141 10.8141 11.4286 11.4286 11.5948 11.5948 13.7491 13.7491 14.3978 14.3978 14.6532 14.6532 20.1203 20.1203 k = 0.2833-0.5432-0.3262 ( 2359 PWs) bands (ev): -66.4741 -66.4741 -37.0614 -37.0614 -33.1928 -33.1928 -33.1227 -33.1227 -7.1749 -7.1749 -6.6613 -6.6613 4.7498 4.7498 5.3552 5.3552 6.2315 6.2315 6.5450 6.5450 7.3806 7.3806 7.7109 7.7109 7.8259 7.8259 8.7306 8.7306 8.9120 8.9120 9.2478 9.2478 9.3422 9.3422 10.8176 10.8176 11.4501 11.4501 11.6145 11.6145 13.7475 13.7475 14.3950 14.3950 14.6657 14.6657 20.1883 20.1883 k = 0.2917-0.5592-0.3358 ( 2354 PWs) bands (ev): -66.4738 -66.4738 -37.0627 -37.0627 -33.1961 -33.1961 -33.1227 -33.1227 -7.1516 -7.1516 -6.6670 -6.6670 4.7833 4.7833 5.3523 5.3523 6.2462 6.2462 6.4837 6.4837 7.3640 7.3640 7.6730 7.6730 7.7950 7.7950 8.7701 8.7701 8.9468 8.9468 9.2718 9.2718 9.3750 9.3750 10.8214 10.8214 11.4697 11.4697 11.6334 11.6334 13.7484 13.7484 14.3928 14.3928 14.6774 14.6774 20.2450 20.2450 k = 0.3000-0.5752-0.3454 ( 2356 PWs) bands (ev): -66.4734 -66.4734 -37.0639 -37.0639 -33.1993 -33.1993 -33.1228 -33.1228 -7.1286 -7.1286 -6.6724 -6.6724 4.8161 4.8161 5.3500 5.3500 6.2601 6.2601 6.4252 6.4252 7.3470 7.3470 7.6341 7.6341 7.7651 7.7651 8.8080 8.8080 8.9811 8.9811 9.2960 9.2960 9.4110 9.4110 10.8255 10.8255 11.4869 11.4869 11.6518 11.6518 13.7518 13.7518 14.3914 14.3914 14.6883 14.6883 20.2838 20.2838 k = 0.3083-0.5912-0.3550 ( 2357 PWs) bands (ev): -66.4731 -66.4731 -37.0651 -37.0651 -33.2024 -33.2024 -33.1228 -33.1228 -7.1061 -7.1061 -6.6776 -6.6776 4.8481 4.8481 5.3482 5.3482 6.2726 6.2726 6.3705 6.3705 7.3294 7.3294 7.5945 7.5945 7.7363 7.7363 8.8441 8.8441 9.0146 9.0146 9.3202 9.3202 9.4508 9.4508 10.8301 10.8301 11.5016 11.5016 11.6696 11.6696 13.7576 13.7576 14.3907 14.3907 14.6985 14.6985 20.2961 20.2961 k = 0.3167-0.6071-0.3646 ( 2362 PWs) bands (ev): -66.4727 -66.4727 -37.0663 -37.0663 -33.2055 -33.2055 -33.1228 -33.1228 -7.0842 -7.0842 -6.6824 -6.6824 4.8790 4.8790 5.3466 5.3466 6.2805 6.2805 6.3233 6.3233 7.3112 7.3112 7.5543 7.5543 7.7087 7.7087 8.8783 8.8783 9.0465 9.0465 9.3444 9.3444 9.4946 9.4946 10.8352 10.8352 11.5135 11.5135 11.6872 11.6872 13.7655 13.7655 14.3907 14.3907 14.7081 14.7081 20.2747 20.2747 k = 0.3250-0.6231-0.3742 ( 2360 PWs) bands (ev): -66.4724 -66.4724 -37.0675 -37.0675 -33.2085 -33.2085 -33.1228 -33.1228 -7.0630 -7.0630 -6.6869 -6.6869 4.9088 4.9088 5.3451 5.3451 6.2598 6.2598 6.3081 6.3081 7.2922 7.2922 7.5141 7.5141 7.6823 7.6823 8.9105 8.9105 9.0764 9.0764 9.3684 9.3684 9.5424 9.5424 10.8411 10.8411 11.5227 11.5227 11.7044 11.7044 13.7756 13.7756 14.3914 14.3914 14.7173 14.7173 20.2185 20.2185 k = 0.3333-0.6391-0.3838 ( 2357 PWs) bands (ev): -66.4721 -66.4721 -37.0686 -37.0686 -33.2114 -33.2114 -33.1228 -33.1228 -7.0425 -7.0425 -6.6910 -6.6910 4.9371 4.9371 5.3435 5.3435 6.2199 6.2199 6.3160 6.3160 7.2720 7.2720 7.4743 7.4743 7.6574 7.6574 8.9408 8.9408 9.1042 9.1042 9.3922 9.3922 9.5937 9.5937 10.8479 10.8479 11.5292 11.5292 11.7212 11.7212 13.7876 13.7876 14.3927 14.3927 14.7262 14.7262 20.1328 20.1328 k = 0.3417-0.6551-0.3934 ( 2358 PWs) bands (ev): -66.4718 -66.4718 -37.0697 -37.0697 -33.2143 -33.2143 -33.1228 -33.1228 -7.0228 -7.0228 -6.6947 -6.6947 4.9638 4.9638 5.3416 5.3416 6.1821 6.1821 6.3260 6.3260 7.2502 7.2502 7.4355 7.4355 7.6338 7.6338 8.9690 8.9690 9.1296 9.1296 9.4159 9.4159 9.6479 9.6479 10.8558 10.8558 11.5331 11.5331 11.7375 11.7375 13.8012 13.8012 14.3945 14.3945 14.7349 14.7349 20.0250 20.0250 k = 0.3500-0.6710-0.4030 ( 2361 PWs) bands (ev): -66.4715 -66.4715 -37.0708 -37.0708 -33.2170 -33.2170 -33.1228 -33.1228 -7.0042 -7.0042 -6.6978 -6.6978 4.9885 4.9885 5.3394 5.3394 6.1490 6.1490 6.3358 6.3358 7.2261 7.2261 7.3985 7.3985 7.6116 7.6116 8.9952 8.9952 9.1529 9.1529 9.4395 9.4395 9.7041 9.7041 10.8648 10.8648 11.5345 11.5345 11.7530 11.7530 13.8162 13.8162 14.3968 14.3968 14.7435 14.7435 19.9020 19.9020 k = 0.3583-0.6870-0.4125 ( 2361 PWs) bands (ev): -66.4712 -66.4712 -37.0718 -37.0718 -33.2197 -33.2197 -33.1229 -33.1229 -6.9866 -6.9866 -6.7004 -6.7004 5.0109 5.0109 5.3369 5.3369 6.1215 6.1215 6.3450 6.3450 7.1990 7.1990 7.3644 7.3644 7.5908 7.5908 9.0194 9.0194 9.1744 9.1744 9.4630 9.4630 9.7615 9.7615 10.8753 10.8753 11.5338 11.5338 11.7675 11.7675 13.8325 13.8325 14.3997 14.3997 14.7523 14.7523 19.7691 19.7691 k = 0.3667-0.7030-0.4221 ( 2358 PWs) bands (ev): -66.4709 -66.4709 -37.0728 -37.0728 -33.2222 -33.2222 -33.1229 -33.1229 -6.9701 -6.9701 -6.7024 -6.7024 5.0307 5.0307 5.3342 5.3342 6.0997 6.0997 6.3536 6.3536 7.1683 7.1683 7.3340 7.3340 7.5714 7.5714 9.0416 9.0416 9.1943 9.1943 9.4864 9.4864 9.8191 9.8191 10.8875 10.8875 11.5312 11.5312 11.7809 11.7809 13.8498 13.8498 14.4028 14.4028 14.7614 14.7614 19.6303 19.6303 k = 0.3750-0.7190-0.4317 ( 2356 PWs) bands (ev): -66.4706 -66.4706 -37.0737 -37.0737 -33.2246 -33.2246 -33.1229 -33.1229 -6.9549 -6.9549 -6.7037 -6.7037 5.0475 5.0475 5.3316 5.3316 6.0839 6.0839 6.3616 6.3616 7.1338 7.1338 7.3075 7.3075 7.5533 7.5533 9.0616 9.0616 9.2130 9.2130 9.5095 9.5095 9.8760 9.8760 10.9014 10.9014 11.5268 11.5268 11.7930 11.7930 13.8678 13.8678 14.4062 14.4062 14.7708 14.7708 19.4888 19.4888 k = 0.3833-0.7350-0.4413 ( 2355 PWs) bands (ev): -66.4704 -66.4704 -37.0746 -37.0746 -33.2269 -33.2269 -33.1229 -33.1229 -6.9411 -6.9411 -6.7043 -6.7043 5.0609 5.0609 5.3295 5.3295 6.0739 6.0739 6.3689 6.3689 7.0959 7.0959 7.2848 7.2848 7.5365 7.5365 9.0796 9.0796 9.2306 9.2306 9.5323 9.5323 9.9313 9.9313 10.9174 10.9174 11.5211 11.5211 11.8035 11.8035 13.8863 13.8863 14.4099 14.4099 14.7808 14.7808 19.3471 19.3471 k = 0.3917-0.7509-0.4509 ( 2357 PWs) bands (ev): -66.4701 -66.4701 -37.0755 -37.0755 -33.2290 -33.2290 -33.1229 -33.1229 -6.9286 -6.9286 -6.7043 -6.7043 5.0706 5.0706 5.3283 5.3283 6.0696 6.0696 6.3755 6.3755 7.0553 7.0553 7.2653 7.2653 7.5211 7.5211 9.0953 9.0953 9.2473 9.2473 9.5547 9.5547 9.9842 9.9842 10.9354 10.9354 11.5141 11.5141 11.8123 11.8123 13.9050 13.9050 14.4137 14.4137 14.7913 14.7913 19.2070 19.2070 k = 0.4000-0.7669-0.4605 ( 2359 PWs) bands (ev): -66.4699 -66.4699 -37.0762 -37.0762 -33.2310 -33.2310 -33.1229 -33.1229 -6.9176 -6.9176 -6.7035 -6.7035 5.0764 5.0764 5.3284 5.3284 6.0706 6.0706 6.3815 6.3815 7.0128 7.0128 7.2486 7.2486 7.5069 7.5069 9.1091 9.1091 9.2631 9.2631 9.5766 9.5766 10.0341 10.0341 10.9556 10.9556 11.5062 11.5062 11.8193 11.8193 13.9236 13.9236 14.4176 14.4176 14.8025 14.8025 19.0703 19.0703 k = 0.4083-0.7829-0.4701 ( 2355 PWs) bands (ev): -66.4697 -66.4697 -37.0770 -37.0770 -33.2329 -33.2329 -33.1229 -33.1229 -6.9079 -6.9079 -6.7021 -6.7021 5.0786 5.0786 5.3301 5.3301 6.0766 6.0766 6.3868 6.3868 6.9693 6.9693 7.2341 7.2341 7.4940 7.4940 9.1210 9.1210 9.2783 9.2783 9.5977 9.5977 10.0803 10.0803 10.9781 10.9781 11.4976 11.4976 11.8244 11.8244 13.9419 13.9419 14.4215 14.4215 14.8142 14.8142 18.9384 18.9384 k = 0.4167-0.7989-0.4797 ( 2357 PWs) bands (ev): -66.4695 -66.4695 -37.0777 -37.0777 -33.2346 -33.2346 -33.1229 -33.1229 -6.8997 -6.8997 -6.7002 -6.7002 5.0775 5.0775 5.3332 5.3332 6.0869 6.0869 6.3915 6.3915 6.9251 6.9251 7.2215 7.2215 7.4823 7.4823 9.1311 9.1311 9.2925 9.2925 9.6178 9.6178 10.1225 10.1225 11.0025 11.0025 11.4886 11.4886 11.8276 11.8276 13.9595 13.9595 14.4253 14.4253 14.8266 14.8266 18.8125 18.8125 k = 0.4250-0.8148-0.4893 ( 2357 PWs) bands (ev): -66.4693 -66.4693 -37.0783 -37.0783 -33.2362 -33.2362 -33.1229 -33.1229 -6.8928 -6.8928 -6.6978 -6.6978 5.0738 5.0738 5.3376 5.3376 6.1011 6.1011 6.3956 6.3956 6.8808 6.8808 7.2105 7.2105 7.4718 7.4718 9.1397 9.1397 9.3058 9.3058 9.6369 9.6369 10.1602 10.1602 11.0285 11.0285 11.4793 11.4793 11.8290 11.8290 13.9763 13.9763 14.4290 14.4290 14.8393 14.8393 18.6941 18.6941 k = 0.4333-0.8308-0.4989 ( 2359 PWs) bands (ev): -66.4692 -66.4692 -37.0788 -37.0788 -33.2376 -33.2376 -33.1229 -33.1229 -6.8870 -6.8870 -6.6951 -6.6951 5.0683 5.0683 5.3427 5.3427 6.1186 6.1186 6.3992 6.3992 6.8371 6.8371 7.2009 7.2009 7.4624 7.4624 9.1468 9.1468 9.3180 9.3180 9.6546 9.6546 10.1934 10.1934 11.0558 11.0558 11.4700 11.4700 11.8286 11.8286 13.9920 13.9920 14.4324 14.4324 14.8523 14.8523 18.5841 18.5841 k = 0.4417-0.8468-0.5085 ( 2357 PWs) bands (ev): -66.4690 -66.4690 -37.0793 -37.0793 -33.2389 -33.2389 -33.1229 -33.1229 -6.8824 -6.8824 -6.6922 -6.6922 5.0616 5.0616 5.3482 5.3482 6.1386 6.1386 6.4021 6.4021 6.7943 6.7943 7.1926 7.1926 7.4543 7.4543 9.1527 9.1527 9.3292 9.3292 9.6709 9.6709 10.2221 10.2221 11.0835 11.0835 11.4610 11.4610 11.8267 11.8267 14.0064 14.0064 14.4357 14.4357 14.8652 14.8652 18.4836 18.4836 k = 0.4500-0.8628-0.5181 ( 2356 PWs) bands (ev): -66.4689 -66.4689 -37.0798 -37.0798 -33.2400 -33.2400 -33.1229 -33.1229 -6.8787 -6.8787 -6.6894 -6.6894 5.0546 5.0546 5.3538 5.3538 6.1607 6.1607 6.4045 6.4045 6.7531 6.7531 7.1854 7.1854 7.4473 7.4473 9.1575 9.1575 9.3391 9.3391 9.6855 9.6855 10.2463 10.2463 11.1108 11.1108 11.4524 11.4524 11.8235 11.8235 14.0192 14.0192 14.4386 14.4386 14.8777 14.8777 18.3939 18.3939 k = 0.4583-0.8788-0.5277 ( 2358 PWs) bands (ev): -66.4688 -66.4688 -37.0801 -37.0801 -33.2409 -33.2409 -33.1229 -33.1229 -6.8758 -6.8758 -6.6866 -6.6866 5.0477 5.0477 5.3589 5.3589 6.1837 6.1837 6.4063 6.4063 6.7141 6.7141 7.1795 7.1795 7.4414 7.4414 9.1613 9.1613 9.3476 9.3476 9.6981 9.6981 10.2662 10.2662 11.1369 11.1369 11.4443 11.4443 11.8194 11.8194 14.0304 14.0304 14.4412 14.4412 14.8893 14.8893 18.3158 18.3158 k = 0.4667-0.8947-0.5373 ( 2362 PWs) bands (ev): -66.4687 -66.4687 -37.0805 -37.0805 -33.2417 -33.2417 -33.1229 -33.1229 -6.8736 -6.8736 -6.6842 -6.6842 5.0415 5.0415 5.3634 5.3634 6.2068 6.2068 6.4076 6.4076 6.6784 6.6784 7.1746 7.1746 7.4366 7.4366 9.1643 9.1643 9.3547 9.3547 9.7088 9.7088 10.2821 10.2821 11.1604 11.1604 11.4371 11.4371 11.8149 11.8149 14.0398 14.0398 14.4433 14.4433 14.8997 14.8997 18.2504 18.2504 k = 0.4750-0.9107-0.5469 ( 2362 PWs) bands (ev): -66.4687 -66.4687 -37.0807 -37.0807 -33.2423 -33.2423 -33.1229 -33.1229 -6.8720 -6.8720 -6.6822 -6.6822 5.0363 5.0363 5.3672 5.3672 6.2284 6.2284 6.4083 6.4083 6.6473 6.6473 7.1709 7.1709 7.4328 7.4328 9.1666 9.1666 9.3603 9.3603 9.7172 9.7172 10.2942 10.2942 11.1806 11.1806 11.4310 11.4310 11.8106 11.8106 14.0471 14.0471 14.4450 14.4450 14.9083 14.9083 18.1986 18.1986 k = 0.4833-0.9267-0.5565 ( 2370 PWs) bands (ev): -66.4687 -66.4687 -37.0809 -37.0809 -33.2428 -33.2428 -33.1229 -33.1229 -6.8709 -6.8709 -6.6807 -6.6807 5.0324 5.0324 5.3699 5.3699 6.2467 6.2467 6.4084 6.4084 6.6226 6.6226 7.1682 7.1682 7.4302 7.4302 9.1680 9.1680 9.3642 9.3642 9.7232 9.7232 10.3026 10.3026 11.1960 11.1960 11.4263 11.4263 11.8069 11.8069 14.0524 14.0524 14.4463 14.4463 14.9149 14.9149 18.1609 18.1609 k = 0.4917-0.9427-0.5661 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -6.8703 -6.8703 -6.6798 -6.6798 5.0300 5.0300 5.3716 5.3716 6.2593 6.2593 6.4083 6.4083 6.6064 6.6064 7.1666 7.1666 7.4286 7.4286 9.1689 9.1689 9.3666 9.3666 9.7269 9.7269 10.3076 10.3076 11.2058 11.2058 11.4232 11.4232 11.8046 11.8046 14.0557 14.0557 14.4470 14.4470 14.9189 14.9189 18.1381 18.1381 k = 0.5000-0.9586-0.5756 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8700 -6.8700 -6.6795 -6.6795 5.0293 5.0293 5.3721 5.3721 6.2638 6.2638 6.4082 6.4082 6.6008 6.6008 7.1661 7.1661 7.4280 7.4280 9.1693 9.1693 9.3674 9.3674 9.7281 9.7281 10.3092 10.3092 11.2090 11.2090 11.4222 11.4222 11.8037 11.8037 14.0567 14.0567 14.4472 14.4472 14.9203 14.9203 18.1305 18.1305 k = 0.5000-0.9586-0.5756 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8700 -6.8700 -6.6795 -6.6795 5.0293 5.0293 5.3721 5.3721 6.2638 6.2638 6.4082 6.4082 6.6008 6.6008 7.1661 7.1661 7.4280 7.4280 9.1693 9.1693 9.3674 9.3674 9.7281 9.7281 10.3092 10.3092 11.2090 11.2090 11.4222 11.4222 11.8037 11.8037 14.0567 14.0567 14.4472 14.4472 14.9203 14.9203 18.1305 18.1305 k = 0.5000-0.9481-0.5932 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1230 -33.1230 -6.8697 -6.8697 -6.6797 -6.6797 5.0305 5.0305 5.3720 5.3720 6.2560 6.2560 6.4160 6.4160 6.6012 6.6012 7.1671 7.1671 7.4263 7.4263 9.1692 9.1692 9.3658 9.3658 9.7248 9.7248 10.3131 10.3131 11.2050 11.2050 11.4259 11.4259 11.8037 11.8037 14.0568 14.0568 14.4455 14.4455 14.9234 14.9234 18.1326 18.1326 k = 0.5000-0.9376-0.6107 ( 2366 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1231 -33.1231 -6.8687 -6.8687 -6.6801 -6.6801 5.0344 5.0344 5.3717 5.3717 6.2363 6.2363 6.4356 6.4356 6.6026 6.6026 7.1701 7.1701 7.4214 7.4214 9.1690 9.1690 9.3611 9.3611 9.7153 9.7153 10.3241 10.3241 11.1934 11.1934 11.4362 11.4362 11.8035 11.8035 14.0571 14.0571 14.4406 14.4406 14.9328 14.9328 18.1388 18.1388 k = 0.5000-0.9270-0.6283 ( 2366 PWs) bands (ev): -66.4686 -66.4686 -37.0811 -37.0811 -33.2430 -33.2430 -33.1233 -33.1233 -6.8671 -6.8671 -6.6809 -6.6809 5.0408 5.0408 5.3711 5.3711 6.2104 6.2104 6.4612 6.4612 6.6048 6.6048 7.1746 7.1746 7.4135 7.4135 9.1684 9.1684 9.3532 9.3532 9.7004 9.7004 10.3416 10.3416 11.1761 11.1761 11.4513 11.4513 11.8033 11.8033 14.0575 14.0575 14.4325 14.4325 14.9485 14.9485 18.1492 18.1492 k = 0.5000-0.9165-0.6458 ( 2362 PWs) bands (ev): -66.4685 -66.4685 -37.0812 -37.0812 -33.2430 -33.2430 -33.1236 -33.1236 -6.8647 -6.8647 -6.6821 -6.6821 5.0497 5.0497 5.3703 5.3703 6.1817 6.1817 6.4896 6.4896 6.6081 6.6081 7.1802 7.1802 7.4034 7.4034 9.1675 9.1675 9.3425 9.3425 9.6812 9.6812 10.3642 10.3642 11.1547 11.1547 11.4696 11.4696 11.8032 11.8032 14.0580 14.0580 14.4213 14.4213 14.9703 14.9703 18.1634 18.1634 k = 0.5000-0.9060-0.6634 ( 2356 PWs) bands (ev): -66.4685 -66.4685 -37.0812 -37.0812 -33.2429 -33.2429 -33.1239 -33.1239 -6.8618 -6.8618 -6.6835 -6.6835 5.0612 5.0612 5.3693 5.3693 6.1518 6.1518 6.5187 6.5187 6.6126 6.6126 7.1857 7.1857 7.3921 7.3921 9.1658 9.1658 9.3294 9.3294 9.6587 9.6587 10.3910 10.3910 11.1304 11.1304 11.4898 11.4898 11.8031 11.8031 14.0586 14.0586 14.4074 14.4074 14.9982 14.9982 18.1813 18.1813 k = 0.5000-0.8954-0.6809 ( 2358 PWs) bands (ev): -66.4685 -66.4685 -37.0814 -37.0814 -33.2428 -33.2428 -33.1243 -33.1243 -6.8582 -6.8582 -6.6852 -6.6852 5.0751 5.0751 5.3681 5.3681 6.1216 6.1216 6.5474 6.5474 6.6185 6.6185 7.1894 7.1894 7.3814 7.3814 9.1631 9.1631 9.3142 9.3142 9.6339 9.6339 10.4205 10.4205 11.1041 11.1041 11.5109 11.5109 11.8032 11.8032 14.0593 14.0593 14.3908 14.3908 15.0320 15.0320 18.2027 18.2027 k = 0.5000-0.8849-0.6985 ( 2360 PWs) bands (ev): -66.4684 -66.4684 -37.0815 -37.0815 -33.2428 -33.2428 -33.1248 -33.1248 -6.8541 -6.8541 -6.6873 -6.6873 5.0915 5.0915 5.3666 5.3666 6.0916 6.0916 6.5743 6.5743 6.6270 6.6270 7.1886 7.1886 7.3741 7.3741 9.1586 9.1586 9.2978 9.2978 9.6079 9.6079 10.4518 10.4518 11.0763 11.0763 11.5323 11.5323 11.8036 11.8036 14.0601 14.0601 14.3719 14.3719 15.0718 15.0718 18.2273 18.2273 k = 0.5000-0.8743-0.7160 ( 2360 PWs) bands (ev): -66.4684 -66.4684 -37.0816 -37.0816 -33.2427 -33.2427 -33.1254 -33.1254 -6.8493 -6.8493 -6.6896 -6.6896 5.1103 5.1103 5.3648 5.3648 6.0622 6.0622 6.5969 6.5969 6.6400 6.6400 7.1806 7.1806 7.3730 7.3730 9.1517 9.1517 9.2811 9.2811 9.5812 9.5812 10.4843 10.4843 11.0474 11.0474 11.5537 11.5537 11.8045 11.8045 14.0608 14.0608 14.3512 14.3512 15.1172 15.1172 18.2547 18.2547 k = 0.5000-0.8638-0.7336 ( 2364 PWs) bands (ev): -66.4684 -66.4684 -37.0818 -37.0818 -33.2426 -33.2426 -33.1260 -33.1260 -6.8440 -6.8440 -6.6923 -6.6923 5.1314 5.1314 5.3627 5.3627 6.0334 6.0334 6.6132 6.6132 6.6595 6.6595 7.1637 7.1637 7.3798 7.3798 9.1413 9.1413 9.2653 9.2653 9.5543 9.5543 10.5170 10.5170 11.0175 11.0175 11.5745 11.5745 11.8061 11.8061 14.0614 14.0614 14.3288 14.3288 15.1682 15.1682 18.2845 18.2845 k = 0.5000-0.8533-0.7511 ( 2366 PWs) bands (ev): -66.4683 -66.4683 -37.0820 -37.0820 -33.2425 -33.2425 -33.1266 -33.1266 -6.8382 -6.8382 -6.6952 -6.6952 5.1548 5.1548 5.3604 5.3604 6.0057 6.0057 6.6246 6.6246 6.6837 6.6837 7.1384 7.1384 7.3942 7.3942 9.1266 9.1266 9.2513 9.2513 9.5279 9.5279 10.5495 10.5495 10.9871 10.9871 11.5946 11.5946 11.8087 11.8087 14.0620 14.0620 14.3052 14.3052 15.2246 15.2246 18.3165 18.3165 k = 0.5000-0.8427-0.7687 ( 2356 PWs) bands (ev): -66.4682 -66.4682 -37.0822 -37.0822 -33.2424 -33.2424 -33.1273 -33.1273 -6.8318 -6.8318 -6.6983 -6.6983 5.1805 5.1805 5.3578 5.3578 5.9791 5.9791 6.6340 6.6340 6.7098 6.7098 7.1066 7.1066 7.4149 7.4149 9.1073 9.1073 9.2395 9.2395 9.5023 9.5023 10.5813 10.5813 10.9561 10.9561 11.6136 11.6136 11.8127 11.8127 14.0625 14.0625 14.2810 14.2810 15.2862 15.2862 18.3501 18.3501 k = 0.5000-0.8322-0.7862 ( 2354 PWs) bands (ev): -66.4681 -66.4681 -37.0824 -37.0824 -33.2423 -33.2423 -33.1281 -33.1281 -6.8250 -6.8250 -6.7017 -6.7017 5.2082 5.2082 5.3550 5.3550 5.9536 5.9536 6.6426 6.6426 6.7362 6.7362 7.0696 7.0696 7.4401 7.4401 9.0837 9.0837 9.2295 9.2295 9.4779 9.4779 10.6121 10.6121 10.9247 10.9247 11.6311 11.6311 11.8181 11.8181 14.0627 14.0627 14.2564 14.2564 15.3528 15.3528 18.3850 18.3850 k = 0.5000-0.8217-0.8038 ( 2354 PWs) bands (ev): -66.4681 -66.4681 -37.0826 -37.0826 -33.2421 -33.2421 -33.1289 -33.1289 -6.8177 -6.8177 -6.7053 -6.7053 5.2379 5.2379 5.3518 5.3518 5.9295 5.9295 6.6507 6.6507 6.7620 6.7620 7.0293 7.0293 7.4688 7.4688 9.0566 9.0566 9.2203 9.2203 9.4551 9.4551 10.6414 10.6414 10.8929 10.8929 11.6468 11.6468 11.8253 11.8253 14.0625 14.0625 14.2318 14.2318 15.4242 15.4242 18.4207 18.4207 k = 0.5000-0.8111-0.8213 ( 2352 PWs) bands (ev): -66.4680 -66.4680 -37.0828 -37.0828 -33.2420 -33.2420 -33.1297 -33.1297 -6.8101 -6.8101 -6.7092 -6.7092 5.2694 5.2694 5.3485 5.3485 5.9068 5.9068 6.6582 6.6582 6.7867 6.7867 6.9873 6.9873 7.5002 7.5002 9.0270 9.0270 9.2108 9.2108 9.4345 9.4345 10.6689 10.6689 10.8610 10.8610 11.6606 11.6606 11.8346 11.8346 14.0619 14.0619 14.2078 14.2078 15.5002 15.5002 18.4567 18.4567 k = 0.5000-0.8006-0.8389 ( 2350 PWs) bands (ev): -66.4679 -66.4679 -37.0830 -37.0830 -33.2419 -33.2419 -33.1305 -33.1305 -6.8021 -6.8021 -6.7132 -6.7132 5.3020 5.3020 5.3455 5.3455 5.8856 5.8856 6.6647 6.6647 6.8088 6.8088 6.9461 6.9461 7.5338 7.5338 8.9954 8.9954 9.2003 9.2003 9.4164 9.4164 10.6945 10.6945 10.8290 10.8290 11.6725 11.6725 11.8458 11.8458 14.0607 14.0607 14.1850 14.1850 15.5807 15.5807 18.4926 18.4926 k = 0.5000-0.7901-0.8564 ( 2354 PWs) bands (ev): -66.4679 -66.4679 -37.0833 -37.0833 -33.2419 -33.2419 -33.1313 -33.1313 -6.7939 -6.7939 -6.7173 -6.7173 5.3301 5.3301 5.3483 5.3483 5.8660 5.8660 6.6688 6.6688 6.8238 6.8238 6.9119 6.9119 7.5689 7.5689 8.9624 8.9624 9.1878 9.1878 9.4011 9.4011 10.7175 10.7175 10.7974 10.7974 11.6825 11.6825 11.8589 11.8589 14.0585 14.0585 14.1638 14.1638 15.6654 