Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:18:58 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: ./FePS3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 57 44 12 2293 1552 232 Max 58 45 13 2299 1566 238 Sum 2065 1597 451 82601 56087 8419 bravais-lattice index = 14 lattice parameter (alat) = 11.2153 a.u. unit-cell volume = 1331.5395 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.215279 celldm(2)= 1.000000 celldm(3)= 1.141053 celldm(4)= 0.147832 celldm(5)= 0.147832 celldm(6)= -0.500147 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500147 0.865941 0.000000 ) a(3) = ( 0.168684 0.292227 1.090023 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577576 -0.309597 ) b(2) = ( 0.000000 1.154813 -0.309597 ) b(3) = ( 0.000000 0.000000 0.917412 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) P 5.00 30.97380 P( 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0090081 0.0156056 -0.0041837), wk = 0.0033898 k( 3) = ( 0.0180163 0.0312112 -0.0083675), wk = 0.0033898 k( 4) = ( 0.0270244 0.0468168 -0.0125512), wk = 0.0033898 k( 5) = ( 0.0360325 0.0624223 -0.0167350), wk = 0.0033898 k( 6) = ( 0.0450406 0.0780279 -0.0209187), wk = 0.0033898 k( 7) = ( 0.0540488 0.0936335 -0.0251025), wk = 0.0033898 k( 8) = ( 0.0630569 0.1092391 -0.0292862), wk = 0.0033898 k( 9) = ( 0.0720650 0.1248447 -0.0334700), wk = 0.0033898 k( 10) = ( 0.0810731 0.1404503 -0.0376537), wk = 0.0033898 k( 11) = ( 0.0900813 0.1560559 -0.0418375), wk = 0.0033898 k( 12) = ( 0.0990894 0.1716615 -0.0460212), wk = 0.0033898 k( 13) = ( 0.1080975 0.1872671 -0.0502049), wk = 0.0033898 k( 14) = ( 0.1171057 0.2028726 -0.0543887), wk = 0.0033898 k( 15) = ( 0.1261138 0.2184782 -0.0585724), wk = 0.0033898 k( 16) = ( 0.1351219 0.2340838 -0.0627562), wk = 0.0033898 k( 17) = ( 0.1441301 0.2496894 -0.0669399), wk = 0.0033898 k( 18) = ( 0.1531382 0.2652950 -0.0711237), wk = 0.0033898 k( 19) = ( 0.1621463 0.2809006 -0.0753074), wk = 0.0033898 k( 20) = ( 0.1711544 0.2965062 -0.0794911), wk = 0.0033898 k( 21) = ( 0.1801626 0.3121117 -0.0836749), wk = 0.0033898 k( 22) = ( 0.1891707 0.3277173 -0.0878586), wk = 0.0033898 k( 23) = ( 0.1981788 0.3433229 -0.0920424), wk = 0.0033898 k( 24) = ( 0.2071870 0.3589285 -0.0962261), wk = 0.0033898 k( 25) = ( 0.2161951 0.3745341 -0.1004099), wk = 0.0033898 k( 26) = ( 0.2252032 0.3901397 -0.1045936), wk = 0.0033898 k( 27) = ( 0.2342113 0.4057453 -0.1087774), wk = 0.0033898 k( 28) = ( 0.2432195 0.4213509 -0.1129611), wk = 0.0033898 k( 29) = ( 0.2522276 0.4369565 -0.1171449), wk = 0.0033898 k( 30) = ( 0.2612357 0.4525620 -0.1213286), wk = 0.0033898 k( 31) = ( 0.2702438 0.4681676 -0.1255123), wk = 0.0033898 k( 32) = ( 0.2792520 0.4837732 -0.1296961), wk = 0.0033898 k( 33) = ( 0.2882601 0.4993788 -0.1338798), wk = 0.0033898 k( 34) = ( 0.2972682 0.5149844 -0.1380636), wk = 0.0033898 k( 35) = ( 0.3062764 0.5305900 -0.1422473), wk = 0.0033898 k( 36) = ( 0.3152845 