15.6654 18.5276 18.5276 k = 0.5000-0.7795-0.8739 ( 2356 PWs) bands (ev): -66.4678 -66.4678 -37.0835 -37.0835 -33.2418 -33.2418 -33.1322 -33.1322 -6.7855 -6.7855 -6.7216 -6.7216 5.3325 5.3325 5.3780 5.3780 5.8480 5.8480 6.6680 6.6680 6.8198 6.8198 6.8999 6.8999 7.6053 7.6053 8.9287 8.9287 9.1731 9.1731 9.3888 9.3888 10.7359 10.7359 10.7683 10.7683 11.6909 11.6909 11.8738 11.8738 14.0550 14.0550 14.1450 14.1450 15.7541 15.7541 18.5612 18.5612 k = 0.5000-0.7690-0.8915 ( 2356 PWs) bands (ev): -66.4677 -66.4677 -37.0838 -37.0838 -33.2417 -33.2417 -33.1330 -33.1330 -6.7770 -6.7770 -6.7258 -6.7258 5.3284 5.3284 5.4153 5.4153 5.8316 5.8316 6.6576 6.6576 6.8005 6.8005 6.9113 6.9113 7.6427 7.6427 8.8943 8.8943 9.1562 9.1562 9.3794 9.3794 10.7267 10.7267 10.7646 10.7646 11.6980 11.6980 11.8899 11.8899 14.0498 14.0498 14.1291 14.1291 15.8468 15.8468 18.5927 18.5927 k = 0.5000-0.7584-0.9090 ( 2354 PWs) bands (ev): -66.4676 -66.4676 -37.0840 -37.0840 -33.2417 -33.2417 -33.1338 -33.1338 -6.7687 -6.7687 -6.7298 -6.7298 5.3233 5.3233 5.4543 5.4543 5.8171 5.8171 6.6329 6.6329 6.7863 6.7863 6.9307 6.9307 7.6807 7.6807 8.8598 8.8598 9.1372 9.1372 9.3725 9.3725 10.6970 10.6970 10.7795 10.7795 11.7041 11.7041 11.9070 11.9070 14.0428 14.0428 14.1168 14.1168 15.9431 15.9431 18.6212 18.6212 k = 0.5000-0.7479-0.9266 ( 2352 PWs) bands (ev): -66.4675 -66.4675 -37.0843 -37.0843 -33.2416 -33.2416 -33.1346 -33.1346 -6.7612 -6.7612 -6.7330 -6.7330 5.3176 5.3176 5.4944 5.4944 5.8042 5.8042 6.5951 6.5951 6.7827 6.7827 6.9522 6.9522 7.7192 7.7192 8.8252 8.8252 9.1166 9.1166 9.3675 9.3675 10.6658 10.6658 10.7939 10.7939 11.7094 11.7094 11.9247 11.9247 14.0343 14.0343 14.1078 14.1078 16.0430 16.0430 18.6456 18.6456 k = 0.5000-0.7374-0.9441 ( 2360 PWs) bands (ev): -66.4675 -66.4675 -37.0846 -37.0846 -33.2416 -33.2416 -33.1354 -33.1354 -6.7561 -6.7561 -6.7339 -6.7339 5.3116 5.3116 5.5352 5.5352 5.7932 5.7932 6.5491 6.5491 6.7862 6.7862 6.9742 6.9742 7.7576 7.7576 8.7906 8.7906 9.0946 9.0946 9.3640 9.3640 10.6346 10.6346 10.8066 10.8066 11.7139 11.7139 11.9426 11.9426 14.0250 14.0250 14.1015 14.1015 16.1462 16.1462 18.6646 18.6646 k = 0.5000-0.7268-0.9617 ( 2362 PWs) bands (ev): -66.4674 -66.4674 -37.0848 -37.0848 -33.2416 -33.2416 -33.1362 -33.1362 -6.7553 -6.7553 -6.7305 -6.7305 5.3051 5.3051 5.5761 5.5761 5.7841 5.7841 6.4994 6.4994 6.7937 6.7937 6.9959 6.9959 7.7959 7.7959 8.7566 8.7566 9.0718 9.0718 9.3615 9.3615 10.6039 10.6039 10.8174 10.8174 11.7180 11.7180 11.9606 11.9606 14.0161 14.0161 14.0971 14.0971 16.2527 16.2527 18.6767 18.6767 k = 0.5000-0.7163-0.9792 ( 2362 PWs) bands (ev): -66.4673 -66.4673 -37.0850 -37.0850 -33.2416 -33.2416 -33.1369 -33.1369 -6.7580 -6.7580 -6.7237 -6.7237 5.2983 5.2983 5.6168 5.6168 5.7769 5.7769 6.4485 6.4485 6.8034 6.8034 7.0174 7.0174 7.8338 7.8338 8.7231 8.7231 9.0486 9.0486 9.3597 9.3597 10.5738 10.5738 10.8264 10.8264 11.7216 11.7216 11.9785 11.9785 14.0083 14.0083 14.0940 14.0940 16.3623 16.3623 18.6799 18.6799 k = 0.5000-0.7058-0.9968 ( 2358 PWs) bands (ev): -66.4673 -66.4673 -37.0853 -37.0853 -33.2417 -33.2417 -33.1376 -33.1376 -6.7622 -6.7622 -6.7155 -6.7155 5.2911 5.2911 5.6563 5.6563 5.7720 5.7720 6.3982 6.3982 6.8143 6.8143 7.0384 7.0384 7.8709 7.8709 8.6906 8.6906 9.0251 9.0251 9.3582 9.3582 10.5446 10.5446 10.8338 10.8338 11.7246 11.7246 11.9961 11.9961 14.0023 14.0023 14.0918 14.0918 16.4749 16.4749 18.6720 18.6720 k = 0.5000-0.6952-1.0143 ( 2350 PWs) bands (ev): -66.4672 -66.4672 -37.0855 -37.0855 -33.2417 -33.2417 -33.1382 -33.1382 -6.7670 -6.7670 -6.7069 -6.7069 5.2837 5.2837 5.6932 5.6932 5.7699 5.7699 6.3497 6.3497 6.8259 6.8259 7.0588 7.0588 7.9071 7.9071 8.6592 8.6592 9.0017 9.0017 9.3567 9.3567 10.5165 10.5165 10.8397 10.8397 11.7271 11.7271 12.0131 12.0131 13.9985 13.9985 14.0900 14.0900 16.5903 16.5903 18.6505 18.6505 k = 0.5000-0.6847-1.0319 ( 2350 PWs) bands (ev): -66.4671 -66.4671 -37.0857 -37.0857 -33.2417 -33.2417 -33.1387 -33.1387 -6.7721 -6.7721 -6.6982 -6.6982 5.2758 5.2758 5.7242 5.7242 5.7727 5.7727 6.3046 6.3046 6.8378 6.8378 7.0786 7.0786 7.9418 7.9418 8.6292 8.6292 8.9784 8.9784 9.3549 9.3549 10.4894 10.4894 10.8442 10.8442 11.7290 11.7290 12.0294 12.0294 13.9968 13.9968 14.0885 14.0885 16.7083 16.7083 18.6129 18.6129 k = 0.5000-0.6741-1.0494 ( 2352 PWs) bands (ev): -66.4670 -66.4670 -37.0859 -37.0859 -33.2418 -33.2418 -33.1392 -33.1392 -6.7773 -6.7773 -6.6896 -6.6896 5.2677 5.2677 5.7434 5.7434 5.7845 5.7845 6.2649 6.2649 6.8499 6.8499 7.0976 7.0976 7.9745 7.9745 8.6009 8.6009 8.9554 8.9554 9.3528 9.3528 10.4636 10.4636 10.8477 10.8477 11.7302 11.7302 12.0449 12.0449 13.9976 13.9976 14.0873 14.0873 16.8289 16.8289 18.5570 18.5570 k = 0.5000-0.6636-1.0670 ( 2358 PWs) bands (ev): -66.4670 -66.4670 -37.0861 -37.0861 -33.2419 -33.2419 -33.1397 -33.1397 -6.7826 -6.7826 -6.6813 -6.6813 5.2592 5.2592 5.7517 5.7517 5.8019 5.8019 6.2331 6.2331 6.8619 6.8619 7.1158 7.1158 8.0048 8.0048 8.5747 8.5747 8.9329 8.9329 9.3501 9.3501 10.4393 10.4393 10.8504 10.8504 11.7306 11.7306 12.0594 12.0594 14.0008 14.0008 14.0863 14.0863 16.9518 16.9518 18.4820 18.4820 k = 0.5000-0.6531-1.0845 ( 2356 PWs) bands (ev): -66.4670 -66.4670 -37.0862 -37.0862 -33.2420 -33.2420 -33.1400 -33.1400 -6.7879 -6.7879 -6.6732 -6.6732 5.2504 5.2504 5.7567 5.7567 5.8145 5.8145 6.2123 6.2123 6.8738 6.8738 7.1333 7.1333 8.0323 8.0323 8.5513 8.5513 8.9112 8.9112 9.3469 9.3469 10.4166 10.4166 10.8524 10.8524 11.7302 11.7302 12.0728 12.0728 14.0065 14.0065 14.0854 14.0854 17.0770 17.0770 18.3882 18.3882 k = 0.5000-0.6425-1.1021 ( 2358 PWs) bands (ev): -66.4669 -66.4669 -37.0864 -37.0864 -33.2420 -33.2420 -33.1403 -33.1403 -6.7932 -6.7932 -6.6655 -6.6655 5.2413 5.2413 5.7613 5.7613 5.8169 5.8169 6.2048 6.2048 6.8853 6.8853 7.1499 7.1499 8.0561 8.0561 8.5311 8.5311 8.8902 8.8902 9.3429 9.3429 10.3957 10.3957 10.8541 10.8541 11.7288 11.7288 12.0850 12.0850 14.0143 14.0143 14.0848 14.0848 17.2039 17.2039 18.2774 18.2774 k = 0.5000-0.6320-1.1196 ( 2358 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2421 -33.2421 -33.1406 -33.1406 -6.7985 -6.7985 -6.6583 -6.6583 5.2319 5.2319 5.7653 5.7653 5.8093 5.8093 6.2110 6.2110 6.8964 6.8964 7.1657 7.1657 8.0757 8.0757 8.5147 8.5147 8.8701 8.8701 9.3382 9.3382 10.3768 10.3768 10.8555 10.8555 11.7266 11.7266 12.0959 12.0959 14.0241 14.0241 14.0845 14.0845 17.3322 17.3322 18.1528 18.1528 k = 0.5000-0.6215-1.1372 ( 2356 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2422 -33.2422 -33.1408 -33.1408 -6.8036 -6.8036 -6.6515 -6.6515 5.2222 5.2222 5.7635 5.7635 5.7988 5.7988 6.2287 6.2287 6.9069 6.9069 7.1806 7.1806 8.0904 8.0904 8.5027 8.5027 8.8511 8.8511 9.3327 9.3327 10.3598 10.3598 10.8570 10.8570 11.7234 11.7234 12.1053 12.1053 14.0353 14.0353 14.0847 14.0847 17.4603 17.4603 18.0187 18.0187 k = 0.5000-0.6109-1.1547 ( 2360 PWs) bands (ev): -66.4669 -66.4669 -37.0866 -37.0866 -33.2422 -33.2422 -33.1409 -33.1409 -6.8087 -6.8087 -6.6454 -6.6454 5.2121 5.2121 5.7457 5.7457 5.7987 5.7987 6.2545 6.2545 6.9166 6.9166 7.1945 7.1945 8.0997 8.0997 8.4954 8.4954 8.8333 8.8333 9.3265 9.3265 10.3450 10.3450 10.8586 10.8586 11.7191 11.7191 12.1132 12.1132 14.0470 14.0470 14.0861 14.0861 17.5811 17.5811 17.8852 17.8852 k = 0.5000-0.6004-1.1723 ( 2358 PWs) bands (ev): -66.4668 -66.4668 -37.0866 -37.0866 -33.2422 -33.2422 -33.1409 -33.1409 -6.8137 -6.8137 -6.6398 -6.6398 5.2018 5.2018 5.7171 5.7171 5.8071 5.8071 6.2855 6.2855 6.9254 6.9254 7.2075 7.2075 8.1036 8.1036 8.4928 8.4928 8.8167 8.8167 9.3195 9.3195 10.3324 10.3324 10.8605 10.8605 11.7140 11.7140 12.1194 12.1194 14.0575 14.0575 14.0901 14.0901 17.6335 17.6335 17.8163 17.8163 k = 0.5000-0.5899-1.1898 ( 2360 PWs) bands (ev): -66.4669 -66.4669 -37.0866 -37.0866 -33.2422 -33.2422 -33.1409 -33.1409 -6.8185 -6.8185 -6.6350 -6.6350 5.1912 5.1912 5.6846 5.6846 5.8190 5.8190 6.3195 6.3195 6.9333 6.9333 7.2195 7.2195 8.1023 8.1023 8.4945 8.4945 8.8016 8.8016 9.3118 9.3118 10.3221 10.3221 10.8630 10.8630 11.7079 11.7079 12.1239 12.1239 14.0644 14.0644 14.0986 14.0986 17.5242 17.5242 17.9074 17.9074 k = 0.5000-0.5793-1.2073 ( 2358 PWs) bands (ev): -66.4669 -66.4669 -37.0866 -37.0866 -33.2422 -33.2422 -33.1408 -33.1408 -6.8231 -6.8231 -6.6308 -6.6308 5.1803 5.1803 5.6511 5.6511 5.8332 5.8332 6.3549 6.3549 6.9400 6.9400 7.2305 7.2305 8.0967 8.0967 8.4997 8.4997 8.7880 8.7880 9.3035 9.3035 10.3141 10.3141 10.8660 10.8660 11.7008 11.7008 12.1263 12.1263 14.0674 14.0674 14.1114 14.1114 17.3755 17.3755 18.0385 18.0385 k = 0.5000-0.5688-1.2249 ( 2356 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2421 -33.2421 -33.1407 -33.1407 -6.8276 -6.8276 -6.6274 -6.6274 5.1692 5.1692 5.6179 5.6179 5.8493 5.8493 6.3905 6.3905 6.9455 6.9455 7.2405 7.2405 8.0875 8.0875 8.5074 8.5074 8.7761 8.7761 9.2947 9.2947 10.3084 10.3084 10.8698 10.8698 11.6930 11.6930 12.1269 12.1269 14.0682 14.0682 14.1261 14.1261 17.2214 17.2214 18.1773 18.1773 k = 0.8197-0.4904-1.0777 ( 2356 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2421 -33.2421 -33.1407 -33.1407 -6.8276 -6.8276 -6.6274 -6.6274 5.1692 5.1692 5.6179 5.6179 5.8493 5.8493 6.3905 6.3905 6.9455 6.9455 7.2405 7.2405 8.0875 8.0875 8.5074 8.5074 8.7761 8.7761 9.2947 9.2947 10.3084 10.3084 10.8698 10.8698 11.6930 11.6930 12.1269 12.1269 14.0682 14.0682 14.1261 14.1261 17.2214 17.2214 18.1773 18.1773 k = 0.8149-0.4811-1.0603 ( 2354 PWs) bands (ev): -66.4669 -66.4669 -37.0864 -37.0864 -33.2419 -33.2419 -33.1405 -33.1405 -6.8319 -6.8319 -6.6249 -6.6249 5.1578 5.1578 5.5859 5.5859 5.8670 5.8670 6.4256 6.4256 6.9496 6.9496 7.2494 7.2494 8.0757 8.0757 8.5168 8.5168 8.7660 8.7660 9.2856 9.2856 10.3050 10.3050 10.8743 10.8743 11.6845 11.6845 12.1253 12.1253 14.0680 14.0680 14.1408 14.1408 17.0685 17.0685 18.3188 18.3188 k = 0.8100-0.4718-1.0428 ( 2356 PWs) bands (ev): -66.4670 -66.4670 -37.0862 -37.0862 -33.2417 -33.2417 -33.1402 -33.1402 -6.8360 -6.8360 -6.6232 -6.6232 5.1462 5.1462 5.5555 5.5555 5.8864 5.8864 6.4596 6.4596 6.9523 6.9523 7.2573 7.2573 8.0621 8.0621 8.5268 8.5268 8.7577 8.7577 9.2760 9.2760 10.3038 10.3038 10.8796 10.8796 11.6753 11.6753 12.1213 12.1213 14.0672 14.0672 14.1544 14.1544 16.9184 16.9184 18.4628 18.4628 k = 0.8052-0.4625-1.0254 ( 2354 PWs) bands (ev): -66.4670 -66.4670 -37.0860 -37.0860 -33.2415 -33.2415 -33.1399 -33.1399 -6.8398 -6.8398 -6.6224 -6.6224 5.1343 5.1343 5.5270 5.5270 5.9073 5.9073 6.4922 6.4922 6.9535 6.9535 7.2642 7.2642 8.0473 8.0473 8.5372 8.5372 8.7511 8.7511 9.2663 9.2663 10.3047 10.3047 10.8858 10.8858 11.6658 11.6658 12.1151 12.1151 14.0661 14.0661 14.1657 14.1657 16.7731 16.7731 18.6088 18.6088 k = 0.8003-0.4533-1.0079 ( 2344 PWs) bands (ev): -66.4671 -66.4671 -37.0858 -37.0858 -33.2411 -33.2411 -33.1396 -33.1396 -6.8434 -6.8434 -6.6225 -6.6225 5.1224 5.1224 5.5008 5.5008 5.9299 5.9299 6.5230 6.5230 6.9531 6.9531 7.2700 7.2700 8.0320 8.0320 8.5473 8.5473 8.7464 8.7464 9.2565 9.2565 10.3078 10.3078 10.8929 10.8929 11.6559 11.6559 12.1065 12.1065 14.0646 14.0646 14.1738 14.1738 16.6340 16.6340 18.7565 18.7565 k = 0.7955-0.4440-0.9905 ( 2342 PWs) bands (ev): -66.4671 -66.4671 -37.0855 -37.0855 -33.2407 -33.2407 -33.1392 -33.1392 -6.8468 -6.8468 -6.6236 -6.6236 5.1101 5.1101 5.4770 5.4770 5.9539 5.9539 6.5516 6.5516 6.9512 6.9512 7.2748 7.2748 8.0162 8.0162 8.5569 8.5569 8.7434 8.7434 9.2467 9.2467 10.3127 10.3127 10.9007 10.9007 11.6459 11.6459 12.0951 12.0951 14.0628 14.0628 14.1775 14.1775 16.5026 16.5026 18.9059 18.9059 k = 0.7906-0.4347-0.9730 ( 2346 PWs) bands (ev): -66.4672 -66.4672 -37.0852 -37.0852 -33.2402 -33.2402 -33.1388 -33.1388 -6.8499 -6.8499 -6.6257 -6.6257 5.0978 5.0978 5.4558 5.4558 5.9794 5.9794 6.5776 6.5776 6.9479 6.9479 7.2786 7.2786 8.0002 8.0002 8.5659 8.5659 8.7418 8.7418 9.2369 9.2369 10.3194 10.3194 10.9092 10.9092 11.6359 11.6359 12.0809 12.0809 14.0606 14.0606 14.1759 14.1759 16.3804 16.3804 19.0567 19.0567 k = 0.7858-0.4254-0.9556 ( 2348 PWs) bands (ev): -66.4674 -66.4674 -37.0848 -37.0848 -33.2397 -33.2397 -33.1384 -33.1384 -6.8527 -6.8527 -6.6288 -6.6288 5.0854 5.0854 5.4374 5.4374 6.0063 6.0063 6.6009 6.6009 6.9433 6.9433 7.2814 7.2814 7.9844 7.9844 8.5743 8.5743 8.7416 8.7416 9.2272 9.2272 10.3278 10.3278 10.9183 10.9183 11.6261 11.6261 12.0638 12.0638 14.0580 14.0580 14.1680 14.1680 16.2686 16.2686 19.2089 19.2089 k = 0.7810-0.4161-0.9382 ( 2350 PWs) bands (ev): -66.4675 -66.4675 -37.0844 -37.0844 -33.2390 -33.2390 -33.1380 -33.1380 -6.8553 -6.8553 -6.6329 -6.6329 5.0729 5.0729 5.4217 5.4217 6.0346 6.0346 6.6209 6.6209 6.9377 6.9377 7.2831 7.2831 7.9689 7.9689 8.5821 8.5821 8.7425 8.7425 9.2178 9.2178 10.3377 10.3377 10.9279 10.9279 11.6166 11.6166 12.0436 12.0436 14.0546 14.0546 14.1532 14.1532 16.1683 16.1683 19.3625 19.3625 k = 0.7761-0.4068-0.9207 ( 2348 PWs) bands (ev): -66.4676 -66.4676 -37.0839 -37.0839 -33.2382 -33.2382 -33.1375 -33.1375 -6.8576 -6.8576 -6.6381 -6.6381 5.0604 5.0604 5.4091 5.4091 6.0643 6.0643 6.6372 6.6372 6.9314 6.9314 7.2840 7.2840 7.9537 7.9537 8.5895 8.5895 8.7444 8.7444 9.2087 9.2087 10.3489 10.3489 10.9379 10.9379 11.6079 11.6079 12.0202 12.0202 14.0499 14.0499 14.1316 14.1316 16.0806 16.0806 19.5173 19.5173 k = 0.7713-0.3975-0.9033 ( 2344 PWs) bands (ev): -66.4677 -66.4677 -37.0834 -37.0834 -33.2373 -33.2373 -33.1370 -33.1370 -6.8596 -6.8596 -6.6443 -6.6443 5.0480 5.0480 5.3994 5.3994 6.0952 6.0952 6.6495 6.6495 6.9250 6.9250 7.2838 7.2838 7.9390 7.9390 8.5964 8.5964 8.7472 8.7472 9.2000 9.2000 10.3612 10.3612 10.9480 10.9480 11.5998 11.5998 11.9936 11.9936 14.0415 14.0415 14.1051 14.1051 16.0057 16.0057 19.6732 19.6732 k = 0.7664-0.3883-0.8858 ( 2336 PWs) bands (ev): -66.4679 -66.4679 -37.0828 -37.0828 -33.2363 -33.2363 -33.1364 -33.1364 -6.8613 -6.8613 -6.6515 -6.6515 5.0357 5.0357 5.3928 5.3928 6.1274 6.1274 6.6571 6.6571 6.9189 6.9189 7.2827 7.2827 7.9248 7.9248 8.6029 8.6029 8.7506 8.7506 9.1917 9.1917 10.3744 10.3744 10.9581 10.9581 11.5928 11.5928 11.9637 11.9637 14.0228 14.0228 14.0807 14.0807 15.9437 15.9437 19.8302 19.8302 k = 0.7616-0.3790-0.8684 ( 2340 PWs) bands (ev): -66.4681 -66.4681 -37.0822 -37.0822 -33.2353 -33.2353 -33.1359 -33.1359 -6.8627 -6.8627 -6.6599 -6.6599 5.0235 5.0235 5.3892 5.3892 6.1608 6.1608 6.6596 6.6596 6.9136 6.9136 7.2806 7.2806 7.9109 7.9109 8.6089 8.6089 8.7547 8.7547 9.1838 9.1838 10.3881 10.3881 10.9679 10.9679 11.5866 11.5866 11.9305 11.9305 13.9863 13.9863 14.0663 14.0663 15.8940 15.8940 19.9879 19.9879 k = 0.7567-0.3697-0.8509 ( 2338 PWs) bands (ev): -66.4683 -66.4683 -37.0816 -37.0816 -33.2341 -33.2341 -33.1353 -33.1353 -6.8638 -6.8638 -6.6693 -6.6693 5.0115 5.0115 5.3888 5.3888 6.1952 6.1952 6.6567 6.6567 6.9096 6.9096 7.2776 7.2776 7.8976 7.8976 8.6144 8.6144 8.7594 8.7594 9.1766 9.1766 10.4020 10.4020 10.9772 10.9772 11.5812 11.5812 11.8944 11.8944 13.9365 13.9365 14.0590 14.0590 15.8557 15.8557 20.1465 20.1465 k = 0.7519-0.3604-0.8335 ( 2340 PWs) bands (ev): -66.4685 -66.4685 -37.0809 -37.0809 -33.2328 -33.2328 -33.1348 -33.1348 -6.8646 -6.8646 -6.6797 -6.6797 4.9997 4.9997 5.3914 5.3914 6.2307 6.2307 6.6484 6.6484 6.9070 6.9070 7.2736 7.2736 7.8849 7.8849 8.6191 8.6191 8.7647 8.7647 9.1700 9.1700 10.4158 10.4158 10.9858 10.9858 11.5764 11.5764 11.8558 11.8558 13.8791 13.8791 14.0543 14.0543 15.8275 15.8275 20.3054 20.3054 k = 0.7470-0.3511-0.8160 ( 2336 PWs) bands (ev): -66.4687 -66.4687 -37.0801 -37.0801 -33.2313 -33.2313 -33.1342 -33.1342 -6.8651 -6.8651 -6.6912 -6.6912 4.9882 4.9882 5.3972 5.3972 6.2672 6.2672 6.6349 6.6349 6.9055 6.9055 7.2688 7.2688 7.8728 7.8728 8.6230 8.6230 8.7709 8.7709 9.1640 9.1640 10.4290 10.4290 10.9934 10.9934 11.5713 11.5713 11.8159 11.8159 13.8172 13.8172 14.0509 14.0509 15.8079 15.8079 20.4643 20.4643 k = 0.7422-0.3418-0.7986 ( 2346 PWs) bands (ev): -66.4689 -66.4689 -37.0794 -37.0794 -33.2298 -33.2298 -33.1337 -33.1337 -6.8654 -6.8654 -6.7037 -6.7037 4.9771 4.9771 5.4060 5.4060 6.3044 6.3044 6.6167 6.6167 6.9049 6.9049 7.2631 7.2631 7.8613 7.8613 8.6256 8.6256 8.7777 8.7777 9.1588 9.1588 10.4410 10.4410 11.0000 11.0000 11.5642 11.5642 11.7767 11.7767 13.7529 13.7529 14.0481 14.0481 15.7954 15.7954 20.6218 20.6218 k = 0.7374-0.3325-0.7812 ( 2344 PWs) bands (ev): -66.4691 -66.4691 -37.0785 -37.0785 -33.2281 -33.2281 -33.1331 -33.1331 -6.8653 -6.8653 -6.7172 -6.7172 4.9664 4.9664 5.4180 5.4180 6.3426 6.3426 6.5945 6.5945 6.9049 6.9049 7.2567 7.2567 7.8506 7.8506 8.6270 8.6270 8.7855 8.7855 9.1544 9.1544 10.4514 10.4514 11.0055 11.0055 11.5524 11.5524 11.7414 11.7414 13.6882 13.6882 14.0457 14.0457 15.7885 15.7885 20.7726 20.7726 k = 0.7325-0.3232-0.7637 ( 2348 PWs) bands (ev): -66.4694 -66.4694 -37.0777 -37.0777 -33.2264 -33.2264 -33.1326 -33.1326 -6.8649 -6.8649 -6.7317 -6.7317 4.9562 4.9562 5.4329 5.4329 6.3814 6.3814 6.5689 6.5689 6.9048 6.9048 7.2494 7.2494 7.8405 7.8405 8.6271 8.6271 8.7942 8.7942 9.1509 9.1509 10.4591 10.4591 11.0098 11.0098 11.5321 11.5321 11.7146 11.7146 13.6241 13.6241 14.0438 14.0438 15.7860 15.7860 20.8759 20.8759 k = 0.7277-0.3140-0.7463 ( 2352 PWs) bands (ev): -66.4697 -66.4697 -37.0768 -37.0768 -33.2245 -33.2245 -33.1320 -33.1320 -6.8643 -6.8643 -6.7471 -6.7471 4.9466 4.9466 5.4508 5.4508 6.4209 6.4209 6.5402 6.5402 6.9045 6.9045 7.2413 7.2413 7.8311 7.8311 8.6256 8.6256 8.8038 8.8038 9.1483 9.1483 10.4633 10.4633 11.0129 11.0129 11.5013 11.5013 11.6990 11.6990 13.5619 13.5619 14.0423 14.0423 15.7866 15.7866 20.8178 20.8178 k = 0.7228-0.3047-0.7288 ( 2354 PWs) bands (ev): -66.4700 -66.4700 -37.0758 -37.0758 -33.2225 -33.2225 -33.1315 -33.1315 -6.8635 -6.8635 -6.7633 -6.7633 4.9376 4.9376 5.4716 5.4716 6.4607 6.4607 6.5093 6.5093 6.9035 6.9035 7.2325 7.2325 7.8226 7.8226 8.6227 8.6227 8.8143 8.8143 9.1469 9.1469 10.4627 10.4627 11.0147 11.0147 11.4621 11.4621 11.6940 11.6940 13.5024 13.5024 14.0413 14.0413 15.7893 15.7893 20.6985 20.6985 k = 0.7180-0.2954-0.7114 ( 2350 PWs) bands (ev): -66.4702 -66.4702 -37.0748 -37.0748 -33.2204 -33.2204 -33.1310 -33.1310 -6.8624 -6.8624 -6.7803 -6.7803 4.9293 4.9293 5.4953 5.4953 6.4752 6.4752 6.5019 6.5019 6.9019 6.9019 7.2231 7.2231 7.8149 7.8149 8.6182 8.6182 8.8257 8.8257 9.1466 9.1466 10.4559 10.4559 11.0155 11.0155 11.4189 11.4189 11.6963 11.6963 13.4463 13.4463 14.0410 14.0410 15.7934 15.7934 20.5702 20.5702 k = 0.7131-0.2861-0.6939 ( 2346 PWs) bands (ev): -66.4705 -66.4705 -37.0738 -37.0738 -33.2181 -33.2181 -33.1304 -33.1304 -6.8613 -6.8613 -6.7980 -6.7980 4.9218 4.9218 5.5216 5.5216 6.4406 6.4406 6.5420 6.5420 6.8994 6.8994 7.2132 7.2132 7.8081 7.8081 8.6121 8.6121 8.8380 8.8380 9.1475 