0.5461956 -0.1464311), wk = 0.0033898 k( 37) = ( 0.3242926 0.5618012 -0.1506148), wk = 0.0033898 k( 38) = ( 0.3333007 0.5774067 -0.1547986), wk = 0.0033898 k( 39) = ( 0.3333007 0.5774067 -0.1547986), wk = 0.0033898 k( 40) = ( 0.3360672 0.5821994 -0.1369217), wk = 0.0033898 k( 41) = ( 0.3388338 0.5869921 -0.1190448), wk = 0.0033898 k( 42) = ( 0.3416003 0.5917847 -0.1011678), wk = 0.0033898 k( 43) = ( 0.3443668 0.5965774 -0.0832909), wk = 0.0033898 k( 44) = ( 0.3471333 0.6013701 -0.0654140), wk = 0.0033898 k( 45) = ( 0.3498998 0.6061627 -0.0475371), wk = 0.0033898 k( 46) = ( 0.3526663 0.6109554 -0.0296602), wk = 0.0033898 k( 47) = ( 0.3554328 0.6157481 -0.0117833), wk = 0.0033898 k( 48) = ( 0.3581993 0.6205408 0.0060936), wk = 0.0033898 k( 49) = ( 0.3609658 0.6253334 0.0239705), wk = 0.0033898 k( 50) = ( 0.3637323 0.6301261 0.0418474), wk = 0.0033898 k( 51) = ( 0.3664988 0.6349188 0.0597243), wk = 0.0033898 k( 52) = ( 0.3692653 0.6397114 0.0776012), wk = 0.0033898 k( 53) = ( 0.3720318 0.6445041 0.0954781), wk = 0.0033898 k( 54) = ( 0.3747984 0.6492968 0.1133550), wk = 0.0033898 k( 55) = ( 0.3775649 0.6540894 0.1312319), wk = 0.0033898 k( 56) = ( 0.3803314 0.6588821 0.1491088), wk = 0.0033898 k( 57) = ( 0.3803314 0.6588821 0.1491088), wk = 0.0033898 k( 58) = ( 0.3756283 0.6507346 0.1645887), wk = 0.0033898 k( 59) = ( 0.3709252 0.6425870 0.1800685), wk = 0.0033898 k( 60) = ( 0.3662222 0.6344395 0.1955484), wk = 0.0033898 k( 61) = ( 0.3615191 0.6262920 0.2110282), wk = 0.0033898 k( 62) = ( 0.3568160 0.6181444 0.2265081), wk = 0.0033898 k( 63) = ( 0.3521130 0.6099969 0.2419880), wk = 0.0033898 k( 64) = ( 0.3474099 0.6018494 0.2574678), wk = 0.0033898 k( 65) = ( 0.3427069 0.5937018 0.2729477), wk = 0.0033898 k( 66) = ( 0.3380038 0.5855543 0.2884275), wk = 0.0033898 k( 67) = ( 0.3333007 0.5774067 0.3039074), wk = 0.0033898 k( 68) = ( 0.3285977 0.5692592 0.3193872), wk = 0.0033898 k( 69) = ( 0.3238946 0.5611117 0.3348671), wk = 0.0033898 k( 70) = ( 0.3191915 0.5529641 0.3503470), wk = 0.0033898 k( 71) = ( 0.3144885 0.5448166 0.3658268), wk = 0.0033898 k( 72) = ( 0.3097854 0.5366691 0.3813067), wk = 0.0033898 k( 73) = ( 0.3050824 0.5285215 0.3967865), wk = 0.0033898 k( 74) = ( 0.3003793 0.5203740 0.4122664), wk = 0.0033898 k( 75) = ( 0.2956762 0.5122264 0.4277462), wk = 0.0033898 k( 76) = ( 0.2909732 0.5040789 0.4432261), wk = 0.0033898 k( 77) = ( 0.2862701 0.4959314 0.4587059), wk = 0.0033898 k( 78) = ( 0.2862701 0.4959314 0.4587059), wk = 0.0033898 k( 79) = ( 0.2770356 0.4799336 0.4587059), wk = 0.0033898 k( 80) = ( 0.2678011 0.4639358 0.4587059), wk = 0.0033898 k( 81) = ( 0.2585666 0.4479380 0.4587059), wk = 0.0033898 k( 82) = ( 0.2493320 0.4319402 0.4587059), wk = 0.0033898 k( 83) = ( 0.2400975 0.4159425 0.4587059), wk = 0.0033898 k( 84) = ( 0.2308630 0.3999447 0.4587059), wk = 0.0033898 k( 85) = ( 0.2216285 0.3839469 0.4587059), wk = 0.0033898 k( 86) = ( 0.2123940 0.3679491 