9.1475 10.4413 10.4413 11.0152 11.0152 11.3760 11.3760 11.7033 11.7033 13.3939 13.3939 14.0412 14.0412 15.7982 15.7982 20.4394 20.4394 k = 0.7083-0.2768-0.6765 ( 2348 PWs) bands (ev): -66.4708 -66.4708 -37.0727 -37.0727 -33.2158 -33.2158 -33.1299 -33.1299 -6.8603 -6.8603 -6.8160 -6.8160 4.9152 4.9152 5.5505 5.5505 6.4040 6.4040 6.5824 6.5824 6.8961 6.8961 7.2027 7.2027 7.8022 7.8022 8.6044 8.6044 8.8510 8.8510 9.1495 9.1495 10.4174 10.4174 11.0139 11.0139 11.3366 11.3366 11.7131 11.7131 13.3456 13.3456 14.0421 14.0421 15.8030 15.8030 20.3078 20.3078 k = 0.7035-0.2675-0.6590 ( 2350 PWs) bands (ev): -66.4711 -66.4711 -37.0716 -37.0716 -33.2134 -33.2134 -33.1294 -33.1294 -6.8607 -6.8607 -6.8331 -6.8331 4.9094 4.9094 5.5818 5.5818 6.3662 6.3662 6.6224 6.6224 6.8920 6.8920 7.1919 7.1919 7.7973 7.7973 8.5954 8.5954 8.8647 8.8647 9.1527 9.1527 10.3831 10.3831 11.0121 11.0121 11.3027 11.3027 11.7248 11.7248 13.3015 13.3015 14.0438 14.0438 15.8074 15.8074 20.1757 20.1757 k = 0.6986-0.2582-0.6416 ( 2348 PWs) bands (ev): -66.4715 -66.4715 -37.0705 -37.0705 -33.2109 -33.2109 -33.1290 -33.1290 -6.8673 -6.8673 -6.8445 -6.8445 4.9046 4.9046 5.6154 5.6154 6.3273 6.3273 6.6617 6.6617 6.8875 6.8875 7.1810 7.1810 7.7933 7.7933 8.5849 8.5849 8.8792 8.8792 9.1572 9.1572 10.3377 10.3377 11.0100 11.0100 11.2757 11.2757 11.7374 11.7374 13.2617 13.2617 14.0463 14.0463 15.8111 15.8111 20.0435 20.0435 k = 0.6938-0.2489-0.6242 ( 2344 PWs) bands (ev): -66.4718 -66.4718 -37.0693 -37.0693 -33.2082 -33.2082 -33.1285 -33.1285 -6.8836 -6.8836 -6.8466 -6.8466 4.9009 4.9009 5.6510 5.6510 6.2874 6.2874 6.6995 6.6995 6.8829 6.8829 7.1702 7.1702 7.7905 7.7905 8.5731 8.5731 8.8943 8.8943 9.1630 9.1630 10.2814 10.2814 11.0080 11.0080 11.2555 11.2555 11.7505 11.7505 13.2265 13.2265 14.0497 14.0497 15.8137 15.8137 19.9112 19.9112 k = 0.6889-0.2397-0.6067 ( 2346 PWs) bands (ev): -66.4721 -66.4721 -37.0681 -37.0681 -33.2055 -33.2055 -33.1281 -33.1281 -6.9037 -6.9037 -6.8452 -6.8452 4.8983 4.8983 5.6884 5.6884 6.2468 6.2468 6.7347 6.7347 6.8790 6.8790 7.1598 7.1598 7.7886 7.7886 8.5600 8.5600 8.9100 8.9100 9.1699 9.1699 10.2152 10.2152 11.0063 11.0063 11.2416 11.2416 11.7636 11.7636 13.1955 13.1955 14.0539 14.0539 15.8151 15.8151 19.7791 19.7791 k = 0.6841-0.2304-0.5893 ( 2346 PWs) bands (ev): -66.4725 -66.4725 -37.0669 -37.0669 -33.2028 -33.2028 -33.1276 -33.1276 -6.9252 -6.9252 -6.8428 -6.8428 4.8969 4.8969 5.7273 5.7273 6.2057 6.2057 6.7653 6.7653 6.8776 6.8776 7.1505 7.1505 7.7877 7.7877 8.5457 8.5457 8.9264 8.9264 9.1780 9.1780 10.1405 10.1405 11.0051 11.0051 11.2330 11.2330 11.7764 11.7764 13.1692 13.1692 14.0591 14.0591 15.8151 15.8151 19.6471 19.6471 k = 0.6792-0.2211-0.5718 ( 2344 PWs) bands (ev): -66.4728 -66.4728 -37.0657 -37.0657 -33.1999 -33.1999 -33.1272 -33.1272 -6.9474 -6.9474 -6.8399 -6.8399 4.8967 4.8967 5.7674 5.7674 6.1642 6.1642 6.7880 6.7880 6.8811 6.8811 7.1431 7.1431 7.7878 7.7878 8.5302 8.5302 8.9434 8.9434 9.1873 9.1873 10.0587 10.0587 11.0042 11.0042 11.2284 11.2284 11.7886 11.7886 13.1473 13.1473 14.0653 14.0653 15.8136 15.8136 19.5153 19.5153 k = 0.6744-0.2118-0.5544 ( 2344 PWs) bands (ev): -66.4732 -66.4732 -37.0644 -37.0644 -33.1970 -33.1970 -33.1268 -33.1268 -6.9702 -6.9702 -6.8366 -6.8366 4.8978 4.8978 5.8081 5.8081 6.1224 6.1224 6.8002 6.8002 6.8914 6.8914 7.1389 7.1389 7.7889 7.7889 8.5136 8.5136 8.9610 8.9610 9.1978 9.1978 9.9716 9.9716 11.0036 11.0036 11.2266 11.2266 11.8000 11.8000 13.1301 13.1301 14.0724 14.0724 15.8104 15.8104 19.3839 19.3839 k = 0.6695-0.2025-0.5369 ( 2340 PWs) bands (ev): -66.4736 -66.4736 -37.0632 -37.0632 -33.1940 -33.1940 -33.1264 -33.1264 -6.9934 -6.9934 -6.8332 -6.8332 4.9004 4.9004 5.8490 5.8490 6.0808 6.0808 6.8034 6.8034 6.9052 6.9052 7.1396 7.1396 7.7910 7.7910 8.4959 8.4959 8.9793 8.9793 9.2094 9.2094 9.8807 9.8807 11.0032 11.0032 11.2266 11.2266 11.8105 11.8105 13.1175 13.1175 14.0805 14.0805 15.8057 15.8057 19.2530 19.2530 k = 0.6647-0.1932-0.5195 ( 2340 PWs) bands (ev): -66.4739 -66.4739 -37.0619 -37.0619 -33.1909 -33.1909 -33.1261 -33.1261 -7.0170 -7.0170 -6.8295 -6.8295 4.9043 4.9043 5.8889 5.8889 6.0398 6.0398 6.8021 6.8021 6.9171 6.9171 7.1468 7.1468 7.7939 7.7939 8.4772 8.4772 8.9980 8.9980 9.2219 9.2219 9.7874 9.7874 11.0028 11.0028 11.2274 11.2274 11.8199 11.8199 13.1095 13.1095 14.0896 14.0896 15.7992 15.7992 19.1225 19.1225 k = 0.6599-0.1839-0.5021 ( 2334 PWs) bands (ev): -66.4743 -66.4743 -37.0606 -37.0606 -33.1878 -33.1878 -33.1257 -33.1257 -7.0407 -7.0407 -6.8256 -6.8256 4.9097 4.9097 5.9246 5.9246 6.0022 6.0022 6.7996 6.7996 6.9234 6.9234 7.1615 7.1615 7.7977 7.7977 8.4576 8.4576 9.0172 9.0172 9.2353 9.2353 9.6930 9.6930 11.0022 11.0022 11.2283 11.2283 11.8282 11.8282 13.1064 13.1064 14.0995 14.0995 15.7911 15.7911 18.9927 18.9927 k = 0.6550-0.1746-0.4846 ( 2336 PWs) bands (ev): -66.4747 -66.4747 -37.0593 -37.0593 -33.1847 -33.1847 -33.1254 -33.1254 -7.0647 -7.0647 -6.8217 -6.8217 4.9166 4.9166 5.9341 5.9341 5.9893 5.9893 6.7974 6.7974 6.9235 6.9235 7.1831 7.1831 7.8022 7.8022 8.4368 8.4368 9.0364 9.0364 9.2491 9.2491 9.5992 9.5992 11.0013 11.0013 11.2285 11.2285 11.8352 11.8352 13.1079 13.1079 14.1103 14.1103 15.7814 15.7814 18.8636 18.8636 k = 0.6502-0.1654-0.4672 ( 2338 PWs) bands (ev): -66.4750 -66.4750 -37.0580 -37.0580 -33.1815 -33.1815 -33.1251 -33.1251 -7.0887 -7.0887 -6.8176 -6.8176 4.9251 4.9251 5.9022 5.9022 6.0159 6.0159 6.7967 6.7967 6.9187 6.9187 7.2099 7.2099 7.8074 7.8074 8.4150 8.4150 9.0552 9.0552 9.2624 9.2624 9.5082 9.5082 10.9999 10.9999 11.2275 11.2275 11.8410 11.8410 13.1143 13.1143 14.1218 14.1218 15.7700 15.7700 18.7354 18.7354 k = 0.6453-0.1561-0.4497 ( 2336 PWs) bands (ev): -66.4754 -66.4754 -37.0567 -37.0567 -33.1783 -33.1783 -33.1248 -33.1248 -7.1128 -7.1128 -6.8134 -6.8134 4.9352 4.9352 5.8625 5.8625 6.0473 6.0473 6.7980 6.7980 6.9111 6.9111 7.2402 7.2402 7.8133 7.8133 8.3920 8.3920 9.0724 9.0724 9.2720 9.2720 9.4255 9.4255 10.9981 10.9981 11.2250 11.2250 11.8455 11.8455 13.1254 13.1254 14.1341 14.1341 15.7570 15.7570 18.6082 18.6082 k = 0.6405-0.1468-0.4323 ( 2340 PWs) bands (ev): -66.4758 -66.4758 -37.0554 -37.0554 -33.1751 -33.1751 -33.1246 -33.1246 -7.1368 -7.1368 -6.8091 -6.8091 4.9470 4.9470 5.8218 5.8218 6.0760 6.0760 6.8008 6.8008 6.9031 6.9031 7.2725 7.2725 7.8197 7.8197 8.3678 8.3678 9.0838 9.0838 9.2655 9.2655 9.3679 9.3679 10.9958 10.9958 11.2205 11.2205 11.8486 11.8486 13.1412 13.1412 14.1469 14.1469 15.7426 15.7426 18.4821 18.4821 k = 0.6356-0.1375-0.4148 ( 2344 PWs) bands (ev): -66.4762 -66.4762 -37.0541 -37.0541 -33.1719 -33.1719 -33.1243 -33.1243 -7.1607 -7.1607 -6.8048 -6.8048 4.9604 4.9604 5.7811 5.7811 6.1006 6.1006 6.8031 6.8031 6.8987 6.8987 7.3058 7.3058 7.8265 7.8265 8.3421 8.3421 9.0785 9.0785 9.2343 9.2343 9.3559 9.3559 10.9927 10.9927 11.2139 11.2139 11.8506 11.8506 13.1617 13.1617 14.1602 14.1602 15.7267 15.7267 18.3574 18.3574 k = 0.6308-0.1282-0.3974 ( 2340 PWs) bands (ev): -66.4765 -66.4765 -37.0528 -37.0528 -33.1687 -33.1687 -33.1241 -33.1241 -7.1844 -7.1844 -6.8004 -6.8004 4.9755 4.9755 5.7407 5.7407 6.1201 6.1201 6.8012 6.8012 6.9025 6.9025 7.3392 7.3392 7.8338 7.8338 8.3148 8.3148 9.0397 9.0397 9.2180 9.2180 9.3677 9.3677 10.9889 10.9889 11.2050 11.2050 11.8515 11.8515 13.1868 13.1868 14.1740 14.1740 15.7094 15.7094 18.2342 18.2342 k = 0.6259-0.1189-0.3799 ( 2340 PWs) bands (ev): -66.4769 -66.4769 -37.0516 -37.0516 -33.1655 -33.1655 -33.1238 -33.1238 -7.2079 -7.2079 -6.7960 -6.7960 4.9923 4.9923 5.7009 5.7009 6.1343 6.1343 6.7925 6.7925 6.9176 6.9176 7.3722 7.3722 7.8413 7.8413 8.2855 8.2855 8.9749 8.9749 9.2263 9.2263 9.3866 9.3866 10.9843 10.9843 11.1937 11.1937 11.8511 11.8511 13.2161 13.2161 14.1881 14.1881 15.6908 15.6908 18.1126 18.1126 k = 0.6211-0.1096-0.3625 ( 2340 PWs) bands (ev): -66.4773 -66.4773 -37.0503 -37.0503 -33.1624 -33.1624 -33.1236 -33.1236 -7.2312 -7.2312 -6.7916 -6.7916 5.0109 5.0109 5.6616 5.6616 6.1432 6.1432 6.7781 6.7781 6.9432 6.9432 7.4044 7.4044 7.8490 7.8490 8.2538 8.2538 8.9021 8.9021 9.2460 9.2460 9.4087 9.4087 10.9787 10.9787 11.1801 11.1801 11.8496 11.8496 13.2496 13.2496 14.2024 14.2024 15.6709 15.6709 17.9928 17.9928 k = 0.6163-0.1003-0.3451 ( 2338 PWs) bands (ev): -66.4776 -66.4776 -37.0491 -37.0491 -33.1593 -33.1593 -33.1234 -33.1234 -7.2540 -7.2540 -6.7873 -6.7873 5.0313 5.0313 5.6232 5.6232 6.1472 6.1472 6.7599 6.7599 6.9768 6.9768 7.4354 7.4354 7.8566 7.8566 8.2194 8.2194 8.8298 8.8298 9.2708 9.2708 9.4328 9.4328 10.9721 10.9721 11.1641 11.1641 11.8472 11.8472 13.2870 13.2870 14.2169 14.2169 15.6498 15.6498 17.8751 17.8751 k = 0.6114-0.0911-0.3276 ( 2332 PWs) bands (ev): -66.4779 -66.4779 -37.0479 -37.0479 -33.1562 -33.1562 -33.1232 -33.1232 -7.2764 -7.2764 -6.7829 -6.7829 5.0534 5.0534 5.5856 5.5856 6.1470 6.1470 6.7394 6.7394 7.0165 7.0165 7.4648 7.4648 7.8641 7.8641 8.1820 8.1820 8.7613 8.7613 9.2986 9.2986 9.4585 9.4585 10.9644 10.9644 11.1459 11.1459 11.8438 11.8438 13.3280 13.3280 14.2313 14.2313 15.6276 15.6276 17.7597 17.7597 k = 0.6066-0.0818-0.3102 ( 2336 PWs) bands (ev): -66.4783 -66.4783 -37.0467 -37.0467 -33.1532 -33.1532 -33.1231 -33.1231 -7.2984 -7.2984 -6.7786 -6.7786 5.0773 5.0773 5.5489 5.5489 6.1433 6.1433 6.7174 6.7174 7.0606 7.0606 7.4924 7.4924 7.8707 7.8707 8.1416 8.1416 8.6985 8.6985 9.3283 9.3283 9.4857 9.4857 10.9554 10.9554 11.1255 11.1255 11.8395 11.8395 13.3722 13.3722 14.2455 14.2455 15.6043 15.6043 17.6467 17.6467 k = 0.6017-0.0725-0.2927 ( 2334 PWs) bands (ev): -66.4786 -66.4786 -37.0455 -37.0455 -33.1502 -33.1502 -33.1229 -33.1229 -7.3198 -7.3198 -6.7744 -6.7744 5.1030 5.1030 5.5132 5.5132 6.1366 6.1366 6.6942 6.6942 7.1081 7.1081 7.5177 7.5177 7.8760 7.8760 8.0990 8.0990 8.6422 8.6422 9.3597 9.3597 9.5142 9.5142 10.9452 10.9452 11.1031 11.1031 11.8345 11.8345 13.4194 13.4194 14.2596 14.2596 15.5800 15.5800 17.5364 17.5364 k = 0.5969-0.0632-0.2753 ( 2336 PWs) bands (ev): -66.4790 -66.4790 -37.0444 -37.0444 -33.1473 -33.1473 -33.1227 -33.1227 -7.3406 -7.3406 -6.7702 -6.7702 5.1304 5.1304 5.4787 5.4787 6.1277 6.1277 6.6702 6.6702 7.1577 7.1577 7.5404 7.5404 7.8783 7.8783 8.0563 8.0563 8.5929 8.5929 9.3925 9.3925 9.5441 9.5441 10.9336 10.9336 11.0789 11.0789 11.8288 11.8288 13.4691 13.4691 14.2734 14.2734 15.5546 15.5546 17.4291 17.4291 k = 0.5920-0.0539-0.2578 ( 2336 PWs) bands (ev): -66.4793 -66.4793 -37.0433 -37.0433 -33.1445 -33.1445 -33.1225 -33.1225 -7.3607 -7.3607 -6.7662 -6.7662 5.1595 5.1595 5.4454 5.4454 6.1172 6.1172 6.6454 6.6454 7.2087 7.2087 7.5596 7.5596 7.8742 7.8742 8.0178 8.0178 8.5505 8.5505 9.4267 9.4267 9.5751 9.5751 10.9205 10.9205 11.0529 11.0529 11.8226 11.8226 13.5212 13.5212 14.2868 14.2868 15.5284 15.5284 17.3249 17.3249 k = 0.5872-0.0446-0.2404 ( 2332 PWs) bands (ev): -66.4796 -66.4796 -37.0423 -37.0423 -33.1418 -33.1418 -33.1224 -33.1224 -7.3801 -7.3801 -6.7622 -6.7622 5.1903 5.1903 5.4133 5.4133 6.1054 6.1054 6.6200 6.6200 7.2601 7.2601 7.5744 7.5744 7.8587 7.8587 7.9906 7.9906 8.5144 8.5144 9.4622 9.4622 9.6075 9.6075 10.9059 10.9059 11.0254 11.0254 11.8159 11.8159 13.5753 13.5753 14.2997 14.2997 15.5012 15.5012 17.2242 17.2242 k = 0.5823-0.0353-0.2230 ( 2332 PWs) bands (ev): -66.4799 -66.4799 -37.0412 -37.0412 -33.1392 -33.1392 -33.1222 -33.1222 -7.3988 -7.3988 -6.7584 -6.7584 5.2227 5.2227 5.3828 5.3828 6.0929 6.0929 6.5940 6.5940 7.3110 7.3110 7.5828 7.5828 7.8309 7.8309 7.9785 7.9785 8.4839 8.4839 9.4988 9.4988 9.6410 9.6410 10.8896 10.8896 10.9964 10.9964 11.8088 11.8088 13.6309 13.6309 14.3121 14.3121 15.4733 15.4733 17.1271 17.1271 k = 0.5775-0.0260-0.2055 ( 2330 PWs) bands (ev): -66.4801 -66.4801 -37.0403 -37.0403 -33.1368 -33.1368 -33.1220 -33.1220 -7.4167 -7.4167 -6.7547 -6.7547 5.2562 5.2562 5.3541 5.3541 6.0800 6.0800 6.5673 6.5673 7.3605 7.3605 7.5821 7.5821 7.7992 7.7992 7.9773 7.9773 8.4583 8.4583 9.5365 9.5365 9.6756 9.6756 10.8717 10.8717 10.9662 10.9662 11.8015 11.8015 13.6878 13.6878 14.3239 14.3239 15.4445 15.4445 17.0339 17.0339 k = 0.5727-0.0168-0.1881 ( 2332 PWs) bands (ev): -66.4804 -66.4804 -37.0394 -37.0394 -33.1345 -33.1345 -33.1218 -33.1218 -7.4338 -7.4338 -6.7512 -6.7512 5.2888 5.2888 5.3295 5.3295 6.0669 6.0669 6.5399 6.5399 7.4065 7.4065 7.5696 7.5696 7.7736 7.7736 7.9819 7.9819 8.4369 8.4369 9.5753 9.5753 9.7112 9.7112 10.8519 10.8519 10.9348 10.9348 11.7940 11.7940 13.7456 13.7456 14.3350 14.3350 15.4150 15.4150 16.9450 16.9450 k = 0.5678-0.0075-0.1706 ( 2334 PWs) bands (ev): -66.4807 -66.4807 -37.0385 -37.0385 -33.1323 -33.1323 -33.1215 -33.1215 -7.4499 -7.4499 -6.7479 -6.7479 5.2925 5.2925 5.3368 5.3368 6.0539 6.0539 6.5118 6.5118 7.4437 7.4437 7.5494 7.5494 7.7589 7.7589 7.9894 7.9894 8.4191 8.4191 9.6150 9.6150 9.7478 9.7478 10.8302 10.8302 10.9024 10.9024 11.7864 11.7864 13.8040 13.8040 14.3453 14.3453 15.3849 15.3849 16.8604 16.8604 k = 0.5630 0.0018-0.1532 ( 2332 PWs) bands (ev): -66.4809 -66.4809 -37.0377 -37.0377 -33.1304 -33.1304 -33.1211 -33.1211 -7.4651 -7.4651 -6.7447 -6.7447 5.2705 5.2705 5.3730 5.3730 6.0411 6.0411 6.4829 6.4829 7.4518 7.4518 7.5448 7.5448 7.7535 7.7535 7.9985 7.9985 8.4042 8.4042 9.6558 9.6558 9.7855 9.7855 10.8067 10.8067 10.8692 10.8692 11.7789 11.7789 13.8625 13.8625 14.3550 14.3550 15.3541 15.3541 16.7806 16.7806 k = 0.5581 0.0111-0.1357 ( 2336 PWs) bands (ev): -66.4811 -66.4811 -37.0369 -37.0369 -33.1287 -33.1287 -33.1207 -33.1207 -7.4794 -7.4794 -6.7417 -6.7417 5.2478 5.2478 5.4128 5.4128 6.0289 6.0289 6.4529 6.4529 7.4211 7.4211 7.5703 7.5703 7.7537 7.7537 8.0084 8.0084 8.3919 8.3919 9.6974 9.6974 9.8240 9.8240 10.7813 10.7813 10.8352 10.8352 11.7715 11.7715 13.9208 13.9208 14.3639 14.3639 15.3228 15.3228 16.7056 16.7056 k = 0.5533 0.0204-0.1183 ( 2338 PWs) bands (ev): -66.4814 -66.4814 -37.0362 -37.0362 -33.1273 -33.1273 -33.1201 -33.1201 -7.4926 -7.4926 -6.7389 -6.7389 5.2264 5.2264 5.4545 5.4545 6.0172 6.0172 6.4219 6.4219 7.3765 7.3765 7.6043 7.6043 7.7568 7.7568 8.0191 8.0191 8.3817 8.3817 9.7396 9.7396 9.8633 9.8633 10.7540 10.7540 10.8006 10.8006 11.7643 11.7643 13.9785 13.9785 14.3721 14.3721 15.2911 15.2911 16.6358 16.6358 k = 0.5484 0.0297-0.1008 ( 2336 PWs) bands (ev): -66.4815 -66.4815 -37.0355 -37.0355 -33.1262 -33.1262 -33.1194 -33.1194 -7.5048 -7.5048 -6.7363 -6.7363 5.2066 5.2066 5.4976 5.4976 6.0063 6.0063 6.3897 6.3897 7.3294 7.3294 7.6376 7.6376 7.7615 7.7615 8.0300 8.0300 8.3735 8.3735 9.7823 9.7823 9.9033 9.9033 10.7250 10.7250 10.7656 10.7656 11.7575 11.7575 14.0351 14.0351 14.3796 14.3796 15.2592 15.2592 16.5713 16.5713 k = 0.5436 0.0390-0.0834 ( 2342 PWs) bands (ev): -66.4817 -66.4817 -37.0349 -37.0349 -33.1254 -33.1254 -33.1185 -33.1185 -7.5160 -7.5160 -6.7340 -6.7340 5.1885 5.1885 5.5420 5.5420 5.9961 5.9961 6.3560 6.3560 7.2831 7.2831 7.6675 7.6675 7.7671 7.7671 8.0410 8.0410 8.3667 8.3667 9.8253 9.8253 9.9438 9.9438 10.6943 10.6943 10.7299 10.7299 11.7510 11.7510 14.0902 14.0902 14.3864 14.3864 15.2270 15.2270 16.5124 16.5124 k = 0.5388 0.0483-0.0660 ( 2344 PWs) bands (ev): -66.4819 -66.4819 -37.0344 -37.0344 -33.1249 -33.1249 -33.1176 -33.1176 -7.5260 -7.5260 -6.7319 -6.7319 5.1721 5.1721 5.5874 5.5874 5.9869 5.9869 6.3208 6.3208 7.2395 7.2395 7.6931 7.6931 7.7739 7.7739 8.0518 8.0518 8.3613 8.3613 9.8683 9.8683 9.9849 9.9849 10.6623 10.6623 10.6938 10.6938 11.7450 11.7450 14.1433 14.1433 14.3927 14.3927 15.1951 15.1951 16.4592 16.4592 k = 0.5339 0.0575-0.0485 ( 2344 PWs) bands (ev): -66.4820 -66.4820 -37.0339 -37.0339 -33.1245 -33.1245 -33.1166 -33.1166 -7.5349 -7.5349 -6.7300 -6.7300 5.1576 5.1576 5.6338 5.6338 5.9786 5.9786 6.2839 6.2839 7.1995 7.1995 7.7133 7.7133 7.7821 7.7821 8.0624 8.0624 8.3570 8.3570 9.9108 9.9108 10.0262 10.0262 10.6295 10.6295 10.6573 10.6573 11.7395 11.7395 14.1935 14.1935 14.3986 14.3986 15.1636 15.1636 16.4119 16.4119 k = 0.5291 0.0668-0.0311 ( 2344 PWs) bands (ev): -66.4822 -66.4822 -37.0335 -37.0335 -33.1242 -33.1242 -33.1157 -33.1157 -7.5427 -7.5427 -6.7283 -6.7283 5.1450 5.1450 5.6809 5.6809 5.9714 5.9714 6.2453 6.2453 7.1639 7.1639 7.7280 7.7280 7.7918 7.7918 8.0722 8.0722 8.3536 8.3536 9.9524 9.9524 10.0675 10.0675 10.5964 10.5964 10.6203 10.6203 11.7346 11.7346 14.2400 14.2400 14.4044 14.4044 15.1332 15.1332 16.3707 16.3707 k = 0.5242 0.0761-0.0136 ( 2344 PWs) bands (ev): -66.4823 -66.4823 -37.0331 -37.0331 -33.1240 -33.1240 -33.1149 -33.1149 -7.5493 -7.5493 -6.7269 -6.7269 5.1342 5.1342 5.7284 5.7284 5.9653 5.9653 6.2051 6.2051 7.1332 7.1332 7.7378 7.7378 7.8024 7.8024 8.0812 8.0812 8.3511 8.3511 9.9923 9.9923 10.1085 10.1085 10.5638 10.5638 10.5832 10.5832 11.7303 11.7303 14.2814 14.2814 14.4104 14.4104 15.1044 15.1044 16.3356 16.3356 k = 0.5194 0.0854 0.0038 ( 2348 PWs) bands (ev): -66.4824 -66.4824 -37.0328 -37.0328 -33.1239 -33.1239 -33.1143 -33.1143 -7.5548 -7.5548 -6.7257 -6.7257 5.1254 5.1254 5.7761 5.7761 5.9605 5.9605 6.1633 6.1633 7.1076 7.1076 7.7441 7.7441 7.8124 7.8124 8.0890 8.0890 8.3491 8.3491 10.0294 10.0294 10.1487 10.1487 10.5325 10.5325 10.5463 10.5463 11.7268 11.7268 14.3162 14.3162 14.4173 14.4173 15.0781 15.0781 16.3067 16.3067 k = 0.5145 0.0947 0.0213 ( 2348 PWs) bands (ev): -66.4824 -66.4824 -37.0326 -37.0326 -33.1238 -33.1238 -33.1137 -33.1137 -7.5590 -7.5590 -6.7248 -6.7248 5.1185 5.1185 5.8232 5.8232 5.9574 5.9574 6.1203 6.1203 7.0876 7.0876 7.7481 7.7481 7.8209 7.8209 8.0954 8.0954 8.3478 8.3478 10.0624 10.0624 10.1868 10.1868 10.5040 10.5040 10.5110 10.5110 11.7240 11.7240 14.3426 14.3426 14.4256 14.4256 15.0555 15.0555 16.2842 16.2842 k = 0.5097 0.1040 0.0387 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0324 -37.0324 -33.1237 -33.1237 -33.1133 -33.1133 -7.5620 -7.5620 -6.7242 -6.7242 5.1135 5.1135 5.8683 5.8683 5.9567 5.9567 6.0765 6.0765 7.0732 7.0732 7.7504 7.7504 7.8273 7.8273 8.1001 8.1001 8.3469 8.3469 10.0891 10.0891 10.2210 10.2210 10.4770 10.4770 10.4824 10.4824 11.7220 11.7220 14.3597 14.3597 14.4348 14.4348 15.0379 15.0379 16.2681 16.2681 k = 0.5048 0.1133 0.0562 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1131 -33.1131 -7.5639 -7.5639 -6.7238 -6.7238 5.1106 5.1106 5.9055 5.9055 5.9631 5.9631 6.0333 6.0333 7.0645 7.0645 7.7518 7.7518 7.8312 7.8312 8.1030 8.1030 8.3463 8.3463 10.1070 10.1070 10.2467 10.2467 10.4530 10.4530 10.4661 10.4661 11.7207 11.7207 14.3687 14.3687 14.4423 14.4423 15.0267 15.0267 16.2584 16.2584 k = 0.5000 0.1226 0.0736 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5645 -7.5645 -6.7237 -6.7237 5.1096 5.1096 5.9200 5.9200 5.9798 5.9798 6.0023 6.0023 7.0616 7.0616 7.7522 7.7522 7.8325 7.8325 8.1040 8.1040 8.3462 8.3462 10.1133 10.1133 10.2569 10.2569 10.4432 10.4432 10.4604 10.4604 11.7203 11.7203 14.3714 14.3714 14.4452 14.4452 15.0228 15.0228 16.2551 16.2551 k = 0.5000 0.1226 0.0736 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5645 -7.5645 -6.7237 -6.7237 5.1096 5.1096 5.9200 5.9200 5.9798 5.9798 6.0023 6.0023 7.0616 7.0616 7.7522 7.7522 7.8325 7.8325 8.1040 8.1040 8.3462 8.3462 10.1133 10.1133 10.2569 10.2569 10.4432 10.4432 10.4604 10.4604 11.7203 11.7203 14.3714 14.3714 14.4452 14.4452 15.0228 15.0228 16.2551 16.2551 k = 0.4808 0.1178 0.0708 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5652 -7.5652 -6.7228 -6.7228 5.0987 5.0987 5.9194 5.9194 5.9791 5.9791 6.0144 6.0144 7.0623 7.0623 7.7530 7.7530 7.8347 7.8347 8.1052 8.1052 8.3462 8.3462 10.1109 10.1109 10.2542 10.2542 10.4434 10.4434 10.4608 10.4608 11.7189 11.7189 14.3723 14.3723 14.4461 14.4461 15.0120 15.0120 16.2672 16.2672 k = 0.4615 0.1131 0.0679 ( 2347 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5672 -7.5672 -6.7201 -6.7201 5.0680 5.0680 5.9176 5.9176 5.9770 5.9770 6.0491 6.0491 7.0645 7.0645 7.7555 7.7555 7.8411 7.8411 8.1091 8.1091 8.3461 8.3461 10.1039 10.1039 10.2461 10.2461 10.4437 10.4437 10.4622 10.4622 11.7147 11.7147 14.3750 14.3750 14.4487 14.4487 14.9812 14.9812 16.3019 16.3019 k = 0.4423 0.1084 0.0651 ( 2347 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5706 -7.5706 -6.7157 -6.7157 5.0215 5.0215 5.9146 5.9146 5.9735 5.9735 6.1019 6.1019 7.0685 7.0685 7.7595 7.7595 7.8517 7.8517 8.1156 8.1156 8.3460 8.3460 10.0923 10.0923 10.2328 10.2328 10.4443 10.4443 10.4642 10.4642 11.7075 11.7075 14.3794 14.3794 14.4529 14.4529 14.9336 14.9336 16.3558 16.3558 k = 0.4231 0.1037 0.0623 ( 2341 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1130 -33.1130 -7.5752 -7.5752 -6.7097 -6.7097 4.9641 4.9641 5.9106 5.9106 5.9688 5.9688 6.1677 6.1677 7.0743 7.0743 7.7648 7.7648 7.8664 7.8664 8.1250 8.1250 8.3460 8.3460 10.0762 10.0762 10.2148 10.2148 10.4451 10.4451 10.4667 10.4667 11.6974 11.6974 14.3854 14.3854 14.4586 14.4586 14.8737 14.8737 16.4248 16.4248 k = 0.4038 0.0990 0.0594 ( 2347 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1130 -33.1130 -7.5810 -7.5810 -6.7022 -6.7022 4.8997 4.8997 5.9055 5.9055 5.9629 5.9629 6.2421 6.2421 7.0826 7.0826 7.7710 7.7710 7.8850 7.8850 8.1372 8.1372 8.3458 8.3458 10.0557 10.0557 10.1922 10.1922 10.4458 10.4458 10.4693 10.4693 11.6841 11.6841 14.3930 14.3930 14.4657 14.4657 14.8054 14.8054 16.5049 16.5049 k = 0.3846 0.0943 0.0566 ( 2347 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1130 -33.1130 -7.5877 -7.5877 -6.6933 -6.6933 4.8312 4.8312 5.8996 5.8996 5.9560 5.9560 6.3212 6.3212 7.0939 7.0939 7.7780 7.7780 7.9076 7.9076 8.1525 8.1525 8.3456 8.3456 10.0312 10.0312 10.1654 10.1654 10.4467 10.4467 10.4720 10.4720 11.6675 11.6675 14.4019 14.4019 14.4740 14.4740 14.7324 14.7324 16.5927 16.5927 k = 0.3654 0.0896 0.0538 ( 2347 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1130 -33.1130 -7.5952 -7.5952 -6.6834 -6.6834 4.7609 4.7609 5.8928 5.8928 5.9482 5.9482 6.4019 6.4019 7.1093 7.1093 7.7854 7.7854 7.9338 7.9338 8.1712 8.1712 8.3454 8.3454 10.0027 10.0027 10.1348 10.1348 10.4475 10.4475 10.4747 10.4747 11.6476 11.6476 14.4121 14.4121 14.4830 14.4830 14.6576 14.6576 16.6856 16.6856 k = 0.3462 0.0848 0.0510 ( 2335 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6034 -7.6034 -6.6724 -6.6724 4.6904 4.6904 5.8854 5.8854 5.9396 5.9396 6.4811 6.4811 7.1301 7.1301 7.7930 7.7930 7.9637 7.9637 8.1934 8.1934 8.3453 8.3453 9.9705 9.9705 10.1005 10.1005 10.4484 10.4484 10.4773 10.4773 11.6241 11.6241 14.4236 14.4236 14.4912 14.4912 14.5846 14.5846 16.7815 16.7815 k = 0.3269 0.0801 0.0481 ( 2338 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6122 -7.6122 -6.6608 -6.6608 4.6206 4.6206 5.8775 5.8775 5.9305 5.9305 6.5560 6.5560 7.1578 7.1578 7.8003 7.8003 7.9968 7.9968 8.2189 8.2189 8.3451 8.3451 9.9348 9.9348 10.0627 10.0627 10.4491 10.4491 10.4796 10.4796 11.5968 11.5968 14.4358 14.4358 14.4833 14.4833 14.5296 14.5296 16.8789 16.8789 k = 0.3077 0.0754 0.0453 ( 2335 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6212 -7.6212 -6.6486 -6.6486 4.5524 4.5524 5.8692 5.8692 5.9210 5.9210 6.6237 6.6237 7.1945 7.1945 7.8073 7.8073 8.0331 8.0331 8.2481 8.2481 8.3448 8.3448 9.8959 9.8959 10.0218 10.0218 10.4498 10.4498 10.4818 10.4818 11.5659 11.5659 14.4261 14.4261 14.4487 14.4487 14.5274 14.5274 16.9766 16.9766 k = 0.2885 0.0707 0.0425 ( 2332 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6305 -7.6305 -6.6360 -6.6360 4.4863 4.4863 5.8606 5.8606 5.9112 5.9112 6.6819 6.6819 7.2412 7.2412 7.8139 7.8139 8.0723 8.0723 8.2807 8.2807 8.3446 8.3446 9.8540 9.8540 9.9779 9.9779 10.4502 10.4502 10.4838 10.4838 11.5313 11.5313 14.3601 14.3601 14.4621 14.4621 14.5382 14.5382 17.0734 17.0734 k = 0.2692 0.0660 0.0396 ( 2332 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6398 -7.6398 -6.6233 -6.6233 4.4230 4.4230 5.8519 5.8519 5.9013 5.9013 6.7295 6.7295 7.2986 7.2986 7.8198 7.8198 8.1141 8.1141 8.3166 8.3166 8.3443 8.3443 9.8094 9.8094 9.9314 9.9314 10.4505 10.4505 10.4856 10.4856 11.4931 11.4931 14.2967 14.2967 14.4758 14.4758 14.5507 14.5507 17.1684 17.1684 k = 0.2500 0.0613 0.0368 ( 2332 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6491 -7.6491 -6.6106 -6.6106 4.3628 4.3628 5.8433 5.8433 5.8915 5.8915 6.7668 6.7668 7.3656 7.3656 7.8251 7.8251 8.1583 8.1583 8.3440 8.3440 8.3557 8.3557 9.7623 9.7623 9.8823 9.8823 10.4506 10.4506 10.4873 10.4873 11.4515 11.4515 14.2376 14.2376 14.4896 14.4896 14.5638 14.5638 17.2609 17.2609 k = 0.2308 0.0566 0.0340 ( 2317 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6581 -7.6581 -6.5981 -6.5981 4.3060 4.3060 5.8348 5.8348 5.8819 5.8819 6.7952 6.7952 7.4400 7.4400 7.8300 7.8300 8.2048 8.2048 8.3439 8.3439 8.3979 8.3979 9.7133 9.7133 9.8312 9.8312 10.4506 10.4506 10.4890 10.4890 11.4071 11.4071 14.1834 14.1834 14.5033 14.5033 14.5770 14.5770 17.3502 17.3502 k = 0.2115 0.0519 0.0311 ( 2329 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6668 -7.6668 -6.5860 -6.5860 4.2528 4.2528 5.8265 5.8265 5.8725 5.8725 6.8161 6.8161 7.5191 7.5191 7.8341 7.8341 8.2530 8.2530 8.3436 8.3436 8.4427 8.4427 9.6621 9.6621 9.7779 9.7779 10.4501 10.4501 10.4902 10.4902 11.3601 11.3601 14.1343 14.1343 14.5167 14.5167 14.5900 14.5900 17.4355 17.4355 k = 0.1923 0.0471 0.0283 ( 2329 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6751 -7.6751 -6.5744 -6.5744 4.2037 4.2037 5.8186 5.8186 5.8636 5.8636 6.8319 6.8319 7.6006 7.6006 7.8376 7.8376 8.3029 8.3029 8.3434 8.3434 8.4900 8.4900 9.6095 9.6095 9.7229 9.7229 10.4494 10.4494 10.4914 10.4914 11.3116 11.3116 14.0905 14.0905 14.5295 14.5295 14.6026 14.6026 17.5164 17.5164 k = 0.1731 0.0424 0.0255 ( 2328 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6829 -7.6829 -6.5635 -6.5635 4.1587 4.1587 5.8111 5.8111 5.8553 5.8553 6.8438 6.8438 7.6821 7.6821 7.8407 7.8407 8.3430 8.3430 8.3542 8.3542 8.5395 8.5395 9.5556 9.5556 9.6665 9.6665 10.4484 10.4484 10.4925 10.4925 11.2623 11.2623 14.0519 14.0519 14.5417 14.5417 14.6145 14.6145 17.5921 17.5921 k = 0.1538 0.0377 0.0226 ( 2328 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6900 -7.6900 -6.5534 -6.5534 4.1179 4.1179 5.8042 5.8042 5.8475 5.8475 6.8526 6.8526 7.7615 7.7615 7.8433 7.8433 8.3428 8.3428 8.4060 8.4060 8.5908 8.5908 9.5011 9.5011 9.6091 9.6091 10.4471 10.4471 10.4934 10.4934 11.2133 11.2133 14.0184 14.0184 14.5531 14.5531 14.6257 14.6257 17.6621 17.6621 k = 0.1346 0.0330 0.0198 ( 2328 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.6965 -7.6965 -6.5441 -6.5441 4.0817 4.0817 5.7979 5.7979 5.8405 5.8405 6.8592 6.8592 7.8371 7.8371 7.8455 7.8455 8.3426 8.3426 8.4583 8.4583 8.6436 8.6436 9.4464 9.4464 9.5508 9.5508 10.4454 10.4454 10.4942 10.4942 11.1657 11.1657 13.9896 13.9896 14.5635 14.5635 14.6359 14.6359 17.7257 17.7257 k = 0.1154 0.0283 0.0170 ( 2325 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7022 -7.7022 -6.5359 -6.5359 4.0500 4.0500 5.7923 5.7923 5.8343 5.8343 6.8642 6.8642 7.8473 7.8473 7.9071 7.9071 8.3425 8.3425 8.5104 8.5104 8.6974 8.6974 9.3922 9.3922 9.4923 9.4923 10.4436 10.4436 10.4950 10.4950 11.1209 11.1209 13.9655 13.9655 14.5728 14.5728 14.6451 14.6451 17.7825 17.7825 k = 0.0962 0.0236 0.0142 ( 2319 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7071 -7.7071 -6.5288 -6.5288 4.0230 4.0230 5.7875 5.7875 5.8290 5.8290 6.8679 6.8679 7.8488 7.8488 7.9699 7.9699 8.3424 8.3424 8.5612 8.5612 8.7517 8.7517 9.3395 9.3395 9.4342 9.4342 10.4415 10.4415 10.4956 10.4956 11.0801 11.0801 13.9456 13.9456 14.5810 14.5810 14.6531 14.6531 17.8318 17.8318 k = 0.0769 0.0189 0.0113 ( 2322 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7112 -7.7112 -6.5229 -6.5229 4.0009 4.0009 5.7834 5.7834 5.8244 5.8244 6.8707 6.8707 7.8499 7.8499 8.0240 8.0240 8.3421 8.3421 8.6096 8.6096 8.8054 8.8054 9.2893 9.2893 9.3772 9.3772 10.4393 10.4393 10.4961 10.4961 11.0446 11.0446 13.9298 13.9298 14.5876 14.5876 14.6597 14.6597 17.8731 17.8731 k = 0.0577 0.0141 0.0085 ( 2322 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7145 -7.7145 -6.5183 -6.5183 3.9835 3.9835 5.7803 5.7803 5.8209 5.8209 6.8726 6.8726 7.8508 7.8508 8.0678 8.0678 8.3420 8.3420 8.6535 8.6535 8.8571 8.8571 9.2441 9.2441 9.3230 9.3230 10.4372 10.4372 10.4965 10.4965 11.0156 11.0156 13.9177 13.9177 14.5929 14.5929 14.6650 14.6650 17.9059 17.9059 k = 0.0385 0.0094 0.0057 ( 2319 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7168 -7.7168 -6.5149 -6.5149 3.9711 3.9711 5.7780 5.7780 5.8184 5.8184 6.8740 6.8740 7.8514 7.8514 8.1001 8.1001 8.3419 8.3419 8.6900 8.6900 8.9036 8.9036 9.2066 9.2066 9.2746 9.2746 10.4355 10.4355 10.4968 10.4968 10.9942 10.9942 13.9093 13.9093 14.5968 14.5968 14.6688 14.6688 17.9297 17.9297 k = 0.0192 0.0047 0.0028 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7182 -7.7182 -6.5129 -6.5129 3.9636 3.9636 5.7766 5.7766 5.8168 5.8168 6.8747 6.8747 7.8517 7.8517 8.1198 8.1198 8.3419 8.3419 8.7146 8.7146 8.9387 8.9387 9.1811 9.1811 9.2383 9.2383 10.4342 10.4342 10.4968 10.4968 10.9809 10.9809 13.9043 13.9043 14.5991 14.5991 14.6710 14.6710 17.9441 17.9441 k = 0.0000 0.0000 0.0000 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7187 -7.7187 -6.5122 -6.5122 3.9611 3.9611 5.7761 5.7761 5.8163 5.8163 6.8749 6.8749 7.8518 7.8518 8.1265 8.1265 8.3418 8.3418 8.7236 8.7236 8.9526 8.9526 9.1720 9.1720 9.2240 9.2240 10.4338 10.4338 10.4969 10.4969 10.9764 10.9764 13.9026 13.9026 14.5999 14.5999 14.6718 14.6718 17.9489 17.9489 k = 0.0000 0.0000 0.0000 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0322 -37.0322 -33.1236 -33.1236 -33.1130 -33.1130 -7.7187 -7.7187 -6.5122 -6.5122 3.9611 3.9611 5.7761 5.7761 5.8163 5.8163 6.8749 6.8749 7.8518 7.8518 8.1265 8.1265 8.3418 8.3418 8.7236 8.7236 8.9526 8.9526 9.1720 9.1720 9.2240 9.2240 10.4338 10.4338 10.4969 10.4969 10.9764 10.9764 13.9026 13.9026 14.5999 14.5999 14.6718 14.6718 17.9489 17.9489 k = 0.0049-0.0093-0.0175 ( 2331 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1236 -33.1236 -33.1131 -33.1131 -7.7181 -7.7181 -6.5123 -6.5123 3.9619 3.9619 5.7758 5.7758 5.8160 5.8160 6.8760 6.8760 7.8519 7.8519 8.1282 8.1282 8.3420 8.3420 8.7233 8.7233 8.9523 8.9523 9.1684 9.1684 9.2203 9.2203 10.4363 10.4363 10.4993 10.4993 10.9768 10.9768 13.9040 13.9040 14.5985 14.5985 14.6705 14.6705 17.9526 17.9526 k = 0.0097-0.0186-0.0350 ( 2325 PWs) bands (ev): -66.4824 -66.4824 -37.0324 -37.0324 -33.1236 -33.1236 -33.1133 -33.1133 -7.7163 -7.7163 -6.5128 -6.5128 3.9644 3.9644 5.7746 5.7746 5.8153 5.8153 6.8793 6.8793 7.8523 7.8523 8.1330 8.1330 8.3424 8.3424 8.7224 8.7224 8.9514 8.9514 9.1576 9.1576 9.2095 9.2095 10.4438 10.4438 10.5065 10.5065 10.9782 10.9782 13.9082 13.9082 14.5945 14.5945 14.6669 14.6669 17.9635 17.9635 k = 0.0146-0.0279-0.0525 ( 2325 PWs) bands (ev): -66.4824 -66.4824 -37.0325 -37.0325 -33.1237 -33.1237 -33.1137 -33.1137 -7.7133 -7.7133 -6.5136 -6.5136 3.9686 3.9686 5.7719 5.7719 5.8148 5.8148 6.8848 6.8848 7.8527 7.8527 8.1410 8.1410 8.3429 8.3429 8.7209 8.7209 8.9497 8.9497 9.1393 9.1393 9.1926 9.1926 10.4559 10.4559 10.5184 10.5184 10.9804 10.9804 13.9151 13.9151 14.5873 14.5873 14.6613 14.6613 17.9817 17.9817 k = 0.0194-0.0373-0.0700 ( 2319 PWs) bands (ev): -66.4823 -66.4823 -37.0328 -37.0328 -33.1238 -33.1238 -33.1142 -33.1142 -7.7091 -7.7091 -6.5148 -6.5148 3.9744 3.9744 5.7671 5.7671 5.8153 5.8153 6.8924 6.8924 7.8534 7.8534 8.1519 8.1519 8.3438 8.3438 8.7188 8.7188 8.9472 8.9472 9.1135 9.1135 9.1709 9.1709 10.4719 10.4719 10.5344 10.5344 10.9836 10.9836 13.9245 13.9245 14.5766 14.5766 14.6546 14.6546 18.0069 18.0069 k = 0.0243-0.0466-0.0875 ( 2321 PWs) bands (ev): -66.4822 -66.4822 -37.0331 -37.0331 -33.1239 -33.1239 -33.1149 -33.1149 -7.7037 -7.7037 -6.5162 -6.5162 3.9818 3.9818 5.7597 5.7597 5.8173 5.8173 6.9021 6.9021 7.8541 7.8541 8.1653 8.1653 8.3450 8.3450 8.7160 8.7160 8.9436 8.9436 9.0808 9.0808 9.1455 9.1455 10.4913 10.4913 10.5541 10.5541 10.9878 10.9878 13.9362 13.9362 14.5619 14.5619 14.6474 14.6474 18.0388 18.0388 k = 0.0292-0.0559-0.1050 ( 2319 PWs) bands (ev): -66.4821 -66.4821 -37.0334 -37.0334 -33.1241 -33.1241 -33.1157 -33.1157 -7.6972 -7.6972 -6.5180 -6.5180 3.9908 3.9908 5.7497 5.7497 5.8210 5.8210 6.9139 6.9139 7.8548 7.8548 8.1809 8.1809 8.3465 8.3465 8.7123 8.7123 8.9383 8.9383 9.0429 9.0429 9.1172 9.1172 10.5135 10.5135 10.5769 10.5769 10.9930 10.9930 13.9499 13.9499 14.5432 14.5432 14.6405 14.6405 18.0770 18.0770 k = 0.0340-0.0652-0.1225 ( 2319 PWs) bands (ev): -66.4820 -66.4820 -37.0338 -37.0338 -33.1244 -33.1244 -33.1166 -33.1166 -7.6895 -7.6895 -6.5200 -6.5200 4.0014 4.0014 5.7375 5.7375 5.8263 5.8263 6.9275 6.9275 7.8555 7.8555 8.1983 8.1983 8.3484 8.3484 8.7076 8.7076 8.9287 8.9287 9.0036 9.0036 9.0865 9.0865 10.5379 10.5379 10.6022 10.6022 10.9994 10.9994 13.9652 13.9652 14.5207 14.5207 14.6339 14.6339 18.1214 18.1214 k = 0.0389-0.0745-0.1400 ( 2317 PWs) bands (ev): -66.4818 -66.4818 -37.0343 -37.0343 -33.1248 -33.1248 -33.1176 -33.1176 -7.6807 -7.6807 -6.5224 -6.5224 4.0135 4.0135 5.7235 5.7235 5.8328 5.8328 6.9430 6.9430 7.8561 7.8561 8.2169 8.2169 8.3507 8.3507 8.7015 8.7015 8.9077 8.9077 8.9716 8.9716 9.0540 9.0540 10.5639 10.5639 10.6294 10.6294 11.0070 11.0070 13.9819 13.9819 14.4949 14.4949 14.6281 14.6281 18.1713 18.1713 k = 0.0437-0.0838-0.1575 ( 2323 PWs) bands (ev): -66.4817 -66.4817 -37.0349 -37.0349 -33.1254 -33.1254 -33.1185 -33.1185 -7.6708 -7.6708 -6.5250 -6.5250 4.0271 4.0271 5.7079 5.7079 5.8405 5.8405 6.9601 6.9601 7.8563 7.8563 8.2359 8.2359 8.3533 8.3533 8.6930 8.6930 8.8701 8.8701 8.9535 8.9535 9.0209 9.0209 10.5911 10.5911 10.6578 10.6578 11.0160 11.0160 13.9993 13.9993 14.4663 14.4663 14.6230 14.6230 18.2265 18.2265 k = 0.0486-0.0932-0.1750 ( 2325 PWs) bands (ev): -66.4815 -66.4815 -37.0355 -37.0355 -33.1262 -33.1262 -33.1194 -33.1194 -7.6599 -7.6599 -6.5280 -6.5280 4.0422 4.0422 5.6911 5.6911 5.8492 5.8492 6.9788 6.9788 7.8563 7.8563 8.2547 8.2547 8.3561 8.3561 8.6806 8.6806 8.8254 8.8254 8.9413 8.9413 8.9898 8.9898 10.6189 10.6189 10.6873 10.6873 11.0265 11.0265 14.0168 14.0168 14.4356 14.4356 14.6188 14.6188 18.2866 18.2866 k = 0.0535-0.1025-0.1925 ( 2329 PWs) bands (ev): -66.4813 -66.4813 -37.0362 -37.0362 -33.1273 -33.1273 -33.1201 -33.1201 -7.6478 -7.6478 -6.5312 -6.5312 4.0587 4.0587 5.6735 5.6735 5.8587 5.8587 6.9988 6.9988 7.8557 7.8557 8.2724 8.2724 8.3588 8.3588 8.6609 8.6609 8.7829 8.7829 8.9246 8.9246 8.9668 8.9668 10.6468 10.6468 10.7174 10.7174 11.0388 11.0388 14.0339 14.0339 14.4034 14.4034 14.6159 14.6159 18.3512 18.3512 k = 0.0583-0.1118-0.2100 ( 2331 PWs) bands (ev): -66.4811 -66.4811 -37.0369 -37.0369 -33.1288 -33.1288 -33.1207 -33.1207 -7.6348 -7.6348 -6.5346 -6.5346 4.0766 4.0766 5.6552 5.6552 5.8690 5.8690 7.0199 7.0199 7.8545 7.8545 8.2881 8.2881 8.3604 8.3604 8.6312 8.6312 8.7482 8.7482 8.8993 8.8993 8.9561 8.9561 10.6744 10.6744 10.7479 10.7479 11.0528 11.0528 14.0498 14.0498 14.3703 14.3703 14.6145 14.6145 18.4198 18.4198 k = 0.0632-0.1211-0.2275 ( 2337 PWs) bands (ev): -66.4809 -66.4809 -37.0377 -37.0377 -33.1305 -33.1305 -33.1211 -33.1211 -7.6207 -7.6207 -6.5384 -6.5384 4.0959 4.0959 5.6365 5.6365 5.8800 5.8800 7.0419 7.0419 7.8526 7.8526 8.3006 8.3006 8.3592 8.3592 8.5942 8.5942 8.7206 8.7206 8.8730 8.8730 8.9520 8.9520 10.7011 10.7011 10.7790 10.7790 11.0687 11.0687 14.0635 14.0635 14.3367 14.3367 14.6152 14.6152 18.4922 18.4922 k = 0.0680-0.1304-0.2450 ( 2339 PWs) bands (ev): -66.4807 -66.4807 -37.0385 -37.0385 -33.1324 -33.1324 -33.1215 -33.1215 -7.6057 -7.6057 -6.5423 -6.5423 4.1164 4.1164 5.6178 5.6178 5.8915 5.8915 7.0643 7.0643 7.8498 7.8498 8.3089 8.3089 8.3518 8.3518 8.5581 8.5581 8.6943 8.6943 8.8520 8.8520 8.9512 8.9512 10.7265 10.7265 10.8105 10.8105 11.0867 11.0867 14.0744 14.0744 14.3033 14.3033 14.6184 14.6184 18.5679 18.5679 k = 0.0729-0.1397-0.2625 ( 2339 PWs) bands (ev): -66.4804 -66.4804 -37.0394 -37.0394 -33.1346 -33.1346 -33.1217 -33.1217 -7.5898 -7.5898 -6.5465 -6.5465 4.1381 4.1381 5.5991 5.5991 5.9034 5.9034 7.0870 7.0870 7.8460 7.8460 8.3096 8.3096 8.3362 8.3362 8.5318 8.5318 8.6648 8.6648 8.8390 8.8390 8.9527 8.9527 10.7500 10.7500 10.8426 10.8426 11.1067 11.1067 14.0815 14.0815 14.2706 14.2706 14.6245 14.6245 18.6467 18.6467 k = 0.0777-0.1491-0.2800 ( 2343 PWs) bands (ev): -66.4802 -66.4802 -37.0403 -37.0403 -33.1369 -33.1369 -33.1220 -33.1220 -7.5730 -7.5730 -6.5508 -6.5508 4.1610 4.1610 5.5806 5.5806 5.9157 5.9157 7.1092 7.1092 7.8411 7.8411 8.2885 8.2885 8.3246 8.3246 8.5185 8.5185 8.6321 8.6321 8.8338 8.8338 8.9565 8.9565 10.7716 10.7716 10.8753 10.8753 11.1286 11.1286 14.0840 14.0840 14.2393 14.2393 14.6338 14.6338 18.7284 18.7284 k = 0.0826-0.1584-0.2975 ( 2343 PWs) bands (ev): -66.4799 -66.4799 -37.0413 -37.0413 -33.1394 -33.1394 -33.1222 -33.1222 -7.5554 -7.5554 -6.5554 -6.5554 4.1849 4.1849 5.5626 5.5626 5.9282 5.9282 7.1306 7.1306 7.8349 7.8349 8.2473 8.2473 8.3190 8.3190 8.5133 8.5133 8.6002 8.6002 8.8345 8.8345 8.9629 8.9629 10.7913 10.7913 10.9085 10.9085 11.1525 11.1525 14.0813 14.0813 14.2099 14.2099 14.6465 14.6465 18.8125 18.8125 k = 0.0875-0.1677-0.3150 ( 2341 PWs) bands (ev): -66.4796 -66.4796 -37.0423 -37.0423 -33.1420 -33.1420 -33.1224 -33.1224 -7.5370 -7.5370 -6.5601 -6.5601 4.2099 4.2099 5.5451 5.5451 5.9407 5.9407 7.1504 7.1504 7.8273 7.8273 8.1996 8.1996 8.3112 8.3112 8.5027 8.5027 8.5800 8.5800 8.8388 8.8388 8.9723 8.9723 10.8091 10.8091 10.9421 10.9421 11.1781 11.1781 14.0731 14.0731 14.1828 14.1828 14.6627 14.6627 18.8989 18.8989 k = 0.0923-0.1770-0.3325 ( 2347 PWs) bands (ev): -66.4793 -66.4793 -37.0434 -37.0434 -33.1447 -33.1447 -33.1225 -33.1225 -7.5179 -7.5179 -6.5650 -6.5650 4.2358 4.2358 5.5284 5.5284 5.9531 5.9531 7.1679 7.1679 7.8180 7.8180 8.1510 8.1510 8.2998 8.2998 8.4753 8.4753 8.5813 8.5813 8.8447 8.8447 8.9848 8.9848 10.8252 10.8252 10.9759 10.9759 11.2051 11.2051 14.0597 14.0597 14.1580 14.1580 14.6820 14.6820 18.9874 18.9874 k = 0.0972-0.1863-0.3500 ( 2349 PWs) bands (ev): -66.4790 -66.4790 -37.0445 -37.0445 -33.1475 -33.1475 -33.1227 -33.1227 -7.4980 -7.4980 -6.5700 -6.5700 4.2626 4.2626 5.5126 5.5126 5.9653 5.9653 7.1822 7.1822 7.8071 7.8071 8.1047 8.1047 8.2842 8.2842 8.4384 8.4384 8.5970 8.5970 8.8512 8.8512 9.0007 9.0007 10.8400 10.8400 11.0098 11.0098 11.2334 11.2334 14.0423 14.0423 14.1349 14.1349 14.7043 14.7043 19.0777 19.0777 k = 0.1020-0.1956-0.3675 ( 2351 PWs) bands (ev): -66.4787 -66.4787 -37.0456 -37.0456 -33.1504 -33.1504 -33.1229 -33.1229 -7.4775 -7.4775 -6.5751 -6.5751 4.2901 4.2901 5.4977 5.4977 5.9771 5.9771 7.1923 7.1923 7.7945 7.7945 8.0625 8.0625 8.2642 8.2642 8.3996 8.3996 8.6198 8.6198 8.8573 8.8573 9.0196 9.0196 10.8537 10.8537 11.0438 11.0438 11.2628 11.2628 14.0223 14.0223 14.1126 14.1126 14.7289 14.7289 19.1697 19.1697 k = 0.1069-0.2050-0.3850 ( 2351 PWs) bands (ev): -66.4783 -66.4783 -37.0468 -37.0468 -33.1534 -33.1534 -33.1231 -33.1231 -7.4565 -7.4565 -6.5803 -6.5803 4.3184 4.3184 5.4840 5.4840 5.9883 5.9883 7.1972 7.1972 7.7804 7.7804 8.0260 8.0260 8.2394 8.2394 8.3622 8.3622 8.6472 8.6472 8.8630 8.8630 9.0410 9.0410 10.8665 10.8665 11.0776 11.0776 11.2930 11.2930 14.0011 14.0011 14.0902 14.0902 14.7556 14.7556 19.2632 19.2632 k = 0.1118-0.2143-0.4025 ( 2349 PWs) bands (ev): -66.4780 -66.4780 -37.0480 -37.0480 -33.1564 -33.1564 -33.1232 -33.1232 -7.4349 -7.4349 -6.5857 -6.5857 4.3474 4.3474 5.4714 5.4714 5.9987 5.9987 7.1960 7.1960 7.7649 7.7649 7.9959 7.9959 8.2098 8.2098 8.3280 8.3280 8.6781 8.6781 8.8682 8.8682 9.0643 9.0643 10.8788 10.8788 11.1111 11.1111 11.3239 11.3239 13.9796 13.9796 14.0674 14.0674 14.7839 14.7839 19.3581 19.3581 k = 0.1166-0.2236-0.4200 ( 2349 PWs) bands (ev): -66.4776 -66.4776 -37.0492 -37.0492 -33.1595 -33.1595 -33.1234 -33.1234 -7.4129 -7.4129 -6.5910 -6.5910 4.3769 4.3769 5.4601 5.4601 6.0081 6.0081 7.1883 7.1883 7.7483 7.7483 7.9724 7.9724 8.1762 8.1762 8.2974 8.2974 8.7120 8.7120 8.8732 8.8732 9.0890 9.0890 10.8908 10.8908 11.1442 11.1442 11.3551 11.3551 13.9584 13.9584 14.0440 14.0440 14.8135 14.8135 19.4542 19.4542 k = 0.1215-0.2329-0.4375 ( 2353 PWs) bands (ev): -66.4773 -66.4773 -37.0504 -37.0504 -33.1626 -33.1626 -33.1236 -33.1236 -7.3904 -7.3904 -6.5964 -6.5964 4.4068 4.4068 5.4501 5.4501 6.0163 6.0163 7.1739 7.1739 7.7309 7.7309 7.9549 7.9549 8.1399 8.1399 8.2702 8.2702 8.7484 8.7484 8.8781 8.8781 9.1143 9.1143 10.9026 10.9026 11.1768 11.1768 11.3866 11.3866 13.9375 13.9375 14.0205 14.0205 14.8440 14.8440 19.5514 19.5514 k = 0.1263-0.2422-0.4550 ( 2353 PWs) bands (ev): -66.4769 -66.4769 -37.0517 -37.0517 -33.1658 -33.1658 -33.1238 -33.1238 -7.3676 -7.3676 -6.6019 -6.6019 4.4372 4.4372 5.4415 5.4415 6.0231 6.0231 7.1535 7.1535 7.7125 7.7125 7.9426 7.9426 8.1030 8.1030 8.2458 8.2458 8.7869 8.7869 8.8833 8.8833 9.1401 9.1401 10.9145 10.9145 11.2088 11.2088 11.4182 11.4182 13.9167 13.9167 13.9976 13.9976 14.8752 14.8752 19.6496 19.6496 k = 0.1312-0.2515-0.4725 ( 2351 PWs) bands (ev): -66.4765 -66.4765 -37.0529 -37.0529 -33.1690 -33.1690 -33.1241 -33.1241 -7.3445 -7.3445 -6.6073 -6.6073 4.4678 4.4678 5.4343 5.4343 6.0282 6.0282 7.1280 7.1280 7.6926 7.6926 7.9338 7.9338 8.0673 8.0673 8.2240 8.2240 8.8261 8.8261 8.8901 8.8901 9.1660 9.1660 10.9267 10.9267 11.2402 11.2402 11.4496 11.4496 13.8951 13.8951 13.9764 13.9764 14.9068 14.9068 19.7487 19.7487 k = 0.1361-0.2609-0.4900 ( 2351 PWs) bands (ev): -66.4762 -66.4762 -37.0542 -37.0542 -33.1722 -33.1722 -33.1243 -33.1243 -7.3212 -7.3212 -6.6127 -6.6127 4.4988 4.4988 5.4286 5.4286 6.0315 6.0315 7.0986 7.0986 7.6706 7.6706 7.9261 7.9261 8.0351 8.0351 8.2049 8.2049 8.8616 8.8616 8.9025 8.9025 9.1916 9.1916 10.9394 10.9394 11.2708 11.2708 11.4808 11.4808 13.8721 13.8721 13.9579 13.9579 14.9389 14.9389 19.8486 19.8486 k = 0.1409-0.2702-0.5075 ( 2347 PWs) bands (ev): -66.4758 -66.4758 -37.0555 -37.0555 -33.1754 -33.1754 -33.1246 -33.1246 -7.2977 -7.2977 -6.6181 -6.6181 4.5299 4.5299 5.4243 5.4243 6.0328 6.0328 7.0667 7.0667 7.6461 7.6461 7.9159 7.9159 8.0093 8.0093 8.1892 8.1892 8.8821 8.8821 8.9315 8.9315 9.2171 9.2171 10.9527 10.9527 11.3006 11.3006 11.5116 11.5116 13.8471 13.8471 13.9431 13.9431 14.9712 14.9712 19.9492 19.9492 k = 0.1458-0.2795-0.5250 ( 2351 PWs) bands (ev): -66.4754 -66.4754 -37.0568 -37.0568 -33.1787 -33.1787 -33.1248 -33.1248 -7.2741 -7.2741 -6.6234 -6.6234 4.5610 4.5610 5.4216 5.4216 6.0319 6.0319 7.0334 7.0334 7.6185 7.6185 7.8997 7.8997 7.9918 7.9918 8.1777 8.1777 8.8913 8.8913 8.9731 8.9731 9.2423 9.2423 10.9669 10.9669 11.3294 11.3294 11.5416 11.5416 13.8200 13.8200 13.9321 13.9321 15.0037 15.0037 20.0505 20.0505 k = 0.1506-0.2888-0.5425 ( 2349 PWs) bands (ev): -66.4750 -66.4750 -37.0581 -37.0581 -33.1818 -33.1818 -33.1251 -33.1251 -7.2505 -7.2505 -6.6286 -6.6286 4.5922 4.5922 5.4203 5.4203 6.0286 6.0286 6.9998 6.9998 7.5880 7.5880 7.8777 7.8777 7.9809 7.9809 8.1713 8.1713 8.8978 8.8978 9.0182 9.0182 9.2674 9.2674 10.9820 10.9820 11.3572 11.3572 11.5709 11.5709 13.7913 13.7913 13.9249 13.9249 15.0364 15.0364 20.1523 20.1523 k = 0.1555-0.2981-0.5600 ( 2345 PWs) bands (ev): -66.4746 -66.4746 -37.0594 -37.0594 -33.1850 -33.1850 -33.1254 -33.1254 -7.2269 -7.2269 -6.6337 -6.6337 4.6233 4.6233 5.4206 5.4206 6.0229 6.0229 6.9667 6.9667 7.5547 7.5547 7.8524 7.8524 7.9728 7.9728 8.1709 8.1709 8.9036 8.9036 9.0640 9.0640 9.2929 9.2929 10.9983 10.9983 11.3839 11.3839 11.5990 11.5990 13.7619 13.7619 13.9209 13.9209 15.0692 15.0692 20.2546 20.2546 k = 0.1604-0.3074-0.5774 ( 2341 PWs) bands (ev): -66.4743 -66.4743 -37.0607 -37.0607 -33.1881 -33.1881 -33.1258 -33.1258 -7.2034 -7.2034 -6.6387 -6.6387 4.6542 4.6542 5.4224 5.4224 6.0149 6.0149 6.9346 6.9346 7.5189 7.5189 7.8261 7.8261 7.9646 7.9646 8.1764 8.1764 8.9093 8.9093 9.1092 9.1092 9.3191 9.3191 11.0159 11.0159 11.4095 11.4095 11.6258 11.6258 13.7321 13.7321 13.9196 13.9196 15.1024 15.1024 20.3573 20.3573 k = 0.1652-0.3168-0.5949 ( 2343 PWs) bands (ev): -66.4739 -66.4739 -37.0620 -37.0620 -33.1912 -33.1912 -33.1261 -33.1261 -7.1800 -7.1800 -6.6436 -6.6436 4.6849 4.6849 5.4256 5.4256 6.0045 6.0045 6.9041 6.9041 7.4812 7.4812 7.7995 7.7995 7.9554 7.9554 8.1870 8.1870 8.9149 8.9149 9.1523 9.1523 9.3468 9.3468 11.0350 11.0350 11.4339 11.4339 11.6510 11.6510 13.7027 13.7027 13.9207 13.9207 15.1359 15.1359 20.4602 20.4602 k = 0.1701-0.3261-0.6124 ( 2341 PWs) bands (ev): -66.4735 -66.4735 -37.0633 -37.0633 -33.1943 -33.1943 -33.1265 -33.1265 -7.1569 -7.1569 -6.6482 -6.6482 4.7153 4.7153 5.4302 5.4302 5.9920 5.9920 6.8752 6.8752 7.4420 7.4420 7.7728 7.7728 7.9454 7.9454 8.2016 8.2016 8.9207 8.9207 9.1922 9.1922 9.3770 9.3770 11.0558 11.0558 11.4571 11.4571 11.6745 11.6745 13.6741 13.6741 13.9240 13.9240 15.1698 15.1698 20.5632 20.5632 k = 0.1749-0.3354-0.6299 ( 2341 PWs) bands (ev): -66.4732 -66.4732 -37.0646 -37.0646 -33.1973 -33.1973 -33.1269 -33.1269 -7.1341 -7.1341 -6.6528 -6.6528 4.7453 4.7453 5.4363 5.4363 5.9775 5.9775 6.8481 6.8481 7.4019 7.4019 7.7460 7.7460 7.9352 7.9352 8.2193 8.2193 8.9265 8.9265 9.2275 9.2275 9.4105 9.4105 11.0783 11.0783 11.4788 11.4788 11.6958 11.6958 13.6469 13.6469 13.9291 13.9291 15.2043 15.2043 20.6659 20.6659 k = 0.1798-0.3447-0.6474 ( 2341 PWs) bands (ev): -66.4728 -66.4728 -37.0658 -37.0658 -33.2002 -33.2002 -33.1273 -33.1273 -7.1116 -7.1116 -6.6571 -6.6571 4.7748 4.7748 5.4438 5.4438 5.9613 5.9613 6.8226 6.8226 7.3612 7.3612 7.7192 7.7192 7.9253 7.9253 8.2390 8.2390 8.9324 8.9324 9.2575 9.2575 9.4476 9.4476 11.1027 11.1027 11.4991 11.4991 11.7146 11.7146 13.6215 13.6215 13.9358 13.9358 15.2395 15.2395 20.7680 20.7680 k = 0.1847-0.3540-0.6649 ( 2341 PWs) bands (ev): -66.4724 -66.4724 -37.0671 -37.0671 -33.2031 -33.2031 -33.1277 -33.1277 -7.0896 -7.0896 -6.6612 -6.6612 4.8039 4.8039 5.4525 5.4525 5.9439 5.9439 6.7987 6.7987 7.3205 7.3205 7.6921 7.6921 7.9161 7.9161 8.2600 8.2600 8.9384 8.9384 9.2825 9.2825 9.4879 9.4879 11.1292 11.1292 11.5179 11.5179 11.7309 11.7309 13.5986 13.5986 13.9439 13.9439 15.2755 15.2755 20.8685 20.8685 k = 0.1895-0.3633-0.6824 ( 2339 PWs) bands (ev): -66.4721 -66.4721 -37.0683 -37.0683 -33.2059 -33.2059 -33.1281 -33.1281 -7.0680 -7.0680 -6.6650 -6.6650 4.8324 4.8324 5.4624 5.4624 5.9255 5.9255 6.7760 6.7760 7.2800 7.2800 7.6649 7.6649 7.9080 7.9080 8.2817 8.2817 8.9444 8.9444 9.3031 9.3031 9.5305 9.5305 11.1576 11.1576 11.5349 11.5349 11.7442 11.7442 13.5786 13.5786 13.9530 13.9530 15.3126 15.3126 20.9652 20.9652 k = 0.1944-0.3727-0.6999 ( 2343 PWs) bands (ev): -66.4718 -66.4718 -37.0695 -37.0695 -33.2086 -33.2086 -33.1286 -33.1286 -7.0469 -7.0469 -6.6686 -6.6686 4.8603 4.8603 5.4735 5.4735 5.9064 5.9064 6.7544 6.7544 7.2400 7.2400 7.6375 7.6375 7.9009 7.9009 8.3038 8.3038 8.9502 8.9502 9.3201 9.3201 9.5744 9.5744 11.1880 11.1880 11.5500 11.5500 11.7546 11.7546 13.5617 13.5617 13.9630 13.9630 15.3509 15.3509 21.0522 21.0522 k = 0.1992-0.3820-0.7174 ( 2341 PWs) bands (ev): -66.4714 -66.4714 -37.0706 -37.0706 -33.2112 -33.2112 -33.1290 -33.1290 -7.0264 -7.0264 -6.6720 -6.6720 4.8876 4.8876 5.4857 5.4857 5.8873 5.8873 6.7335 6.7335 7.2008 7.2008 7.6101 7.6101 7.8951 7.8951 8.3259 8.3259 8.9560 8.9560 9.3342 9.3342 9.6185 9.6185 11.2203 11.2203 11.5629 11.5629 11.7622 11.7622 13.5486 13.5486 13.9735 13.9735 15.3907 15.3907 21.1145 21.1145 k = 0.2041-0.3913-0.7349 ( 2339 PWs) bands (ev): -66.4711 -66.4711 -37.0717 -37.0717 -33.2137 -33.2137 -33.1295 -33.1295 -7.0066 -7.0066 -6.6751 -6.6751 4.9142 4.9142 5.4988 5.4988 5.8684 5.8684 6.7131 6.7131 7.1627 7.1627 7.5826 7.5826 7.8906 7.8906 8.3478 8.3478 8.9616 8.9616 9.3460 9.3460 9.6624 9.6624 11.2543 11.2543 11.5732 11.5732 11.7672 11.7672 13.5395 13.5395 13.9844 13.9844 15.4322 15.4322 21.1434 21.1434 k = 0.2089-0.4006-0.7524 ( 2339 PWs) bands (ev): -66.4708 -66.4708 -37.0729 -37.0729 -33.2161 -33.2161 -33.1300 -33.1300 -6.9875 -6.9875 -6.6779 -6.6779 4.9400 4.9400 5.5128 5.5128 5.8500 5.8500 6.6929 6.6929 7.1257 7.1257 7.5552 7.5552 7.8874 7.8874 8.3691 8.3691 8.9669 8.9669 9.3559 9.3559 9.7054 9.7054 11.2899 11.2899 11.5805 11.5805 11.7699 11.7699 13.5346 13.5346 13.9955 13.9955 15.4757 15.4757 21.1477 21.1477 k = 0.2138-0.4099-0.7699 ( 2345 PWs) bands (ev): -66.4705 -66.4705 -37.0739 -37.0739 -33.2185 -33.2185 -33.1305 -33.1305 -6.9691 -6.9691 -6.6803 -6.6803 4.9650 4.9650 5.5275 5.5275 5.8324 5.8324 6.6726 6.6726 7.0902 7.0902 7.5279 7.5279 7.8855 7.8855 8.3897 8.3897 8.9718 8.9718 9.3642 9.3642 9.7471 9.7471 11.3265 11.3265 11.5839 11.5839 11.7712 11.7712 13.5340 13.5340 14.0064 14.0064 15.5214 15.5214 21.1307 21.1307 k = 0.2187-0.4192-0.7874 ( 2341 PWs) bands (ev): -66.4702 -66.4702 -37.0750 -37.0750 -33.2207 -33.2207 -33.1310 -33.1310 -6.9515 -6.9515 -6.6825 -6.6825 4.9891 4.9891 5.5428 5.5428 5.8160 5.8160 6.6521 6.6521 7.0564 7.0564 7.5010 7.5010 7.8850 7.8850 8.4096 8.4096 8.9763 8.9763 9.3713 9.3713 9.7874 9.7874 11.3638 11.3638 11.5832 11.5832 11.7720 11.7720 13.5377 13.5377 14.0172 14.0172 15.5696 15.5696 21.0849 21.0849 k = 0.2235-0.4286-0.8049 ( 2343 PWs) bands (ev): -66.4699 -66.4699 -37.0759 -37.0759 -33.2228 -33.2228 -33.1316 -33.1316 -6.9347 -6.9347 -6.6844 -6.6844 5.0125 5.0125 5.5585 5.5585 5.8010 5.8010 6.6312 6.6312 7.0244 7.0244 7.4744 7.4744 7.8856 7.8856 8.4284 8.4284 8.9802 8.9802 9.3772 9.3772 9.8263 9.8263 11.4005 11.4005 11.5782 11.5782 11.7733 11.7733 13.5457 13.5457 14.0274 14.0274 15.6205 15.6205 20.9954 20.9954 k = 0.2284-0.4379-0.8224 ( 2351 PWs) bands (ev): -66.4696 -66.4696 -37.0769 -37.0769 -33.2248 -33.2248 -33.1321 -33.1321 -6.9188 -6.9188 -6.6859 -6.6859 5.0349 5.0349 5.5744 5.5744 5.7875 5.7875 6.6096 6.6096 6.9943 6.9943 7.4483 7.4483 7.8875 7.8875 8.4461 8.4461 8.9835 8.9835 9.3820 9.3820 9.8634 9.8634 11.4345 11.4345 11.5700 11.5700 11.7757 11.7757 13.5577 13.5577 14.0372 14.0372 15.6745 15.6745 20.8673 20.8673 k = 0.2332-0.4472-0.8399 ( 2351 PWs) bands (ev): -66.4694 -66.4694 -37.0778 -37.0778 -33.2267 -33.2267 -33.1327 -33.1327 -6.9039 -6.9039 -6.6871 -6.6871 5.0564 5.0564 5.5904 5.5904 5.7759 5.7759 6.5874 6.5874 6.9665 6.9665 7.4228 7.4228 7.8907 7.8907 8.4626 8.4626 8.9862 8.9862 9.3860 9.3860 9.8992 9.8992 11.4605 11.4605 11.5639 11.5639 11.7799 11.7799 13.5735 13.5735 14.0463 14.0463 15.7319 15.7319 20.7215 20.7215 k = 0.2381-0.4565-0.8574 ( 2353 PWs) bands (ev): -66.4691 -66.4691 -37.0787 -37.0787 -33.2284 -33.2284 -33.1332 -33.1332 -6.8898 -6.8898 -6.6879 -6.6879 5.0770 5.0770 5.6063 5.6063 5.7661 5.7661 6.5644 6.5644 6.9410 6.9410 7.3979 7.3979 7.8951 7.8951 8.4777 8.4777 8.9880 8.9880 9.3892 9.3892 9.9335 9.9335 11.4675 11.4675 11.5704 11.5704 11.7859 11.7859 13.5926 13.5926 14.0546 14.0546 15.7929 15.7929 20.5691 20.5691 k = 0.2430-0.4658-0.8749 ( 2347 PWs) bands (ev): -66.4689 -66.4689 -37.0795 -37.0795 -33.2301 -33.2301 -33.1338 -33.1338 -6.8767 -6.8767 -6.6884 -6.6884 5.0967 5.0967 5.6219 5.6219 5.7584 5.7584 6.5406 6.5406 6.9181 6.9181 7.3737 7.3737 7.9008 7.9008 8.4914 8.4914 8.9891 8.9891 9.3916 9.3916 9.9664 9.9664 11.4526 11.4526 11.5926 11.5926 11.7941 11.7941 13.6147 13.6147 14.0621 14.0621 15.8577 15.8577 20.4141 20.4141 k = 0.2478-0.4751-0.8924 ( 2347 PWs) bands (ev): -66.4686 -66.4686 -37.0803 -37.0803 -33.2316 -33.2316 -33.1343 -33.1343 -6.8647 -6.8647 -6.6885 -6.6885 5.1153 5.1153 5.6370 5.6370 5.7529 5.7529 6.5161 6.5161 6.8979 6.8979 7.3504 7.3504 7.9076 7.9076 8.5035 8.5035 8.9891 8.9891 9.3933 9.3933 9.9981 9.9981 11.4248 11.4248 11.6211 11.6211 11.8045 11.8045 13.6392 13.6392 14.0685 14.0685 15.9267 15.9267 20.2584 20.2584 k = 0.2527-0.4845-0.9099 ( 2345 PWs) bands (ev): -66.4684 -66.4684 -37.0810 -37.0810 -33.2330 -33.2330 -33.1349 -33.1349 -6.8536 -6.8536 -6.6883 -6.6883 5.1328 5.1328 5.6514 5.6514 5.7495 5.7495 6.4908 6.4908 6.8805 6.8805 7.3278 7.3278 7.9155 7.9155 8.5140 8.5140 8.9882 8.9882 9.3944 9.3944 10.0287 10.0287 11.3903 11.3903 11.6496 11.6496 11.8176 11.8176 13.6657 13.6657 14.0740 14.0740 16.0000 16.0000 20.1028 20.1028 k = 0.2575-0.4938-0.9274 ( 2343 PWs) bands (ev): -66.4682 -66.4682 -37.0817 -37.0817 -33.2343 -33.2343 -33.1354 -33.1354 -6.8435 -6.8435 -6.6877 -6.6877 5.1493 5.1493 5.6649 5.6649 5.7484 5.7484 6.4648 6.4648 6.8660 6.8660 7.3063 7.3063 7.9245 7.9245 8.5228 8.5228 8.9861 8.9861 9.3948 9.3948 10.0582 10.0582 11.3518 11.3518 11.6750 11.6750 11.8338 11.8338 13.6936 13.6936 14.0786 14.0786 16.0778 16.0778 19.9476 19.9476 k = 0.2624-0.5031-0.9449 ( 2345 PWs) bands (ev): -66.4680 -66.4680 -37.0824 -37.0824 -33.2355 -33.2355 -33.1360 -33.1360 -6.8345 -6.8345 -6.6868 -6.6868 5.1645 5.1645 5.6773 5.6773 5.7496 5.7496 6.4382 6.4382 6.8546 6.8546 7.2857 7.2857 7.9345 7.9345 8.5298 8.5298 8.9830 8.9830 9.3945 9.3945 10.0868 10.0868 11.3106 11.3106 11.6962 11.6962 11.8533 11.8533 13.7225 13.7225 14.0822 14.0822 16.1602 16.1602 19.7933 19.7933 k = 0.2673-0.5124-0.9624 ( 2351 PWs) bands (ev): -66.4679 -66.4679 -37.0830 -37.0830 -33.2366 -33.2366 -33.1365 -33.1365 -6.8266 -6.8266 -6.6855 -6.6855 5.1785 5.1785 5.6887 5.6887 5.7528 5.7528 6.4113 6.4113 6.8463 6.8463 7.2663 7.2663 7.9455 7.9455 8.5350 8.5350 8.9786 8.9786 9.3937 9.3937 10.1145 10.1145 11.2677 11.2677 11.7126 11.7126 11.8756 11.8756 13.7520 13.7520 14.0847 14.0847 16.2472 16.2472 19.6400 19.6400 k = 0.2721-0.5217-0.9799 ( 2347 PWs) bands (ev): -66.4677 -66.4677 -37.0835 -37.0835 -33.2375 -33.2375 -33.1371 -33.1371 -6.8196 -6.8196 -6.6839 -6.6839 5.1912 5.1912 5.6990 5.6990 5.7578 5.7578 6.3841 6.3841 6.8411 6.8411 7.2482 7.2482 7.9574 7.9574 8.5385 8.5385 8.9731 8.9731 9.3924 9.3924 10.1414 10.1414 11.2241 11.2241 11.7250 11.7250 11.9001 11.9001 13.7817 13.7817 14.0865 14.0865 16.3389 16.3389 19.4877 19.4877 k = 0.2770-0.5310-0.9974 ( 2347 PWs) bands (ev): -66.4676 -66.4676 -37.0840 -37.0840 -33.2384 -33.2384 -33.1376 -33.1376 -6.8138 -6.8138 -6.6820 -6.6820 5.2024 5.2024 5.7083 5.7083 5.7644 5.7644 6.3572 6.3572 6.8388 6.8388 7.2313 7.2313 7.9701 7.9701 8.5402 8.5402 8.9663 8.9663 9.3905 9.3905 10.1677 10.1677 11.1803 11.1803 11.7338 11.7338 11.9254 11.9254 13.8111 13.8111 14.0874 14.0874 16.4352 16.4352 19.3366 19.3366 k = 0.2818-0.5404-1.0149 ( 2345 PWs) bands (ev): -66.4674 -66.4674 -37.0845 -37.0845 -33.2391 -33.2391 -33.1380 -33.1380 -6.8089 -6.8089 -6.6797 -6.6797 5.2122 5.2122 5.7168 5.7168 5.7722 5.7722 6.3308 6.3308 6.8395 6.8395 7.2160 7.2160 7.9836 7.9836 8.5401 8.5401 8.9584 8.9584 9.3879 9.3879 10.1928 10.1928 11.1369 11.1369 11.7399 11.7399 11.9507 11.9507 13.8401 13.8401 14.0877 14.0877 16.5359 16.5359 19.1867 19.1867 k = 0.2867-0.5497-1.0324 ( 2351 PWs) bands (ev): -66.4673 -66.4673 -37.0849 -37.0849 -33.2398 -33.2398 -33.1385 -33.1385 -6.8050 -6.8050 -6.6771 -6.6771 5.2202 5.2202 5.7243 5.7243 5.7806 5.7806 6.3054 6.3054 6.8427 6.8427 7.2024 7.2024 7.9976 7.9976 8.5384 8.5384 8.9491 8.9491 9.3848 9.3848 10.2168 10.2168 11.0944 11.0944 11.7437 11.7437 11.9751 11.9751 13.8683 13.8683 14.0873 14.0873 16.6408 16.6408 19.0381 19.0381 k = 0.2916-0.5590-1.0499 ( 2351 PWs) bands (ev): -66.4672 -66.4672 -37.0852 -37.0852 -33.2404 -33.2404 -33.1389 -33.1389 -6.8022 -6.8022 -6.6743 -6.6743 5.2266 5.2266 5.7309 5.7309 5.7895 5.7895 6.2820 6.2820 6.8483 6.8483 7.1907 7.1907 8.0121 8.0121 8.5352 8.5352 8.9387 8.9387 9.3811 9.3811 10.2396 10.2396 11.0537 11.0537 11.7459 11.7459 11.9983 11.9983 13.8954 13.8954 14.0865 14.0865 16.7495 16.7495 18.8909 18.8909 k = 0.2964-0.5683-1.0674 ( 2353 PWs) bands (ev): -66.4671 -66.4671 -37.0855 -37.0855 -33.2408 -33.2408 -33.1393 -33.1393 -6.8003 -6.8003 -6.6711 -6.6711 5.2312 5.2312 5.7365 5.7365 5.7979 5.7979 6.2614 6.2614 6.8557 6.8557 7.1813 7.1813 8.0268 8.0268 8.5307 8.5307 8.9270 8.9270 9.3768 9.3768 10.2609 10.2609 11.0152 11.0152 11.7464 11.7464 12.0199 12.0199 13.9212 13.9212 14.0854 14.0854 16.8617 16.8617 18.7452 18.7452 k = 0.3013-0.5776-1.0849 ( 2353 PWs) bands (ev): -66.4671 -66.4671 -37.0858 -37.0858 -33.2412 -33.2412 -33.1397 -33.1397 -6.7993 -6.7993 -6.6677 -6.6677 5.2338 5.2338 5.7411 5.7411 5.8051 5.8051 6.2447 6.2447 6.8643 6.8643 7.1745 7.1745 8.0415 8.0415 8.5251 8.5251 8.9142 8.9142 9.3718 9.3718 10.2803 10.2803 10.9795 10.9795 11.7457 11.7457 12.0397 12.0397 13.9456 13.9456 14.0841 14.0841 16.9766 16.9766 18.6010 18.6010 k = 0.3061-0.5869-1.1024 ( 2359 PWs) bands (ev): -66.4670 -66.4670 -37.0861 -37.0861 -33.2416 -33.2416 -33.1400 -33.1400 -6.7993 -6.7993 -6.6639 -6.6639 5.2345 5.2345 5.7447 5.7447 5.8099 5.8099 6.2333 6.2333 6.8736 6.8736 7.1706 7.1706 8.0557 8.0557 8.5187 8.5187 8.9003 8.9003 9.3662 9.3662 10.2975 10.2975 10.9474 10.9474 11.7437 11.7437 12.0574 12.0574 13.9685 13.9685 14.0829 14.0829 17.0938 17.0938 18.4584 18.4584 k = 0.3110-0.5963-1.1199 ( 2355 PWs) bands (ev): -66.4669 -66.4669 -37.0862 -37.0862 -33.2418 -33.2418 -33.1403 -33.1403 -6.8002 -6.8002 -6.6600 -6.6600 5.2331 5.2331 5.7474 5.7474 5.8112 5.8112 6.2287 6.2287 6.8828 6.8828 7.1705 7.1705 8.0692 8.0692 8.5120 8.5120 8.8855 8.8855 9.3600 9.3600 10.3118 10.3118 10.9196 10.9196 11.7406 11.7406 12.0732 12.0732 13.9897 13.9897 14.0820 14.0820 17.2124 17.2124 18.3177 18.3177 k = 0.3158-0.6056-1.1374 ( 2353 PWs) bands (ev): -66.4669 -66.4669 -37.0864 -37.0864 -33.2420 -33.2420 -33.1405 -33.1405 -6.8019 -6.8019 -6.6557 -6.6557 5.2297 5.2297 5.7492 5.7492 5.8081 5.8081 6.2317 6.2317 6.8911 6.8911 7.1743 7.1743 8.0813 8.0813 8.5054 8.5054 8.8698 8.8698 9.3531 9.3531 10.3227 10.3227 10.8967 10.8967 11.7365 11.7365 12.0869 12.0869 14.0091 14.0091 14.0817 14.0817 17.3310 17.3310 18.1794 18.1794 k = 0.3207-0.6149-1.1549 ( 2357 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2421 -33.2421 -33.1407 -33.1407 -6.8045 -6.8045 -6.6513 -6.6513 5.2241 5.2241 5.7502 5.7502 5.8005 5.8005 6.2429 6.2429 6.8978 6.8978 7.1825 7.1825 8.0914 8.0914 8.4995 8.4995 8.8534 8.8534 9.3454 9.3454 10.3298 10.3298 10.8792 10.8792 11.7314 11.7314 12.0985 12.0985 14.0264 14.0264 14.0822 14.0822 17.4478 17.4478 18.0444 18.0444 k = 0.3256-0.6242-1.1724 ( 2351 PWs) bands (ev): -66.4668 -66.4668 -37.0866 -37.0866 -33.2422 -33.2422 -33.1408 -33.1408 -6.8078 -6.8078 -6.6466 -6.6466 5.2164 5.2164 5.7499 5.7499 5.7894 5.7894 6.2621 6.2621 6.9027 6.9027 7.1952 7.1952 8.0991 8.0991 8.4952 8.4952 8.8365 8.8365 9.3371 9.3371 10.3326 10.3326 10.8677 10.8677 11.7254 11.7254 12.1082 12.1082 14.0413 14.0413 14.0842 14.0842 17.5579 17.5579 17.9169 17.9169 k = 0.3304-0.6335-1.1899 ( 2355 PWs) bands (ev): -66.4668 -66.4668 -37.0866 -37.0866 -33.2422 -33.2422 -33.1409 -33.1409 -6.8119 -6.8119 -6.6418 -6.6418 5.2064 5.2064 5.7461 5.7461 5.7776 5.7776 6.2886 6.2886 6.9055 6.9055 7.2122 7.2122 8.1032 8.1032 8.4929 8.4929 8.8193 8.8193 9.3281 9.3281 10.3312 10.3312 10.8619 10.8619 11.7186 11.7186 12.1158 12.1158 14.0534 14.0534 14.0881 14.0881 17.6351 17.6351 17.8219 17.8219 k = 0.3353-0.6428-1.2074 ( 2355 PWs) bands (ev): -66.4668 -66.4668 -37.0866 -37.0866 -33.2422 -33.2422 -33.1409 -33.1409 -6.8167 -6.8167 -6.6367 -6.6367 5.1942 5.1942 5.7352 5.7352 5.7703 5.7703 6.3213 6.3213 6.9064 6.9064 7.2332 7.2332 8.1036 8.1036 8.4933 8.4933 8.8020 8.8020 9.3184 9.3184 10.3257 10.3257 10.8619 10.8619 11.7109 11.7109 12.1215 12.1215 14.0626 14.0626 14.0944 14.0944 17.5885 17.5885 17.8493 17.8493 k = 0.3401-0.6522-1.2249 ( 2355 PWs) bands (ev): -66.4669 -66.4669 -37.0866 -37.0866 -33.2422 -33.2422 -33.1408 -33.1408 -6.8221 -6.8221 -6.6315 -6.6315 5.1796 5.1796 5.7172 5.7172 5.7684 5.7684 6.3594 6.3594 6.9056 6.9056 7.2575 7.2575 8.0997 8.0997 8.4966 8.4966 8.7849 8.7849 9.3080 9.3080 10.3166 10.3166 10.8671 10.8671 11.7026 11.7026 12.1253 12.1253 14.0695 14.0695 14.1025 14.1025 17.4735 17.4735 17.9425 17.9425 k = 0.6599-0.5296-1.1513 ( 2355 PWs) bands (ev): -66.4669 -66.4669 -37.0866 -37.0866 -33.2422 -33.2422 -33.1408 -33.1408 -6.8221 -6.8221 -6.6315 -6.6315 5.1796 5.1796 5.7172 5.7172 5.7684 5.7684 6.3594 6.3594 6.9056 6.9056 7.2575 7.2575 8.0997 8.0997 8.4966 8.4966 8.7849 8.7849 9.3080 9.3080 10.3166 10.3166 10.8671 10.8671 11.7026 11.7026 12.1253 12.1253 14.0695 14.0695 14.1025 14.1025 17.4735 17.4735 17.9425 17.9425 k = 0.6550-0.5098-1.1513 ( 2359 PWs) bands (ev): -66.4669 -66.4669 -37.0865 -37.0865 -33.2422 -33.2422 -33.1407 -33.1407 -6.8281 -6.8281 -6.6262 -6.6262 5.1629 5.1629 5.6959 5.6959 5.7692 5.7692 6.4018 6.4018 6.9035 6.9035 7.2845 7.2845 8.0913 8.0913 8.5028 8.5028 8.7684 8.7684 9.2969 9.2969 10.3044 10.3044 10.8765 10.8765 11.6937 11.6937 12.1275 12.1275 14.0753 14.0753 14.1112 14.1112 17.3491 17.3491 18.0416 18.0416 k = 0.6502-0.4901-1.1513 ( 2357 PWs) bands (ev): -66.4669 -66.4669 -37.0864 -37.0864 -33.2421 -33.2421 -33.1405 -33.1405 -6.8347 -6.8347 -6.6207 -6.6207 5.1439 5.1439 5.6733 5.6733 5.7714 5.7714 6.4480 6.4480 6.9003 6.9003 7.3137 7.3137 8.0790 8.0790 8.5115 8.5115 8.7530 8.7530 9.2852 9.2852 10.2900 10.2900 10.8896 10.8896 11.6841 11.6841 12.1279 12.1279 14.0813 14.0813 14.1197 14.1197 17.2236 17.2236 18.1373 18.1373 k = 0.6453-0.4703-1.1513 ( 2351 PWs) bands (ev): -66.4669 -66.4669 -37.0863 -37.0863 -33.2420 -33.2420 -33.1403 -33.1403 -6.8417 -6.8417 -6.6151 -6.6151 5.1228 5.1228 5.6504 5.6504 5.7747 5.7747 6.4972 6.4972 6.8963 6.8963 7.3447 7.3447 8.0630 8.0630 8.5217 8.5217 8.7395 8.7395 9.2730 9.2730 10.2741 10.2741 10.9056 10.9056 11.6742 11.6742 12.1268 12.1268 14.0876 14.0876 14.1279 14.1279 17.0988 17.0988 18.2269 18.2269 k = 0.6405-0.4505-1.1513 ( 2351 PWs) bands (ev): -66.4670 -66.4670 -37.0862 -37.0862 -33.2419 -33.2419 -33.1400 -33.1400 -6.8492 -6.8492 -6.6094 -6.6094 5.0996 5.0996 5.6279 5.6279 5.7789 5.7789 6.5489 6.5489 6.8918 6.8918 7.3768 7.3768 8.0440 8.0440 8.5320 8.5320 8.7288 8.7288 9.2602 9.2602 10.2569 10.2569 10.9235 10.9235 11.6638 11.6638 12.1241 12.1241 14.0945 14.0945 14.1356 14.1356 16.9755 16.9755 18.3093 18.3093 k = 0.6356-0.4308-1.1513 ( 2351 PWs) bands (ev): -66.4670 -66.4670 -37.0860 -37.0860 -33.2419 -33.2419 -33.1396 -33.1396 -6.8571 -6.8571 -6.6037 -6.6037 5.0745 5.0745 5.6061 5.6061 5.7840 5.7840 6.6027 6.6027 6.8867 6.8867 7.4097 7.4097 8.0227 8.0227 8.5407 8.5407 8.7221 8.7221 9.2471 9.2471 10.2390 10.2390 10.9430 10.9430 11.6530 11.6530 12.1201 12.1201 14.1019 14.1019 14.1431 14.1431 16.8539 16.8539 18.3840 18.3840 k = 0.6308-0.4110-1.1513 ( 2353 PWs) bands (ev): -66.4671 -66.4671 -37.0859 -37.0859 -33.2418 -33.2418 -33.1391 -33.1391 -6.8653 -6.8653 -6.5979 -6.5979 5.0476 5.0476 5.5851 5.5851 5.7901 5.7901 6.6579 6.6579 6.8814 6.8814 7.4431 7.4431 7.9999 7.9999 8.5459 8.5459 8.7209 8.7209 9.2336 9.2336 10.2208 10.2208 10.9634 10.9634 11.6419 11.6419 12.1148 12.1148 14.1092 14.1092 14.1511 14.1511 16.7343 16.7343 18.4508 18.4508 k = 0.6259-0.3913-1.1513 ( 2349 PWs) bands (ev): -66.4671 -66.4671 -37.0857 -37.0857 -33.2417 -33.2417 -33.1386 -33.1386 -6.8738 -6.8738 -6.5921 -6.5921 5.0193 5.0193 5.5652 5.5652 5.7971 5.7971 6.7142 6.7142 6.8759 6.8759 7.4764 7.4764 7.9763 7.9763 8.5464 8.5464 8.7261 8.7261 9.2200 9.2200 10.2025 10.2025 10.9844 10.9844 11.6307 11.6307 12.1083 12.1083 14.1159 14.1159 14.1601 14.1601 16.6169 16.6169 18.5100 18.5100 k = 0.6211-0.3715-1.1513 ( 2347 PWs) bands (ev): -66.4672 -66.4672 -37.0854 -37.0854 -33.2417 -33.2417 -33.1381 -33.1381 -6.8826 -6.8826 -6.5863 -6.5863 4.9898 4.9898 5.5463 5.5463 5.8052 5.8052 6.7705 6.7705 6.8706 6.8706 7.5095 7.5095 7.9527 7.9527 8.5423 8.5423 8.7372 8.7372 9.2064 9.2064 10.1842 10.1842 11.0055 11.0055 11.6194 11.6194 12.1007 12.1007 14.1212 14.1212 14.1711 14.1711 16.5018 16.5018 18.5620 18.5620 k = 0.6163-0.3517-1.1513 ( 2341 PWs) bands (ev): -66.4672 -66.4672 -37.0852 -37.0852 -33.2416 -33.2416 -33.1374 -33.1374 -6.8914 -6.8914 -6.5805 -6.5805 4.9593 4.9593 5.5285 5.5285 5.8142 5.8142 6.8247 6.8247 6.8672 6.8672 7.5421 7.5421 7.9298 7.9298 8.5343 8.5343 8.7529 8.7529 9.1932 9.1932 10.1660 10.1660 11.0265 11.0265 11.6081 11.6081 12.0922 12.0922 14.1250 14.1250 14.1843 14.1843 16.3892 16.3892 18.6075 18.6075 k = 0.6114-0.3320-1.1513 ( 2335 PWs) bands (ev): -66.4673 -66.4673 -37.0850 -37.0850 -33.2416 -33.2416 -33.1368 -33.1368 -6.9004 -6.9004 -6.5747 -6.5747 4.9281 4.9281 5.5116 5.5116 5.8242 5.8242 6.8509 6.8509 6.8909 6.8909 7.5737 7.5737 7.9086 7.9086 8.5238 8.5238 8.7715 8.7715 9.1808 9.1808 10.1482 10.1482 11.0470 11.0470 11.5969 11.5969 12.0829 12.0829 14.1270 14.1270 14.1998 14.1998 16.2791 16.2791 18.6471 18.6471 k = 0.6066-0.3122-1.1513 ( 2337 PWs) bands (ev): -66.4673 -66.4673 -37.0847 -37.0847 -33.2416 -33.2416 -33.1361 -33.1361 -6.9095 -6.9095 -6.5691 -6.5691 4.8965 4.8965 5.4957 5.4957 5.8353 5.8353 6.8473 6.8473 6.9427 6.9427 7.6040 7.6040 7.8899 7.8899 8.5116 8.5116 8.7915 8.7915 9.1692 9.1692 10.1306 10.1306 11.0668 11.0668 11.5858 11.5858 12.0729 12.0729 14.1276 14.1276 14.2172 14.2172 16.1718 16.1718 18.6815 18.6815 k = 0.6017-0.2924-1.1513 ( 2341 PWs) bands (ev): -66.4674 -66.4674 -37.0845 -37.0845 -33.2416 -33.2416 -33.1353 -33.1353 -6.9186 -6.9186 -6.5635 -6.5635 4.8646 4.8646 5.4808 5.4808 5.8472 5.8472 6.8409 6.8409 6.9947 6.9947 7.6326 7.6326 7.8748 7.8748 8.4985 8.4985 8.8115 8.8115 9.1593 9.1593 10.1133 10.1133 11.0858 11.0858 11.5749 11.5749 12.0623 12.0623 14.1271 14.1271 14.2364 14.2364 16.0673 16.0673 18.7114 18.7114 k = 0.5969-0.2727-1.1513 ( 2349 PWs) bands (ev): -66.4675 -66.4675 -37.0843 -37.0843 -33.2416 -33.2416 -33.1345 -33.1345 -6.9277 -6.9277 -6.5579 -6.5579 4.8329 4.8329 5.4668 5.4668 5.8601 5.8601 6.8338 6.8338 7.0438 7.0438 7.6595 7.6595 7.8644 7.8644 8.4850 8.4850 8.8303 8.8303 9.1518 9.1518 10.0963 10.0963 11.1035 11.1035 11.5642 11.5642 12.0513 12.0513 14.1256 14.1256 14.2571 14.2571 15.9658 15.9658 18.7374 18.7374 k = 0.5920-0.2529-1.1513 ( 2351 PWs) bands (ev): -66.4676 -66.4676 -37.0840 -37.0840 -33.2417 -33.2417 -33.1337 -33.1337 -6.9366 -6.9366 -6.5526 -6.5526 4.8014 4.8014 5.4536 5.4536 5.8739 5.8739 6.8264 6.8264 7.0885 7.0885 7.6844 7.6844 7.8597 7.8597 8.4716 8.4716 8.8469 8.8469 9.1472 9.1472 10.0797 10.0797 11.1201 11.1201 11.5539 11.5539 12.0401 12.0401 14.1234 14.1234 14.2792 14.2792 15.8676 15.8676 18.7601 18.7601 k = 0.5872-0.2332-1.1513 ( 2349 PWs) bands (ev): -66.4677 -66.4677 -37.0838 -37.0838 -33.2417 -33.2417 -33.1329 -33.1329 -6.9454 -6.9454 -6.5473 -6.5473 4.7704 4.7704 5.4411 5.4411 5.8885 5.8885 6.8186 6.8186 7.1277 7.1277 7.7081 7.7081 7.8614 7.8614 8.4583 8.4583 8.8604 8.8604 9.1463 9.1463 10.0634 10.0634 11.1353 11.1353 11.5440 11.5440 12.0288 12.0288 14.1205 14.1205 14.3024 14.3024 15.7726 15.7726 18.7799 18.7799 k = 0.5823-0.2134-1.1513 ( 2351 PWs) bands (ev): -66.4678 -66.4678 -37.0835 -37.0835 -33.2418 -33.2418 -33.1321 -33.1321 -6.9541 -6.9541 -6.5423 -6.5423 4.7402 4.7402 5.4294 5.4294 5.9039 5.9039 6.8104 6.8104 7.1601 7.1601 7.7313 7.7313 7.8692 7.8692 8.4454 8.4454 8.8699 8.8699 9.1496 9.1496 10.0475 10.0475 11.1490 11.1490 11.5345 11.5345 12.0176 12.0176 14.1171 14.1171 14.3266 14.3266 15.6811 15.6811 18.7973 18.7973 k = 0.5775-0.1936-1.1513 ( 2352 PWs) bands (ev): -66.4679 -66.4679 -37.0833 -37.0833 -33.2419 -33.2419 -33.1313 -33.1313 -6.9625 -6.9625 -6.5374 -6.5374 4.7108 4.7108 5.4184 5.4184 5.9199 5.9199 6.8018 6.8018 7.1852 7.1852 7.7554 7.7554 7.8820 7.8820 8.4331 8.4331 8.8753 8.8753 9.1573 9.1573 10.0318 10.0318 11.1612 11.1612 11.5254 11.5254 12.0067 12.0067 14.1134 14.1134 14.3514 14.3514 15.5933 15.5933 18.8126 18.8126 k = 0.5727-0.1739-1.1513 ( 2352 PWs) bands (ev): -66.4679 -66.4679 -37.0830 -37.0830 -33.2420 -33.2420 -33.1304 -33.1304 -6.9706 -6.9706 -6.5327 -6.5327 4.6825 4.6825 5.4081 5.4081 5.9366 5.9366 6.7929 6.7929 7.2026 7.2026 7.7815 7.7815 7.8990 7.8990 8.4213 8.4213 8.8769 8.8769 9.1688 9.1688 10.0165 10.0165 11.1717 11.1717 11.5169 11.5169 11.9961 11.9961 14.1094 14.1094 14.3768 14.3768 15.5093 15.5093 18.8260 18.8260 k = 0.5678-0.1541-1.1513 ( 2356 PWs) bands (ev): -66.4680 -66.4680 -37.0828 -37.0828 -33.2421 -33.2421 -33.1296 -33.1296 -6.9784 -6.9784 -6.5282 -6.5282 4.6554 4.6554 5.3985 5.3985 5.9537 5.9537 6.7837 6.7837 7.2129 7.2129 7.8094 7.8094 7.9193 7.9193 8.4103 8.4103 8.8753 8.8753 9.1835 9.1835 10.0015 10.0015 11.1805 11.1805 11.5088 11.5088 11.9861 11.9861 14.1051 14.1051 14.4024 14.4024 15.4292 15.4292 18.8378 18.8378 k = 0.5630-0.1344-1.1513 ( 2354 PWs) bands (ev): -66.4681 -66.4681 -37.0826 -37.0826 -33.2422 -33.2422 -33.1288 -33.1288 -6.9858 -6.9858 -6.5240 -6.5240 4.6296 4.6296 5.3896 5.3896 5.9712 5.9712 6.7742 6.7742 7.2173 7.2173 7.8380 7.8380 7.9428 7.9428 8.4001 8.4001 8.8714 8.8714 9.2004 9.2004 9.9869 9.9869 11.1877 11.1877 11.5014 11.5014 11.9768 11.9768 14.1008 14.1008 14.4281 14.4281 15.3533 15.3533 18.8482 18.8482 k = 0.5581-0.1146-1.1513 ( 2350 PWs) bands (ev): -66.4681 -66.4681 -37.0824 -37.0824 -33.2423 -33.2423 -33.1280 -33.1280 -6.9928 -6.9928 -6.5200 -6.5200 4.6052 4.6052 5.3813 5.3813 5.9888 5.9888 6.7645 6.7645 7.2170 7.2170 7.8656 7.8656 7.9695 7.9695 8.3909 8.3909 8.8660 8.8660 9.2187 9.2187 9.9727 9.9727 11.1933 11.1933 11.4945 11.4945 11.9681 11.9681 14.0964 14.0964 14.4537 14.4537 15.2817 15.2817 18.8575 18.8575 k = 0.5533-0.0948-1.1513 ( 2350 PWs) bands (ev): -66.4682 -66.4682 -37.0822 -37.0822 -33.2424 -33.2424 -33.1273 -33.1273 -6.9995 -6.9995 -6.5162 -6.5162 4.5825 4.5825 5.3737 5.3737 6.0065 6.0065 6.7545 6.7545 7.2132 7.2132 7.8904 7.8904 7.9994 7.9994 8.3828 8.3828 8.8596 8.8596 9.2375 9.2375 9.9589 9.9589 11.1974 11.1974 11.4881 11.4881 11.9603 11.9603 14.0921 14.0921 14.4788 14.4788 15.2146 15.2146 18.8656 18.8656 k = 0.5484-0.0751-1.1513 ( 2356 PWs) bands (ev): -66.4683 -66.4683 -37.0820 -37.0820 -33.2425 -33.2425 -33.1266 -33.1266 -7.0056 -7.0056 -6.5128 -6.5128 4.5614 4.5614 5.3667 5.3667 6.0239 6.0239 6.7445 6.7445 7.2070 7.2070 7.9117 7.9117 8.0318 8.0318 8.3758 8.3758 8.8527 8.8527 9.2561 9.2561 9.9456 9.9456 11.2001 11.2001 11.4822 11.4822 11.9533 11.9533 14.0880 14.0880 14.5033 14.5033 15.1520 15.1520 18.8727 18.8727 k = 0.5436-0.0553-1.1513 ( 2356 PWs) bands (ev): -66.4683 -66.4683 -37.0818 -37.0818 -33.2426 -33.2426 -33.1259 -33.1259 -7.0113 -7.0113 -6.5096 -6.5096 4.5420 4.5420 5.3603 5.3603 6.0410 6.0410 6.7344 6.7344 7.1994 7.1994 7.9295 7.9295 8.0653 8.0653 8.3703 8.3703 8.8458 8.8458 9.2741 9.2741 9.9329 9.9329 11.2015 11.2015 11.4769 11.4769 11.9472 11.9472 14.0840 14.0840 14.5271 14.5271 15.0942 15.0942 18.8789 18.8789 k = 0.5388-0.0355-1.1513 ( 2348 PWs) bands (ev): -66.4684 -66.4684 -37.0816 -37.0816 -33.2427 -33.2427 -33.1253 -33.1253 -7.0164 -7.0164 -6.5068 -6.5068 4.5245 4.5245 5.3547 5.3547 6.0574 6.0574 6.7246 6.7246 7.1913 7.1913 7.9443 7.9443 8.0982 8.0982 8.3665 8.3665 8.8395 8.8395 9.2912 9.2912 9.9210 9.9210 11.2020 11.2020 11.4722 11.4722 11.9420 11.9420 14.0803 14.0803 14.5500 14.5500 15.0413 15.0413 18.8843 18.8843 k = 0.5339-0.0158-1.1513 ( 2348 PWs) bands (ev): -66.4684 -66.4684 -37.0815 -37.0815 -33.2427 -33.2427 -33.1248 -33.1248 -7.0210 -7.0210 -6.5042 -6.5042 4.5089 4.5089 5.3497 5.3497 6.0730 6.0730 6.7151 6.7151 7.1830 7.1830 7.9566 7.9566 8.1287 8.1287 8.3644 8.3644 8.8334 8.8334 9.3068 9.3068 9.9100 9.9100 11.2017 11.2017 11.4681 11.4681 11.9376 11.9376 14.0769 14.0769 14.5715 14.5715 14.9932 14.9932 18.8890 18.8890 k = 0.5291 0.0040-1.1513 ( 2348 PWs) bands (ev): -66.4685 -66.4685 -37.0814 -37.0814 -33.2428 -33.2428 -33.1243 -33.1243 -7.0250 -7.0250 -6.5020 -6.5020 4.4953 4.4953 5.3453 5.3453 6.0873 6.0873 6.7061 6.7061 7.1751 7.1751 7.9667 7.9667 8.1557 8.1557 8.3644 8.3644 8.8279 8.8279 9.3207 9.3207 9.8999 9.8999 11.2009 11.2009 11.4645 11.4645 11.9339 11.9339 14.0738 14.0738 14.5918 14.5918 14.9503 14.9503 18.8929 18.8929 k = 0.5242 0.0237-1.1513 ( 2346 PWs) bands (ev): -66.4685 -66.4685 -37.0812 -37.0812 -33.2429 -33.2429 -33.1239 -33.1239 -7.0284 -7.0284 -6.5001 -6.5001 4.4837 4.4837 5.3416 5.3416 6.1002 6.1002 6.6980 6.6980 7.1679 7.1679 7.9748 7.9748 8.1781 8.1781 8.3663 8.3663 8.8232 8.8232 9.3328 9.3328 9.8911 9.8911 11.1996 11.1996 11.4615 11.4615 11.9310 11.9310 14.0712 14.0712 14.6106 14.6106 14.9124 14.9124 18.8962 18.8962 k = 0.5194 0.0435-1.1513 ( 2352 PWs) bands (ev): -66.4685 -66.4685 -37.0812 -37.0812 -33.2430 -33.2430 -33.1236 -33.1236 -7.0313 -7.0313 -6.4985 -6.4985 4.4741 4.4741 5.3386 5.3386 6.1112 6.1112 6.6908 6.6908 7.1617 7.1617 7.9812 7.9812 8.1956 8.1956 8.3699 8.3699 8.8192 8.8192 9.3427 9.3427 9.8835 9.8835 11.1983 11.1983 11.4589 11.4589 11.9287 11.9287 14.0689 14.0689 14.6276 14.6276 14.8799 14.8799 18.8989 18.8989 k = 0.5145 0.0633-1.1513 ( 2350 PWs) bands (ev): -66.4685 -66.4685 -37.0811 -37.0811 -33.2430 -33.2430 -33.1233 -33.1233 -7.0335 -7.0335 -6.4973 -6.4973 4.4666 4.4666 5.3362 5.3362 6.1202 6.1202 6.6849 6.6849 7.1568 7.1568 7.9861 7.9861 8.2082 8.2082 8.3744 8.3744 8.8161 8.8161 9.3506 9.3506 9.8775 9.8775 11.1970 11.1970 11.4570 11.4570 11.9269 11.9269 14.0672 14.0672 14.6425 14.6425 14.8530 14.8530 18.9009 18.9009 k = 0.5097 0.0830-1.1513 ( 2350 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1231 -33.1231 -7.0351 -7.0351 -6.4964 -6.4964 4.4612 4.4612 5.3345 5.3345 6.1269 6.1269 6.6805 6.6805 7.1531 7.1531 7.9895 7.9895 8.2165 8.2165 8.3787 8.3787 8.8139 8.8139 9.3563 9.3563 9.8731 9.8731 11.1960 11.1960 11.4557 11.4557 11.9258 11.9258 14.0659 14.0659 14.6546 14.6546 14.8323 14.8323 18.9023 18.9023 k = 0.5048 0.1028-1.1513 ( 2346 PWs) bands (ev): -66.4685 -66.4685 -37.0810 -37.0810 -33.2431 -33.2431 -33.1230 -33.1230 -7.0360 -7.0360 -6.4959 -6.4959 4.4580 4.4580 5.3335 5.3335 6.1309 6.1309 6.6778 6.6778 7.1509 7.1509 7.9915 7.9915 8.2211 8.2211 8.3818 8.3818 8.8125 8.8125 9.3599 9.3599 9.8704 9.8704 11.1954 11.1954 11.4549 11.4549 11.9251 11.9251 14.0652 14.0652 14.6628 14.6628 14.8191 14.8191 18.9032 18.9032 k = 0.5000 0.1226-1.1513 ( 2344 PWs) bands (ev): -66.4685 -66.4685 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -7.0363 -7.0363 -6.4957 -6.4957 4.4570 4.4570 5.3332 5.3332 6.1323 6.1323 6.6769 6.6769 7.1502 7.1502 7.9921 7.9921 8.2225 8.2225 8.3829 8.3829 8.8121 8.8121 9.3611 9.3611 9.8695 9.8695 11.1952 11.1952 11.4547 11.4547 11.9248 11.9248 14.0649 14.0649 14.6657 14.6657 14.8144 14.8144 18.9035 18.9035 k = 0.5000 0.1226-1.1513 ( 2344 PWs) bands (ev): -66.4685 -66.4685 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -7.0363 -7.0363 -6.4957 -6.4957 4.4570 4.4570 5.3332 5.3332 6.1323 6.1323 6.6769 6.6769 7.1502 7.1502 7.9921 7.9921 8.2225 8.2225 8.3829 8.3829 8.8121 8.8121 9.3611 9.3611 9.8695 9.8695 11.1952 11.1952 11.4547 11.4547 11.9248 11.9248 14.0649 14.0649 14.6657 14.6657 14.8144 14.8144 18.9035 18.9035 k = 0.5178 0.1269-1.1431 ( 2346 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -7.0359 -7.0359 -6.4963 -6.4963 4.4585 4.4585 5.3332 5.3332 6.1331 6.1331 6.6770 6.6770 7.1499 7.1499 7.9669 7.9669 8.2446 8.2446 8.3741 8.3741 8.8214 8.8214 9.3613 9.3613 9.8715 9.8715 11.1946 11.1946 11.4546 11.4546 11.9245 11.9245 14.0641 14.0641 14.6648 14.6648 14.8151 14.8151 18.9014 18.9014 k = 0.5355 0.1313-1.1349 ( 2344 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -7.0346 -7.0346 -6.4979 -6.4979 4.4631 4.4631 5.3332 5.3332 6.1356 6.1356 6.6772 6.6772 7.1493 7.1493 7.9087 7.9087 8.2900 8.2900 8.3537 8.3537 8.8471 8.8471 9.3621 9.3621 9.8775 9.8775 11.1930 11.1930 11.4543 11.4543 11.9235 11.9235 14.0619 14.0619 14.6620 14.6620 14.8173 14.8173 18.8953 18.8953 k = 0.5533 0.1356-1.1268 ( 2342 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -7.0325 -7.0325 -6.5006 -6.5006 4.4708 4.4708 5.3333 5.3333 6.1396 6.1396 6.6774 6.6774 7.1480 7.1480 7.8370 7.8370 8.2946 8.2946 8.3708 8.3708 8.8843 8.8843 9.3635 9.3635 9.8875 9.8875 11.1903 11.1903 11.4539 11.4539 11.9218 11.9218 14.0583 14.0583 14.6575 14.6575 14.8207 14.8207 18.8852 18.8852 k = 0.5710 0.1400-1.1186 ( 2342 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2430 -33.2430 -33.1229 -33.1229 -7.0295 -7.0295 -6.5044 -6.5044 4.4816 4.4816 5.3333 5.3333 6.1452 6.1452 6.6778 6.6778 7.1461 7.1461 7.7595 7.7595 8.2526 8.2526 8.4283 8.4283 8.9285 8.9285 9.3655 9.3655 9.9015 9.9015 11.1864 11.1864 11.4533 11.4533 11.9193 11.9193 14.0537 14.0537 14.6512 14.6512 14.8251 14.8251 18.8717 18.8717 k = 0.5888 0.1443-1.1104 ( 2342 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2429 -33.2429 -33.1229 -33.1229 -7.0256 -7.0256 -6.5092 -6.5092 4.4953 4.4953 5.3333 5.3333 6.1524 6.1524 6.6783 6.6783 7.1430 7.1430 7.6797 7.6797 8.2021 8.2021 8.4885 8.4885 8.9763 8.9763 9.3682 9.3682 9.9192 9.9192 11.1815 11.1815 11.4525 11.4525 11.9163 11.9163 14.0482 14.0482 14.6434 14.6434 14.8301 14.8301 18.8551 18.8551 k = 0.6066 0.1487-1.1022 ( 2346 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2428 -33.2428 -33.1229 -33.1229 -7.0210 -7.0210 -6.5150 -6.5150 4.5119 4.5119 5.3334 5.3334 6.1610 6.1610 6.6788 6.6788 7.1384 7.1384 7.5994 7.5994 8.1480 8.1480 8.5470 8.5470 9.0256 9.0256 9.3717 9.3717 9.9406 9.9406 11.1754 11.1754 11.4516 11.4516 11.9126 11.9126 14.0423 14.0423 14.6342 14.6342 14.8354 14.8354 18.8358 18.8358 k = 0.6243 0.1530-1.0941 ( 2350 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2428 -33.2428 -33.1229 -33.1229 -7.0156 -7.0156 -6.5217 -6.5217 4.5314 4.5314 5.3335 5.3335 6.1711 6.1711 6.6793 6.6793 7.1313 7.1313 7.5205 7.5205 8.0922 8.0922 8.6026 8.6026 9.0746 9.0746 9.3765 9.3765 9.9654 9.9654 11.1681 11.1681 11.4507 11.4507 11.9084 11.9084 14.0362 14.0362 14.6237 14.6237 14.8408 14.8408 18.8145 18.8145 k = 0.6421 0.1574-1.0859 ( 2350 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2427 -33.2427 -33.1229 -33.1229 -7.0094 -7.0094 -6.5294 -6.5294 4.5536 4.5536 5.3336 5.3336 6.1825 6.1825 6.6797 6.6797 7.1201 7.1201 7.4452 7.4452 8.0358 8.0358 8.6549 8.6549 9.1219 9.1219 9.3829 9.3829 9.9934 9.9934 11.1597 11.1597 11.4497 11.4497 11.9038 11.9038 14.0304 14.0304 14.6121 14.6121 14.8457 14.8457 18.7917 18.7917 k = 0.6599 0.1617-1.0777 ( 2355 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2426 -33.2426 -33.1229 -33.1229 -7.0025 -7.0025 -6.5380 -6.5380 4.5784 4.5784 5.3337 5.3337 6.1954 6.1954 6.6800 6.6800 7.1019 7.1019 7.3768 7.3768 7.9794 7.9794 8.7037 8.7037 9.1661 9.1661 9.3917 9.3917 10.0240 10.0240 11.1502 11.1502 11.4486 11.4486 11.8986 11.8986 14.0251 14.0251 14.5996 14.5996 14.8500 14.8500 18.7677 18.7677 k = 0.6599 0.1617-1.0777 ( 2355 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2426 -33.2426 -33.1229 -33.1229 -7.0025 -7.0025 -6.5380 -6.5380 4.5784 4.5784 5.3337 5.3337 6.1954 6.1954 6.6800 6.6800 7.1019 7.1019 7.3768 7.3768 7.9794 7.9794 8.7037 8.7037 9.1661 9.1661 9.3917 9.3917 10.0240 10.0240 11.1502 11.1502 11.4486 11.4486 11.8986 11.8986 14.0251 14.0251 14.5996 14.5996 14.8500 14.8500 18.7677 18.7677 k = 0.6570 0.1611-1.0575 ( 2353 PWs) bands (ev): -66.4687 -66.4687 -37.0806 -37.0806 -33.2420 -33.2420 -33.1229 -33.1229 -7.0006 -7.0006 -6.5436 -6.5436 4.5889 4.5889 5.3282 5.3282 6.2001 6.2001 6.7045 6.7045 7.0915 7.0915 7.3573 7.3573 7.9615 7.9615 8.7018 8.7018 9.1755 9.1755 9.3910 9.3910 10.0432 10.0432 11.1318 11.1318 11.4489 11.4489 11.8953 11.8953 13.9629 13.9629 14.5937 14.5937 14.8962 14.8962 18.8282 18.8282 k = 0.6542 0.1604-1.0373 ( 2357 PWs) bands (ev): -66.4688 -66.4688 -37.0803 -37.0803 -33.2414 -33.2414 -33.1229 -33.1229 -6.9986 -6.9986 -6.5503 -6.5503 4.6007 4.6007 5.3242 5.3242 6.2052 6.2052 6.7273 6.7273 7.0791 7.0791 7.3408 7.3408 7.9433 7.9433 8.7001 8.7001 9.1831 9.1831 9.3891 9.3891 10.0625 10.0625 11.1129 11.1129 11.4495 11.4495 11.8894 11.8894 13.8859 13.8859 14.5875 14.5875 14.9551 14.9551 18.8993 18.8993 k = 0.6514 0.1597-1.0171 ( 2355 PWs) bands (ev): -66.4689 -66.4689 -37.0800 -37.0800 -33.2405 -33.2405 -33.1229 -33.1229 -6.9966 -6.9966 -6.5581 -6.5581 4.6138 4.6138 5.3219 5.3219 6.2107 6.2107 6.7480 6.7480 7.0643 7.0643 7.3277 7.3277 7.9247 7.9247 8.6988 8.6988 9.1891 9.1891 9.3867 9.3867 10.0819 10.0819 11.0931 11.0931 11.4507 11.4507 11.8810 11.8810 13.8008 13.8008 14.5807 14.5807 15.0203 15.0203 18.9809 18.9809 k = 0.6486 0.1590-0.9969 ( 2355 PWs) bands (ev): -66.4690 -66.4690 -37.0796 -37.0796 -33.2395 -33.2395 -33.1229 -33.1229 -6.9946 -6.9946 -6.5671 -6.5671 4.6278 4.6278 5.3215 5.3215 6.2165 6.2165 6.7661 6.7661 7.0472 7.0472 7.3184 7.3184 7.9058 7.9058 8.6980 8.6980 9.1930 9.1930 9.3837 9.3837 10.1013 10.1013 11.0722 11.0722 11.4522 11.4522 11.8701 11.8701 13.7126 13.7126 14.5732 14.5732 15.0878 15.0878 19.0726 19.0726 k = 0.6458 0.1583-0.9767 ( 2356 PWs) bands (ev): -66.4691 -66.4691 -37.0791 -37.0791 -33.2383 -33.2383 -33.1229 -33.1229 -6.9925 -6.9925 -6.5771 -6.5771 4.6426 4.6426 5.3232 5.3232 6.2226 6.2226 6.7806 6.7806 7.0283 7.0283 7.3131 7.3131 7.8868 7.8868 8.6977 8.6977 9.1947 9.1947 9.3804 9.3804 10.1206 10.1206 11.0496 11.0496 11.4540 11.4540 11.8570 11.8570 13.6243 13.6243 14.5650 14.5650 15.1550 15.1550 19.1743 19.1743 k = 0.6430 0.1576-0.9565 ( 2347 PWs) bands (ev): -66.4692 -66.4692 -37.0786 -37.0786 -33.2369 -33.2369 -33.1229 -33.1229 -6.9904 -6.9904 -6.5882 -6.5882 4.6579 4.6579 5.3276 5.3276 6.2290 6.2290 6.7906 6.7906 7.0089 7.0089 7.3118 7.3118 7.8677 7.8677 8.6980 8.6980 9.1940 9.1940 9.3773 9.3773 10.1398 10.1398 11.0248 11.0248 11.4561 11.4561 11.8422 11.8422 13.5384 13.5384 14.5562 14.5562 15.2201 15.2201 19.2854 19.2854 k = 0.6402 0.1569-0.9363 ( 2351 PWs) bands (ev): -66.4694 -66.4694 -37.0780 -37.0780 -33.2354 -33.2354 -33.1229 -33.1229 -6.9883 -6.9883 -6.6002 -6.6002 4.6734 4.6734 5.3348 5.3348 6.2355 6.2355 6.7943 6.7943 6.9908 6.9908 7.3137 7.3137 7.8483 7.8483 8.6990 8.6990 9.1908 9.1908 9.3744 9.3744 10.1585 10.1585 10.9971 10.9971 11.4582 11.4582 11.8261 11.8261 13.4561 13.4561 14.5468 14.5468 15.2821 15.2821 19.4055 19.4055 k = 0.6374 0.1562-0.9161 ( 2349 PWs) bands (ev): -66.4696 -66.4696 -37.0773 -37.0773 -33.2337 -33.2337 -33.1229 -33.1229 -6.9863 -6.9863 -6.6131 -6.6131 4.6889 4.6889 5.3452 5.3452 6.2422 6.2422 6.7899 6.7899 6.9761 6.9761 7.3188 7.3188 7.8290 7.8290 8.7009 8.7009 9.1849 9.1849 9.3721 9.3721 10.1766 10.1766 10.9659 10.9659 11.4606 11.4606 11.8095 11.8095 13.3787 13.3787 14.5368 14.5368 15.3403 15.3403 19.5338 19.5338 k = 0.6346 0.1556-0.8959 ( 2349 PWs) bands (ev): -66.4698 -66.4698 -37.0766 -37.0766 -33.2319 -33.2319 -33.1229 -33.1229 -6.9844 -6.9844 -6.6268 -6.6268 4.7040 4.7040 5.3592 5.3592 6.2490 6.2490 6.7762 6.7762 6.9664 6.9664 7.3263 7.3263 7.8098 7.8098 8.7036 8.7036 9.1764 9.1764 9.3705 9.3705 10.1937 10.1937 10.9306 10.9306 11.4630 11.4630 11.7934 11.7934 13.3069 13.3069 14.5263 14.5263 15.3943 15.3943 19.6688 19.6688 k = 0.6318 0.1549-0.8757 ( 2353 PWs) bands (ev): -66.4700 -66.4700 -37.0758 -37.0758 -33.2300 -33.2300 -33.1229 -33.1229 -6.9827 -6.9827 -6.6413 -6.6413 4.7185 4.7185 5.3770 5.3770 6.2558 6.2558 6.7536 6.7536 6.9616 6.9616 7.3358 7.3358 7.7908 7.7908 8.7072 8.7072 9.1654 9.1654 9.3697 9.3697 10.2094 10.2094 10.8910 10.8910 11.4655 11.4655 11.7783 11.7783 13.2411 13.2411 14.5154 14.5154 15.4437 15.4437 19.8075 19.8075 k = 0.6290 0.1542-0.8555 ( 2351 PWs) bands (ev): -66.4703 -66.4703 -37.0750 -37.0750 -33.2278 -33.2278 -33.1229 -33.1229 -6.9812 -6.9812 -6.6563 -6.6563 4.7321 4.7321 5.3989 5.3989 6.2625 6.2625 6.7240 6.7240 6.9605 6.9605 7.3471 7.3471 7.7722 7.7722 8.7117 8.7117 9.1520 9.1520 9.3697 9.3697 10.2228 10.2228 10.8470 10.8470 11.4682 11.4682 11.7653 11.7653 13.1817 13.1817 14.5042 14.5042 15.4887 15.4887 19.9410 19.9410 k = 0.6262 0.1535-0.8353 ( 2351 PWs) bands (ev): -66.4705 -66.4705 -37.0741 -37.0741 -33.2256 -33.2256 -33.1229 -33.1229 -6.9801 -6.9801 -6.6717 -6.6717 4.7448 4.7448 5.4249 5.4249 6.2690 6.2690 6.6891 6.6891 6.9613 6.9613 7.3596 7.3596 7.7541 7.7541 8.7172 8.7172 9.1365 9.1365 9.3706 9.3706 10.2329 10.2329 10.7995 10.7995 11.4711 11.4711 11.7545 11.7545 13.1285 13.1285 14.4927 14.4927 15.5292 15.5292 20.0367 20.0367 k = 0.6234 0.1528-0.8151 ( 2352 PWs) bands (ev): -66.4708 -66.4708 -37.0732 -37.0732 -33.2232 -33.2232 -33.1229 -33.1229 -6.9795 -6.9795 -6.6874 -6.6874 4.7565 4.7565 5.4551 5.4551 6.2752 6.2752 6.6507 6.6507 6.9628 6.9628 7.3730 7.3730 7.7367 7.7367 8.7237 8.7237 9.1191 9.1191 9.3721 9.3721 10.2379 10.2379 10.7502 10.7502 11.4744 11.4744 11.7464 11.7464 13.0815 13.0815 14.4810 14.4810 15.5652 15.5652 20.0392 20.0392 k = 0.6206 0.1521-0.7949 ( 2352 PWs) bands (ev): -66.4710 -66.4710 -37.0722 -37.0722 -33.2207 -33.2207 -33.1229 -33.1229 -6.9795 -6.9795 -6.7031 -6.7031 4.7672 4.7672 5.4894 5.4894 6.2811 6.2811 6.6097 6.6097 6.9643 6.9643 7.3870 7.3870 7.7202 7.7202 8.7311 8.7311 9.1001 9.1001 9.3745 9.3745 10.2351 10.2351 10.7020 10.7020 11.4778 11.4778 11.7411 11.7411 13.0405 13.0405 14.4692 14.4692 15.5969 15.5969 19.9777 19.9777 k = 0.6178 0.1514-0.7747 ( 2352 PWs) bands (ev): -66.4713 -66.4713 -37.0712 -37.0712 -33.2181 -33.2181 -33.1229 -33.1229 -6.9804 -6.9804 -6.7186 -6.7186 4.7770 4.7770 5.5277 5.5277 6.2863 6.2863 6.5670 6.5670 6.9652 6.9652 7.4014 7.4014 7.7047 7.7047 8.7393 8.7393 9.0800 9.0800 9.3775 9.3775 10.2210 10.2210 10.6587 10.6587 11.4815 11.4815 11.7384 11.7384 13.0053 13.0053 14.4574 14.4574 15.6245 15.6245 19.8941 19.8941 k = 0.6150 0.1507-0.7545 ( 2348 PWs) bands (ev): -66.4716 -66.4716 -37.0701 -37.0701 -33.2154 -33.2154 -33.1228 -33.1228 -6.9824 -6.9824 -6.7336 -6.7336 4.7861 4.7861 5.5696 5.5696 6.2910 6.2910 6.5232 6.5232 6.9652 6.9652 7.4158 7.4158 7.6905 7.6905 8.7482 8.7482 9.0590 9.0590 9.3811 9.3811 10.1922 10.1922 10.6247 10.6247 11.4853 11.4853 11.7382 11.7382 12.9755 12.9755 14.4457 14.4457 15.6481 15.6481 19.8009 19.8009 k = 0.6122 0.1501-0.7343 ( 2352 PWs) bands (ev): -66.4719 -66.4719 -37.0690 -37.0690 -33.2126 -33.2126 -33.1228 -33.1228 -6.9857 -6.9857 -6.7478 -6.7478 4.7947 4.7947 5.6147 5.6147 6.2948 6.2948 6.4790 6.4790 6.9641 6.9641 7.4299 7.4299 7.6779 7.6779 8.7575 8.7575 9.0375 9.0375 9.3853 9.3853 10.1465 10.1465 10.6027 10.6027 11.4889 11.4889 11.7401 11.7401 12.9509 12.9509 14.4342 14.4342 15.6680 15.6680 19.7019 19.7019 k = 0.6094 0.1494-0.7141 ( 2350 PWs) bands (ev): -66.4723 -66.4723 -37.0679 -37.0679 -33.2096 -33.2096 -33.1228 -33.1228 -6.9907 -6.9907 -6.7608 -6.7608 4.8029 4.8029 5.6626 5.6626 6.2975 6.2975 6.4350 6.4350 6.9618 6.9618 7.4437 7.4437 7.6672 7.6672 8.7669 8.7669 9.0161 9.0161 9.3902 9.3902 10.0851 10.0851 10.5921 10.5921 11.4920 11.4920 11.7440 11.7440 12.9314 12.9314 14.4229 14.4229 15.6844 15.6844 19.5986 19.5986 k = 0.6066 0.1487-0.6939 ( 2350 PWs) bands (ev): -66.4726 -66.4726 -37.0668 -37.0668 -33.2066 -33.2066 -33.1228 -33.1228 -6.9976 -6.9976 -6.7723 -6.7723 4.8110 4.8110 5.7125 5.7125 6.2989 6.2989 6.3922 6.3922 6.9582 6.9582 7.4567 7.4567 7.6586 7.6586 8.7755 8.7755 8.9958 8.9958 9.3956 9.3956 10.0111 10.0111 10.5908 10.5908 11.4943 11.4943 11.7495 11.7495 12.9169 12.9169 14.4120 14.4120 15.6974 15.6974 19.4920 19.4920 k = 0.6038 0.1480-0.6737 ( 2351 PWs) bands (ev): -66.4729 -66.4729 -37.0656 -37.0656 -33.2035 -33.2035 -33.1228 -33.1228 -7.0066 -7.0066 -6.7821 -6.7821 4.8193 4.8193 5.7634 5.7634 6.2976 6.2976 6.3526 6.3526 6.9533 6.9533 7.4687 7.4687 7.6525 7.6525 8.7825 8.7825 8.9776 8.9776 9.4017 9.4017 9.9278 9.9278 10.5959 10.5959 11.4955 11.4955 11.7563 11.7563 12.9072 12.9072 14.4016 14.4016 15.7072 15.7072 19.3825 19.3825 k = 0.6010 0.1473-0.6535 ( 2352 PWs) bands (ev): -66.4733 -66.4733 -37.0643 -37.0643 -33.2004 -33.2004 -33.1228 -33.1228 -7.0177 -7.0177 -6.7900 -6.7900 4.8279 4.8279 5.8137 5.8137 6.2890 6.2890 6.3223 6.3223 6.9471 6.9471 7.4795 7.4795 7.6491 7.6491 8.7860 8.7860 8.9633 8.9633 9.4084 9.4084 9.8382 9.8382 10.6051 10.6051 11.4953 11.4953 11.7641 11.7641 12.9022 12.9022 14.3917 14.3917 15.7141 15.7141 19.2706 19.2706 k = 0.5982 0.1466-0.6333 ( 2350 PWs) bands (ev): -66.4736 -66.4736 -37.0631 -37.0631 -33.1972 -33.1972 -33.1227 -33.1227 -7.0311 -7.0311 -6.7960 -6.7960 4.8369 4.8369 5.8607 5.8607 6.2672 6.2672 6.3097 6.3097 6.9394 6.9394 7.4889 7.4889 7.6488 7.6488 8.7842 8.7842 8.9549 8.9549 9.4156 9.4156 9.7445 9.7445 10.6169 10.6169 11.4934 11.4934 11.7727 11.7727 12.9020 12.9020 14.3824 14.3824 15.7182 15.7182 19.1568 19.1568 k = 0.5954 0.1459-0.6131 ( 2356 PWs) bands (ev): -66.4740 -66.4740 -37.0619 -37.0619 -33.1939 -33.1939 -33.1227 -33.1227 -7.0465 -7.0465 -6.8001 -6.8001 4.8466 4.8466 5.8998 5.8998 6.2471 6.2471 6.3042 6.3042 6.9304 6.9304 7.4970 7.4970 7.6514 7.6514 8.7757 8.7757 8.9536 8.9536 9.4231 9.4231 9.6486 9.6486 10.6302 10.6302 11.4897 11.4897 11.7816 11.7816 12.9065 12.9065 14.3737 14.3737 15.7197 15.7197 19.0414 19.0414 k = 0.5925 0.1452-0.5929 ( 2354 PWs) bands (ev): -66.4744 -66.4744 -37.0606 -37.0606 -33.1906 -33.1906 -33.1227 -33.1227 -7.0636 -7.0636 -6.8026 -6.8026 4.8572 4.8572 5.9241 5.9241 6.2421 6.2421 6.2995 6.2995 6.9201 6.9201 7.5039 7.5039 7.6569 7.6569 8.7608 8.7608 8.9592 8.9592 9.4301 9.4301 9.5526 9.5526 10.6443 10.6443 11.4838 11.4838 11.7905 11.7905 12.9159 12.9159 14.3659 14.3659 15.7188 15.7188 18.9247 18.9247 k = 0.5897 0.1446-0.5727 ( 2358 PWs) bands (ev): -66.4747 -66.4747 -37.0593 -37.0593 -33.1873 -33.1873 -33.1227 -33.1227 -7.0822 -7.0822 -6.8037 -6.8037 4.8687 4.8687 5.9284 5.9284 6.2583 6.2583 6.2941 6.2941 6.9085 6.9085 7.5100 7.5100 7.6649 7.6649 8.7407 8.7407 8.9701 8.9701 9.4244 9.4244 9.4701 9.4701 10.6586 10.6586 11.4758 11.4758 11.7992 11.7992 12.9300 12.9300 14.3588 14.3588 15.7155 15.7155 18.8070 18.8070 k = 0.5869 0.1439-0.5525 ( 2358 PWs) bands (ev): -66.4751 -66.4751 -37.0580 -37.0580 -33.1839 -33.1839 -33.1227 -33.1227 -7.1020 -7.1020 -6.8037 -6.8037 4.8813 4.8813 5.9138 5.9138 6.2846 6.2846 6.2981 6.2981 6.8958 6.8958 7.5157 7.5157 7.6750 7.6750 8.7169 8.7169 8.9840 8.9840 9.3487 9.3487 9.4596 9.4596 10.6727 10.6727 11.4655 11.4655 11.8073 11.8073 12.9489 12.9489 14.3525 14.3525 15.7101 15.7101 18.6887 18.6887 k = 0.5841 0.1432-0.5324 ( 2354 PWs) bands (ev): -66.4755 -66.4755 -37.0567 -37.0567 -33.1805 -33.1805 -33.1226 -33.1226 -7.1228 -7.1228 -6.8027 -6.8027 4.8951 4.8951 5.8866 5.8866 6.2783 6.2783 6.3476 6.3476 6.8819 6.8819 7.5214 7.5214 7.6866 7.6866 8.6907 8.6907 8.9980 8.9980 9.2584 9.2584 9.4687 9.4687 10.6865 10.6865 11.4531 11.4531 11.8145 11.8145 12.9724 12.9724 14.3472 14.3472 15.7026 15.7026 18.5700 18.5700 k = 0.5813 0.1425-0.5122 ( 2354 PWs) bands (ev): -66.4758 -66.4758 -37.0555 -37.0555 -33.1771 -33.1771 -33.1226 -33.1226 -7.1442 -7.1442 -6.8009 -6.8009 4.9102 4.9102 5.8523 5.8523 6.2693 6.2693 6.4070 6.4070 6.8671 6.8671 7.5274 7.5274 7.6994 7.6994 8.6622 8.6622 9.0046 9.0046 9.1779 9.1779 9.4802 9.4802 10.6996 10.6996 11.4383 11.4383 11.8207 11.8207 13.0005 13.0005 14.3427 14.3427 15.6933 15.6933 18.4513 18.4513 k = 0.5785 0.1418-0.4920 ( 2350 PWs) bands (ev): -66.4762 -66.4762 -37.0542 -37.0542 -33.1737 -33.1737 -33.1226 -33.1226 -7.1661 -7.1661 -6.7985 -6.7985 4.9266 4.9266 5.8142 5.8142 6.2591 6.2591 6.4714 6.4714 6.8516 6.8516 7.5338 7.5338 7.7130 7.7130 8.6319 8.6319 8.9829 8.9829 9.1297 9.1297 9.4931 9.4931 10.7120 10.7120 11.4213 11.4213 11.8258 11.8258 13.0331 13.0331 14.3392 14.3392 15.6821 15.6821 18.3329 18.3329 k = 0.5757 0.1411-0.4718 ( 2348 PWs) bands (ev): -66.4765 -66.4765 -37.0529 -37.0529 -33.1703 -33.1703 -33.1225 -33.1225 -7.1882 -7.1882 -6.7957 -6.7957 4.9445 4.9445 5.7744 5.7744 6.2477 6.2477 6.5380 6.5380 6.8359 6.8359 7.5409 7.5409 7.7271 7.7271 8.5992 8.5992 8.9211 8.9211 9.1265 9.1265 9.5071 9.5071 10.7233 10.7233 11.4020 11.4020 11.8296 11.8296 13.0698 13.0698 14.3365 14.3365 15.6692 15.6692 18.2149 18.2149 k = 0.5729 0.1404-0.4516 ( 2346 PWs) bands (ev): -66.4769 -66.4769 -37.0516 -37.0516 -33.1670 -33.1670 -33.1225 -33.1225 -7.2105 -7.2105 -6.7925 -6.7925 4.9637 4.9637 5.7338 5.7338 6.2354 6.2354 6.6045 6.6045 6.8214 6.8214 7.5485 7.5485 7.7415 7.7415 8.5632 8.5632 8.8446 8.8446 9.1445 9.1445 9.5221 9.5221 10.7337 10.7337 11.3805 11.3805 11.8320 11.8320 13.1104 13.1104 14.3347 14.3347 15.6547 15.6547 18.0978 18.0978 k = 0.5701 0.1397-0.4314 ( 2347 PWs) bands (ev): -66.4773 -66.4773 -37.0504 -37.0504 -33.1637 -33.1637 -33.1224 -33.1224 -7.2328 -7.2328 -6.7890 -6.7890 4.9845 4.9845 5.6931 5.6931 6.2221 6.2221 6.6661 6.6661 6.8117 6.8117 7.5567 7.5567 7.7558 7.7558 8.5223 8.5223 8.7690 8.7690 9.1701 9.1701 9.5381 9.5381 10.7428 10.7428 11.3568 11.3568 11.8332 11.8332 13.1547 13.1547 14.3338 14.3338 15.6386 15.6386 17.9818 17.9818 k = 0.5673 0.1391-0.4112 ( 2341 PWs) bands (ev): -66.4776 -66.4776 -37.0491 -37.0491 -33.1604 -33.1604 -33.1224 -33.1224 -7.2550 -7.2550 -6.7854 -6.7854 5.0069 5.0069 5.6528 5.6528 6.2082 6.2082 6.7091 6.7091 6.8204 6.8204 7.5654 7.5654 7.7699 7.7699 8.4742 8.4742 8.7010 8.7010 9.1996 9.1996 9.5553 9.5553 10.7508 10.7508 11.3310 11.3310 11.8332 11.8332 13.2023 13.2023 14.3338 14.3338 15.6212 15.6212 17.8672 17.8672 k = 0.5645 0.1384-0.3910 ( 2339 PWs) bands (ev): -66.4779 -66.4779 -37.0479 -37.0479 -33.1572 -33.1572 -33.1223 -33.1223 -7.2769 -7.2769 -6.7815 -6.7815 5.0308 5.0308 5.6132 5.6132 6.1936 6.1936 6.7172 6.7172 6.8630 6.8630 7.5742 7.5742 7.7835 7.7835 8.4176 8.4176 8.6438 8.6438 9.2315 9.2315 9.5735 9.5735 10.7573 10.7573 11.3031 11.3031 11.8320 11.8320 13.2528 13.2528 14.3345 14.3345 15.6024 15.6024 17.7544 17.7544 k = 0.5617 0.1377-0.3708 ( 2335 PWs) bands (ev): -66.4783 -66.4783 -37.0467 -37.0467 -33.1540 -33.1540 -33.1223 -33.1223 -7.2984 -7.2984 -6.7777 -6.7777 5.0562 5.0562 5.5745 5.5745 6.1785 6.1785 6.7052 6.7052 6.9245 6.9245 7.5831 7.5831 7.7962 7.7962 8.3534 8.3534 8.5977 8.5977 9.2653 9.2653 9.5928 9.5928 10.7624 10.7624 11.2733 11.2733 11.8297 11.8297 13.3061 13.3061 14.3360 14.3360 15.5823 15.5823 17.6435 17.6435 k = 0.5589 0.1370-0.3506 ( 2333 PWs) bands (ev): -66.4786 -66.4786 -37.0456 -37.0456 -33.1510 -33.1510 -33.1222 -33.1222 -7.3195 -7.3195 -6.7737 -6.7737 5.0832 5.0832 5.5370 5.5370 6.1631 6.1631 6.6865 6.6865 6.9910 6.9910 7.5916 7.5916 7.8075 7.8075 8.2849 8.2849 8.5604 8.5604 9.3007 9.3007 9.6132 9.6132 10.7660 10.7660 11.2417 11.2417 11.8264 11.8264 13.3617 13.3617 14.3381 14.3381 15.5609 15.5609 17.5349 17.5349 k = 0.5561 0.1363-0.3304 ( 2331 PWs) bands (ev): -66.4789 -66.4789 -37.0445 -37.0445 -33.1480 -33.1480 -33.1222 -33.1222 -7.3402 -7.3402 -6.7698 -6.7698 5.1116 5.1116 5.5008 5.5008 6.1475 6.1475 6.6649 6.6649 7.0583 7.0583 7.5993 7.5993 7.8167 7.8167 8.2162 8.2162 8.5294 8.5294 9.3376 9.3376 9.6348 9.6348 10.7680 10.7680 11.2083 11.2083 11.8223 11.8223 13.4192 13.4192 14.3409 14.3409 15.5383 15.5383 17.4288 17.4288 k = 0.5533 0.1356-0.3102 ( 2330 PWs) bands (ev): -66.4792 -66.4792 -37.0434 -37.0434 -33.1451 -33.1451 -33.1221 -33.1221 -7.3602 -7.3602 -6.7659 -6.7659 5.1414 5.1414 5.4661 5.4661 6.1319 6.1319 6.6418 6.6418 7.1247 7.1247 7.6054 7.6054 7.8225 7.8225 8.1511 8.1511 8.5030 8.5030 9.3760 9.3760 9.6576 9.6576 10.7683 10.7683 11.1732 11.1732 11.8174 11.8174 13.4784 13.4784 14.3441 14.3441 15.5146 15.5146 17.3256 17.3256 k = 0.5505 0.1349-0.2900 ( 2327 PWs) bands (ev): -66.4795 -66.4795 -37.0423 -37.0423 -33.1423 -33.1423 -33.1220 -33.1220 -7.3796 -7.3796 -6.7621 -6.7621 5.1724 5.1724 5.4333 5.4333 6.1163 6.1163 6.6175 6.6175 7.1893 7.1893 7.6089 7.6089 7.8231 7.8231 8.0939 8.0939 8.4801 8.4801 9.4157 9.4157 9.6816 9.6816 10.7669 10.7669 11.1367 11.1367 11.8119 11.8119 13.5388 13.5388 14.3479 14.3479 15.4898 15.4898 17.2256 17.2256 k = 0.5477 0.1342-0.2698 ( 2325 PWs) bands (ev): -66.4798 -66.4798 -37.0413 -37.0413 -33.1396 -33.1396 -33.1219 -33.1219 -7.3982 -7.3982 -6.7584 -6.7584 5.2042 5.2042 5.4027 5.4027 6.1009 6.1009 6.5923 6.5923 7.2513 7.2513 7.6083 7.6083 7.8166 7.8166 8.0494 8.0494 8.4599 8.4599 9.4566 9.4566 9.7069 9.7069 10.7636 10.7636 11.0987 11.0987 11.8058 11.8058 13.6002 13.6002 14.3520 14.3520 15.4640 15.4640 17.1290 17.1290 k = 0.5449 0.1336-0.2496 ( 2331 PWs) bands (ev): -66.4801 -66.4801 -37.0403 -37.0403 -33.1371 -33.1371 -33.1217 -33.1217 -7.4161 -7.4161 -6.7547 -6.7547 5.2356 5.2356 5.3757 5.3757 6.0858 6.0858 6.5662 6.5662 7.3097 7.3097 7.6013 7.6013 7.8027 7.8027 8.0206 8.0206 8.4419 8.4419 9.4987 9.4987 9.7333 9.7333 10.7583 10.7583 11.0593 11.0593 11.7992 11.7992 13.6623 13.6623 14.3564 14.3564 15.4371 15.4371 17.0361 17.0361 k = 0.5421 0.1329-0.2294 ( 2335 PWs) bands (ev): -66.4804 -66.4804 -37.0394 -37.0394 -33.1348 -33.1348 -33.1216 -33.1216 -7.4332 -7.4332 -6.7513 -6.7513 5.2626 5.2626 5.3562 5.3562 6.0711 6.0711 6.5393 6.5393 7.3625 7.3625 7.5863 7.5863 7.7861 7.7861 8.0066 8.0066 8.4260 8.4260 9.5419 9.5419 9.7611 9.7611 10.7510 10.7510 11.0188 11.0188 11.7924 11.7924 13.7246 13.7246 14.3610 14.3610 15.4093 15.4093 16.9473 16.9473 k = 0.5393 0.1322-0.2092 ( 2335 PWs) bands (ev): -66.4807 -66.4807 -37.0385 -37.0385 -33.1326 -33.1326 -33.1213 -33.1213 -7.4494 -7.4494 -6.7479 -6.7479 5.2738 5.2738 5.3557 5.3557 6.0569 6.0569 6.5116 6.5116 7.4055 7.4055 7.5663 7.5663 7.7728 7.7728 8.0032 8.0032 8.4120 8.4120 9.5862 9.5862 9.7902 9.7902 10.7415 10.7415 10.9775 10.9775 11.7853 11.7853 13.7869 13.7869 14.3658 14.3658 15.3806 15.3806 16.8627 16.8627 k = 0.5365 0.1315-0.1890 ( 2330 PWs) bands (ev): -66.4809 -66.4809 -37.0377 -37.0377 -33.1306 -33.1306 -33.1210 -33.1210 -7.4647 -7.4647 -6.7447 -6.7447 5.2638 5.2638 5.3796 5.3796 6.0433 6.0433 6.4830 6.4830 7.4257 7.4257 7.5556 7.5556 7.7651 7.7651 8.0062 8.0062 8.3999 8.3999 9.6314 9.6314 9.8206 9.8206 10.7299 10.7299 10.9352 10.9352 11.7782 11.7782 13.8489 13.8489 14.3708 14.3708 15.3511 15.3511 16.7828 16.7828 k = 0.5337 0.1308-0.1688 ( 2332 PWs) bands (ev): -66.4811 -66.4811 -37.0369 -37.0369 -33.1289 -33.1289 -33.1206 -33.1206 -7.4790 -7.4790 -6.7418 -6.7418 5.2454 5.2454 5.4150 5.4150 6.0304 6.0304 6.4533 6.4533 7.4101 7.4101 7.5708 7.5708 7.7623 7.7623 8.0127 8.0127 8.3894 8.3894 9.6771 9.6771 9.8524 9.8524 10.7160 10.7160 10.8923 10.8923 11.7711 11.7711 13.9101 13.9101 14.3757 14.3757 15.3209 15.3209 16.7076 16.7076 k = 0.5308 0.1301-0.1486 ( 2338 PWs) bands (ev): -66.4814 -66.4814 -37.0362 -37.0362 -33.1274 -33.1274 -33.1201 -33.1201 -7.4923 -7.4923 -6.7390 -6.7390 5.2256 5.2256 5.4549 5.4549 6.0183 6.0183 6.4224 6.4224 7.3726 7.3726 7.6014 7.6014 7.7627 7.7627 8.0213 8.0213 8.3803 8.3803 9.7233 9.7233 9.8854 9.8854 10.6996 10.6996 10.8489 10.8489 11.7642 11.7642 13.9703 13.9703 14.3807 14.3807 15.2900 15.2900 16.6376 16.6376 k = 0.5280 0.1294-0.1284 ( 2344 PWs) bands (ev): -66.4816 -66.4816 -37.0355 -37.0355 -33.1263 -33.1263 -33.1194 -33.1194 -7.5045 -7.5045 -6.7364 -6.7364 5.2065 5.2065 5.4972 5.4972 6.0070 6.0070 6.3902 6.3902 7.3282 7.3282 7.6344 7.6344 7.7653 7.7653 8.0311 8.0311 8.3726 8.3726 9.7696 9.7696 9.9198 9.9198 10.6809 10.6809 10.8052 10.8052 11.7574 11.7574 14.0289 14.0289 14.3856 14.3856 15.2585 15.2585 16.5729 16.5729 k = 0.5252 0.1287-0.1082 ( 2344 PWs) bands (ev): -66.4817 -66.4817 -37.0349 -37.0349 -33.1255 -33.1255 -33.1185 -33.1185 -7.5157 -7.5157 -6.7341 -6.7341 5.1886 5.1886 5.5412 5.5412 5.9966 5.9966 6.3566 6.3566 7.2831 7.2831 7.6651 7.6651 7.7695 7.7695 8.0415 8.0415 8.3663 8.3663 9.8159 9.8159 9.9556 9.9556 10.6600 10.6600 10.7614 10.7614 11.7510 11.7510 14.0857 14.0857 14.3904 14.3904 15.2269 15.2269 16.5137 16.5137 k = 0.5224 0.1281-0.0880 ( 2345 PWs) bands (ev): -66.4819 -66.4819 -37.0344 -37.0344 -33.1249 -33.1249 -33.1176 -33.1176 -7.5258 -7.5258 -6.7319 -6.7319 5.1723 5.1723 5.5866 5.5866 5.9872 5.9872 6.3214 6.3214 7.2399 7.2399 7.6914 7.6914 7.7752 7.7752 8.0520 8.0520 8.3611 8.3611 9.8617 9.8617 9.9926 9.9926 10.6369 10.6369 10.7177 10.7177 11.7450 11.7450 14.1400 14.1400 14.3953 14.3953 15.1952 15.1952 16.4603 16.4603 k = 0.5196 0.1274-0.0678 ( 2345 PWs) bands (ev): -66.4820 -66.4820 -37.0339 -37.0339 -33.1245 -33.1245 -33.1167 -33.1167 -7.5348 -7.5348 -6.7300 -6.7300 5.1578 5.1578 5.6330 5.6330 5.9788 5.9788 6.2845 6.2845 7.2001 7.2001 7.7124 7.7124 7.7827 7.7827 8.0623 8.0623 8.3569 8.3569 9.9066 9.9066 10.0307 10.0307 10.6118 10.6118 10.6743 10.6743 11.7395 11.7395 14.1913 14.1913 14.4001 14.4001 15.1639 15.1639 16.4128 16.4128 k = 0.5168 0.1267-0.0476 ( 2345 PWs) bands (ev): -66.4822 -66.4822 -37.0335 -37.0335 -33.1242 -33.1242 -33.1158 -33.1158 -7.5426 -7.5426 -6.7283 -6.7283 5.1451 5.1451 5.6801 5.6801 5.9715 5.9715 6.2459 6.2459 7.1644 7.1644 7.7276 7.7276 7.7920 7.7920 8.0722 8.0722 8.3536 8.3536 9.9498 9.9498 10.0698 10.0698 10.5849 10.5849 10.6317 10.6317 11.7346 11.7346 14.2385 14.2385 14.4051 14.4051 15.1335 15.1335 16.3713 16.3713 k = 0.5140 0.1260-0.0274 ( 2345 PWs) bands (ev): -66.4823 -66.4823 -37.0331 -37.0331 -33.1240 -33.1240 -33.1150 -33.1150 -7.5492 -7.5492 -6.7269 -6.7269 5.1343 5.1343 5.7278 5.7278 5.9654 5.9654 6.2057 6.2057 7.1335 7.1335 7.7376 7.7376 7.8023 7.8023 8.0811 8.0811 8.3511 8.3511 9.9909 9.9909 10.1094 10.1094 10.5571 10.5571 10.5901 10.5901 11.7304 11.7304 14.2806 14.2806 14.4107 14.4107 15.1047 15.1047 16.3360 16.3360 k = 0.5112 0.1253-0.0072 ( 2347 PWs) bands (ev): -66.4824 -66.4824 -37.0328 -37.0328 -33.1239 -33.1239 -33.1143 -33.1143 -7.5547 -7.5547 -6.7258 -6.7258 5.1255 5.1255 5.7756 5.7756 5.9606 5.9606 6.1638 6.1638 7.1079 7.1079 7.7440 7.7440 7.8123 7.8123 8.0890 8.0890 8.3492 8.3492 10.0287 10.0287 10.1488 10.1488 10.5291 10.5291 10.5503 10.5503 11.7268 11.7268 14.3157 14.3157 14.4174 14.4174 15.0784 15.0784 16.3070 16.3070 k = 0.5084 0.1246 0.0130 ( 2349 PWs) bands (ev): -66.4824 -66.4824 -37.0326 -37.0326 -33.1238 -33.1238 -33.1137 -33.1137 -7.5590 -7.5590 -6.7248 -6.7248 5.1185 5.1185 5.8228 5.8228 5.9574 5.9574 6.1206 6.1206 7.0877 7.0877 7.7480 7.7480 7.8209 7.8209 8.0953 8.0953 8.3478 8.3478 10.0621 10.0621 10.1867 10.1867 10.5024 10.5024 10.5130 10.5130 11.7240 11.7240 14.3424 14.3424 14.4256 14.4256 15.0557 15.0557 16.2844 16.2844 k = 0.5056 0.1239 0.0332 ( 2349 PWs) bands (ev): -66.4825 -66.4825 -37.0324 -37.0324 -33.1237 -33.1237 -33.1133 -33.1133 -7.5620 -7.5620 -6.7242 -6.7242 5.1136 5.1136 5.8680 5.8680 5.9568 5.9568 6.0767 6.0767 7.0732 7.0732 7.7505 7.7505 7.8273 7.8273 8.1001 8.1001 8.3469 8.3469 10.0890 10.0890 10.2208 10.2208 10.4768 10.4768 10.4829 10.4829 11.7220 11.7220 14.3596 14.3596 14.4348 14.4348 15.0380 15.0380 16.2681 16.2681 k = 0.5028 0.1232 0.0534 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1131 -33.1131 -7.5638 -7.5638 -6.7238 -6.7238 5.1106 5.1106 5.9054 5.9054 5.9630 5.9630 6.0334 6.0334 7.0645 7.0645 7.7518 7.7518 7.8312 7.8312 8.1030 8.1030 8.3463 8.3463 10.1069 10.1069 10.2467 10.2467 10.4530 10.4530 10.4661 10.4661 11.7207 11.7207 14.3687 14.3687 14.4423 14.4423 15.0267 15.0267 16.2584 16.2584 k = 0.5000 0.1226 0.0736 ( 2350 PWs) bands (ev): -66.4825 -66.4825 -37.0323 -37.0323 -33.1237 -33.1237 -33.1130 -33.1130 -7.5645 -7.5645 -6.7237 -6.7237 5.1096 5.1096 5.9200 5.9200 5.9798 5.9798 6.0023 6.0023 7.0616 7.0616 7.7522 7.7522 7.8325 7.8325 8.1040 8.1040 8.3462 8.3462 10.1133 10.1133 10.2569 10.2569 10.4432 10.4432 10.4604 10.4604 11.7203 11.7203 14.3714 14.3714 14.4452 14.4452 15.0228 15.0228 16.2551 16.2551 k = 0.5000-0.9586-0.5756 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8700 -6.8700 -6.6795 -6.6795 5.0293 5.0293 5.3721 5.3721 6.2638 6.2638 6.4082 6.4082 6.6008 6.6008 7.1661 7.1661 7.4280 7.4280 9.1693 9.1693 9.3674 9.3674 9.7281 9.7281 10.3092 10.3092 11.2090 11.2090 11.4222 11.4222 11.8037 11.8037 14.0567 14.0567 14.4472 14.4472 14.9203 14.9203 18.1305 18.1305 k = 0.5178-0.9518-0.5716 ( 2374 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8711 -6.8711 -6.6784 -6.6784 5.0259 5.0259 5.3725 5.3725 6.2672 6.2672 6.4070 6.4070 6.6023 6.6023 7.1667 7.1667 7.4301 7.4301 9.1678 9.1678 9.3669 9.3669 9.7264 9.7264 10.3084 10.3084 11.2082 11.2082 11.4225 11.4225 11.8043 11.8043 14.0572 14.0572 14.4479 14.4479 14.9191 14.9191 18.1332 18.1332 k = 0.5355-0.9450-0.5675 ( 2366 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8740 -6.8740 -6.6753 -6.6753 5.0160 5.0160 5.3735 5.3735 6.2774 6.2774 6.4035 6.4035 6.6068 6.6068 7.1683 7.1683 7.4362 7.4362 9.1635 9.1635 9.3655 9.3655 9.7214 9.7214 10.3058 10.3058 11.2057 11.2057 11.4233 11.4233 11.8061 11.8061 14.0588 14.0588 14.4500 14.4500 14.9158 14.9158 18.1414 18.1414 k = 0.5533-0.9382-0.5634 ( 2364 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8787 -6.8787 -6.6704 -6.6704 5.0004 5.0004 5.3747 5.3747 6.2938 6.2938 6.3978 6.3978 6.6145 6.6145 7.1709 7.1709 7.4464 7.4464 9.1562 9.1562 9.3631 9.3631 9.7130 9.7130 10.3014 10.3014 11.2017 11.2017 11.4245 11.4245 11.8089 11.8089 14.0612 14.0612 14.4534 14.4534 14.9104 14.9104 18.1549 18.1549 k = 0.5710-0.9314-0.5593 ( 2367 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8848 -6.8848 -6.6640 -6.6640 4.9798 4.9798 5.3757 5.3757 6.3156 6.3156 6.3901 6.3901 6.6253 6.6253 7.1742 7.1742 7.4606 7.4606 9.1459 9.1459 9.3599 9.3599 9.7013 9.7013 10.2951 10.2951 11.1963 11.1963 11.4261 11.4261 11.8127 11.8127 14.0644 14.0644 14.4581 14.4581 14.9032 14.9032 18.1736 18.1736 k = 0.5888-0.9246-0.5552 ( 2369 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2431 -33.2431 -33.1229 -33.1229 -6.8921 -6.8921 -6.6563 -6.6563 4.9554 4.9554 5.3762 5.3762 6.3414 6.3414 6.3816 6.3816 6.6396 6.6396 7.1781 7.1781 7.4789 7.4789 9.1326 9.1326 9.3560 9.3560 9.6865 9.6865 10.2869 10.2869 11.1901 11.1901 11.4279 11.4279 11.8173 11.8173 14.0681 14.0681 14.4640 14.4640 14.8945 14.8945 18.1972 18.1972 k = 0.6066-0.9178-0.5511 ( 2369 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -6.9003 -6.9003 -6.6478 -6.6478 4.9279 4.9279 5.3759 5.3759 6.3598 6.3598 6.3826 6.3826 6.6576 6.6576 7.1823 7.1823 7.5011 7.5011 9.1161 9.1161 9.3516 9.3516 9.6687 9.6687 10.2766 10.2766 11.1834 11.1834 11.4298 11.4298 11.8228 11.8228 14.0722 14.0722 14.4711 14.4711 14.8846 14.8846 18.2254 18.2254 k = 0.6243-0.9110-0.5470 ( 2372 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -6.9090 -6.9090 -6.6385 -6.6385 4.8984 4.8984 5.3747 5.3747 6.3519 6.3519 6.4111 6.4111 6.6797 6.6797 7.1867 7.1867 7.5269 7.5269 9.0965 9.0965 9.3466 9.3466 9.6481 9.6481 10.2643 10.2643 11.1764 11.1764 11.4317 11.4317 11.8288 11.8288 14.0762 14.0762 14.4791 14.4791 14.8741 14.8741 18.2580 18.2580 k = 0.6421-0.9042-0.5429 ( 2373 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1230 -33.1230 -6.9181 -6.9181 -6.6289 -6.6289 4.8674 4.8674 5.3725 5.3725 6.3387 6.3387 6.4452 6.4452 6.7063 6.7063 7.1913 7.1913 7.5563 7.5563 9.0738 9.0738 9.3412 9.3412 9.6251 9.6251 10.2498 10.2498 11.1697 11.1697 11.4337 11.4337 11.8353 11.8353 14.0798 14.0798 14.4882 14.4882 14.8635 14.8635 18.2944 18.2944 k = 0.6599-0.8974-0.5389 ( 2369 PWs) bands (ev): -66.4686 -66.4686 -37.0810 -37.0810 -33.2430 -33.2430 -33.1229 -33.1229 -6.9274 -6.9274 -6.6190 -6.6190 4.8357 4.8357 5.3696 5.3696 6.3243 6.3243 6.4796 6.4796 6.7378 6.7378 7.1962 7.1962 7.5890 7.5890 9.0481 9.0481 9.3352 9.3352 9.5999 9.5999 10.2333 10.2333 11.1636 11.1636 11.4357 11.4357 11.8421 11.8421 14.0827 14.0827 14.4981 14.4981 14.8532 14.8532 18.3343 18.3343 k = 0.6776-0.8906-0.5348 ( 2365 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2429 -33.2429 -33.1229 -33.1229 -6.9368 -6.9368 -6.6090 -6.6090 4.8038 4.8038 5.3660 5.3660 6.3092 6.3092 6.5128 6.5128 6.7745 6.7745 7.2017 7.2017 7.6245 7.6245 9.0196 9.0196 9.3283 9.3283 9.5729 9.5729 10.2148 10.2148 11.1581 11.1581 11.4376 11.4376 11.8492 11.8492 14.0845 14.0845 14.5085 14.5085 14.8439 14.8439 18.3772 18.3772 k = 0.6954-0.8837-0.5307 ( 2365 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2429 -33.2429 -33.1229 -33.1229 -6.9460 -6.9460 -6.5990 -6.5990 4.7720 4.7720 5.3619 5.3619 6.2938 6.2938 6.5437 6.5437 6.8160 6.8160 7.2079 7.2079 7.6626 7.6626 8.9884 8.9884 9.3201 9.3201 9.5447 9.5447 10.1944 10.1944 11.1535 11.1535 11.4393 11.4393 11.8562 11.8562 14.0848 14.0848 14.5195 14.5195 14.8361 14.8361 18.4228 18.4228 k = 0.7131-0.8769-0.5266 ( 2365 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2429 -33.2429 -33.1229 -33.1229 -6.9552 -6.9552 -6.5892 -6.5892 4.7407 4.7407 5.3574 5.3574 6.2784 6.2784 6.5717 6.5717 6.8618 6.8618 7.2155 7.2155 7.7030 7.7030 8.9546 8.9546 9.3102 9.3102 9.5160 9.5160 10.1723 10.1723 11.1498 11.1498 11.4409 11.4409 11.8632 11.8632 14.0831 14.0831 14.5309 14.5309 14.8302 14.8302 18.4703 18.4703 k = 0.7309-0.8701-0.5225 ( 2361 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2428 -33.2428 -33.1229 -33.1229 -6.9640 -6.9640 -6.5796 -6.5796 4.7103 4.7103 5.3529 5.3529 6.2632 6.2632 6.5967 6.5967 6.9103 6.9103 7.2254 7.2254 7.7455 7.7455 8.9182 8.9182 9.2976 9.2976 9.4879 9.4879 10.1489 10.1489 11.1474 11.1474 11.4424 11.4424 11.8701 11.8701 14.0794 14.0794 14.5425 14.5425 14.8266 14.8266 18.5195 18.5195 k = 0.7487-0.8633-0.5184 ( 2359 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2428 -33.2428 -33.1229 -33.1229 -6.9726 -6.9726 -6.5704 -6.5704 4.6809 4.6809 5.3484 5.3484 6.2484 6.2484 6.6188 6.6188 6.9594 6.9594 7.2391 7.2391 7.7898 7.7898 8.8796 8.8796 9.2813 9.2813 9.4616 9.4616 10.1244 10.1244 11.1460 11.1460 11.4439 11.4439 11.8766 11.8766 14.0733 14.0733 14.5542 14.5542 14.8257 14.8257 18.5697 18.5697 k = 0.7664-0.8565-0.5143 ( 2359 PWs) bands (ev): -66.4686 -66.4686 -37.0809 -37.0809 -33.2427 -33.2427 -33.1229 -33.1229 -6.9808 -6.9808 -6.5616 -6.5616 4.6529 4.6529 5.3441 5.3441 6.2340 6.2340 6.6381 6.6381 7.0060 7.0060 7.2587 7.2587 7.8355 7.8355 8.8387 8.8387 9.2602 9.2602 9.4384 9.4384 10.0993 10.0993 11.1456 11.1456 11.4452 11.4452 11.8828 11.8828 14.0647 14.0647 14.5659 14.5659 14.8276 14.8276 18.6202 18.6202 k = 0.7842-0.8497-0.5102 ( 2360 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2427 -33.2427 -33.1229 -33.1229 -6.9885 -6.9885 -6.5532 -6.5532 4.6264 4.6264 5.3401 5.3401 6.2203 6.2203 6.6546 6.6546 7.0467 7.0467 7.2872 7.2872 7.8826 7.8826 8.7957 8.7957 9.2338 9.2338 9.4190 9.4190 10.0739 10.0739 11.1462 11.1462 11.4464 11.4464 11.8886 11.8886 14.0537 14.0537 14.5774 14.5774 14.8324 14.8324 18.6706 18.6706 k = 0.8019-0.8429-0.5061 ( 2360 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2426 -33.2426 -33.1229 -33.1229 -6.9958 -6.9958 -6.5453 -6.5453 4.6015 4.6015 5.3366 5.3366 6.2074 6.2074 6.6686 6.6686 7.0787 7.0787 7.3266 7.3266 7.9306 7.9306 8.7507 8.7507 9.2021 9.2021 9.4036 9.4036 10.0487 10.0487 11.1478 11.1478 11.4475 11.4475 11.8938 11.8938 14.0404 14.0404 14.5887 14.5887 14.8399 14.8399 18.7200 18.7200 k = 0.8197-0.8361-0.5021 ( 2355 PWs) bands (ev): -66.4686 -66.4686 -37.0808 -37.0808 -33.2426 -33.2426 -33.1229 -33.1229 -7.0025 -7.0025 -6.5380 -6.5380 4.5784 4.5784 5.3337 5.3337 6.1954 6.1954 6.6800 6.6800 7.1019 7.1019 7.3768 7.3768 7.9794 7.9794 8.7037 8.7037 9.1661 9.1661 9.3917 9.3917 10.0240 10.0240 11.1502 11.1502 11.4486 11.4486 11.8986 11.8986 14.0251 14.0251 14.5996 14.5996 14.8500 14.8500 18.7677 18.7677 Writing output data file AgRhO2.save init_run : 0.32s CPU 0.47s WALL ( 1 calls) electrons : 177.07s CPU 179.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 177.06s CPU 179.09s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 385 calls) cegterg : 160.17s CPU 161.76s WALL ( 423 calls) Called by sum_band: Called by *egterg: h_psi : 123.47s CPU 124.63s WALL ( 7247 calls) s_psi : 3.90s CPU 4.00s WALL ( 7247 calls) g_psi : 0.14s CPU 0.12s WALL ( 6439 calls) cdiaghg : 39.24s CPU 39.86s WALL ( 6824 calls) cegterg:over : 3.28s CPU 3.37s WALL ( 6439 calls) cegterg:upda : 2.17s CPU 2.22s WALL ( 6439 calls) cegterg:last : 1.47s CPU 1.51s WALL ( 1193 calls) cdiaghg:chol : 2.07s CPU 2.13s WALL ( 6824 calls) cdiaghg:inve : 1.45s CPU 1.45s WALL ( 6824 calls) cdiaghg:para : 2.10s CPU 2.19s WALL ( 13648 calls) Called by h_psi: h_psi:vloc : 117.69s CPU 118.78s WALL ( 7247 calls) h_psi:vnl : 5.65s CPU 5.74s WALL ( 7247 calls) add_vuspsi : 2.90s CPU 2.94s WALL ( 7247 calls) General routines calbec : 2.74s CPU 2.78s WALL ( 7247 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.56s CPU 108.89s WALL ( 719832 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.15s WALL ( 770 calls) Parallel routines fft_scatter : 25.11s CPU 25.79s WALL ( 719855 calls) PWSCF : 3m11.75s CPU 3m37.32s WALL This run was terminated on: 18:38:52 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=