0.4587059), wk = 0.0033898 k( 87) = ( 0.2031594 0.3519513 0.4587059), wk = 0.0033898 k( 88) = ( 0.1939249 0.3359535 0.4587059), wk = 0.0033898 k( 89) = ( 0.1846904 0.3199557 0.4587059), wk = 0.0033898 k( 90) = ( 0.1754559 0.3039579 0.4587059), wk = 0.0033898 k( 91) = ( 0.1662214 0.2879602 0.4587059), wk = 0.0033898 k( 92) = ( 0.1569868 0.2719624 0.4587059), wk = 0.0033898 k( 93) = ( 0.1477523 0.2559646 0.4587059), wk = 0.0033898 k( 94) = ( 0.1385178 0.2399668 0.4587059), wk = 0.0033898 k( 95) = ( 0.1292833 0.2239690 0.4587059), wk = 0.0033898 k( 96) = ( 0.1200488 0.2079712 0.4587059), wk = 0.0033898 k( 97) = ( 0.1108142 0.1919734 0.4587059), wk = 0.0033898 k( 98) = ( 0.1015797 0.1759757 0.4587059), wk = 0.0033898 k( 99) = ( 0.0923452 0.1599779 0.4587059), wk = 0.0033898 k( 100) = ( 0.0831107 0.1439801 0.4587059), wk = 0.0033898 k( 101) = ( 0.0738762 0.1279823 0.4587059), wk = 0.0033898 k( 102) = ( 0.0646416 0.1119845 0.4587059), wk = 0.0033898 k( 103) = ( 0.0554071 0.0959867 0.4587059), wk = 0.0033898 k( 104) = ( 0.0461726 0.0799889 0.4587059), wk = 0.0033898 k( 105) = ( 0.0369381 0.0639911 0.4587059), wk = 0.0033898 k( 106) = ( 0.0277036 0.0479934 0.4587059), wk = 0.0033898 k( 107) = ( 0.0184690 0.0319956 0.4587059), wk = 0.0033898 k( 108) = ( 0.0092345 0.0159978 0.4587059), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.4587059), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.4587059), wk = 0.0033898 k( 111) = ( 0.0161290 -0.0093103 0.4587059), wk = 0.0033898 k( 112) = ( 0.0322581 -0.0186206 0.4587059), wk = 0.0033898 k( 113) = ( 0.0483871 -0.0279308 0.4587059), wk = 0.0033898 k( 114) = ( 0.0645161 -0.0372411 0.4587059), wk = 0.0033898 k( 115) = ( 0.0806452 -0.0465514 0.4587059), wk = 0.0033898 k( 116) = ( 0.0967742 -0.0558617 0.4587059), wk = 0.0033898 k( 117) = ( 0.1129032 -0.0651720 0.4587059), wk = 0.0033898 k( 118) = ( 0.1290323 -0.0744822 0.4587059), wk = 0.0033898 k( 119) = ( 0.1451613 -0.0837925 0.4587059), wk = 0.0033898 k( 120) = ( 0.1612903 -0.0931028 0.4587059), wk = 0.0033898 k( 121) = ( 0.1774194 -0.1024131 0.4587059), wk = 0.0033898 k( 122) = ( 0.1935484 -0.1117234 0.4587059), wk = 0.0033898 k( 123) = ( 0.2096774 -0.1210336 0.4587059), wk = 0.0033898 k( 124) = ( 0.2258064 -0.1303439 0.4587059), wk = 0.0033898 k( 125) = ( 0.2419355 -0.1396542 0.4587059), wk = 0.0033898 k( 126) = ( 0.2580645 -0.1489645 0.4587059), wk = 0.0033898 k( 127) = ( 0.2741936 -0.1582748 0.4587059), wk = 0.0033898 k( 128) = ( 0.2903226 -0.1675850 0.4587059), wk = 0.0033898 k( 129) = ( 0.3064516 -0.1768953 0.4587059), wk = 0.0033898 k( 130) = ( 0.3225807 -0.1862056 0.4587059), wk = 0.0033898 k( 131) = ( 0.3387097 -0.1955159 0.4587059), wk = 0.0033898 k( 132) = ( 0.3548387 -0.2048262 0.4587059), wk = 0.0033898 k( 133) = ( 0.3709677 -0.2141364 0.4587059), wk = 0.0033898 k( 134) = ( 0.3870968 -0.2234467 0.4587059), wk = 0.0033898 k( 135) = ( 0.4032258 -0.2327570 0.4587059), wk = 0.0033898 k( 136) = ( 0.4193548 -0.2420673 0.4587059), wk = 0.0033898 k( 137) = ( 0.4354839 -0.2513776 0.4587059), wk = 0.0033898 k( 138) = ( 0.4516129 -0.2606878 0.4587059), wk = 0.0033898 k( 139) = ( 0.4677419 -0.2699981 0.4587059), wk = 0.0033898 k( 140) = ( 0.4838710 -0.2793084 0.4587059), wk = 0.0033898 k( 141) = ( 0.5000000 -0.2886187 0.4587059), wk = 0.0033898 k( 142) = ( 0.5000000 -0.2886187 0.4587059), wk = 0.0033898 k( 143) = ( 0.5092053 -0.2726715 0.4587059), wk = 0.0033898 k( 144) = ( 0.5184106 -0.2567244 0.4587059), wk = 0.0033898 k( 145) = ( 0.5276158 -0.2407773 0.4587059), wk = 0.0033898 k( 146) = ( 0.5368211 -0.2248302 0.4587059), wk = 0.0033898 k( 147) = ( 0.5460264 -0.2088830 0.4587059), wk = 0.0033898 k( 148) = ( 0.5552317 -0.1929359 0.4587059), wk = 0.0033898 k( 149) = ( 0.5644370 -0.1769888 0.4587059), wk = 0.0033898 k( 150) = ( 0.5736422 -0.1610416 0.4587059), wk = 0.0033898 k( 151) = ( 0.5828475 -0.1450945 0.4587059), wk = 0.0033898 k( 152) = ( 0.5920528 -0.1291474 0.4587059), wk = 0.0033898 k( 153) = ( 0.6012581 -0.1132002 0.4587059), wk = 0.0033898 k( 154) = ( 0.6104633 -0.0972531 0.4587059), wk = 0.0033898 k( 155) = ( 0.6196686 -0.0813060 0.4587059), wk = 0.0033898 k( 156) = ( 0.7137299 0.0816447 0.1491088), wk = 0.0033898 k( 157) = ( 0.7109634 0.0768521 0.1312319), wk = 0.0033898 k( 158) = ( 0.7081969 0.0720594 0.1133550), wk = 0.0033898 k( 159) = ( 0.7054304 0.0672667 0.0954781), wk = 0.0033898 k( 160) = ( 0.7026638 0.0624741 0.0776012), wk = 0.0033898 k( 161) = ( 0.6998973 0.0576814 0.0597243), wk = 0.0033898 k( 162) = ( 0.6971308 0.0528887 0.0418474), wk = 0.0033898 k( 163) = ( 0.6943643 0.0480961 0.0239705), wk = 0.0033898 k( 164) = ( 0.6915978 0.0433034 0.0060936), wk = 0.0033898 k( 165) = ( 0.6888313 0.0385107 -0.0117833), wk = 0.0033898 k( 166) = ( 0.6860648 0.0337181 -0.0296602), wk = 0.0033898 k( 167) = ( 0.6832983 0.0289254 -0.0475371), wk = 0.0033898 k( 168) = ( 0.6805318 0.0241327 -0.0654140), wk = 0.0033898 k( 169) = ( 0.6777653 0.0193401 -0.0832909), wk = 0.0033898 k( 170) = ( 0.6749988 0.0145474 -0.1011678), wk = 0.0033898 k( 171) = ( 0.6722323 0.0097547 -0.1190448), wk = 0.0033898 k( 172) = ( 0.6694658 0.0049621 -0.1369217), wk = 0.0033898 k( 173) = ( 0.6666993 0.0001694 -0.1547986), wk = 0.0033898 k( 174) = ( 0.6666993 0.0001694 -0.1547986), wk = 0.0033898 k( 175) = ( 0.6583643 -0.0142700 -0.1470586), wk = 0.0033898 k( 176) = ( 0.6500293 -0.0287094 -0.1393187), wk = 0.0033898 k( 177) = ( 0.6416944 -0.0431488 -0.1315788), wk = 0.0033898 k( 178) = ( 0.6333594 -0.0575882 -0.1238389), wk = 0.0033898 k( 179) = ( 0.6250244 -0.0720276 -0.1160989), wk = 0.0033898 k( 180) = ( 0.6166895 -0.0864670 -0.1083590), wk = 0.0033898 k( 181) = ( 0.6083545 -0.1009064 -0.1006191), wk = 0.0033898 k( 182) = ( 0.6000196 -0.1153458 -0.0928791), wk = 0.0033898 k( 183) = ( 0.5916846 -0.1297852 -0.0851392), wk = 0.0033898 k( 184) = ( 0.5833496 -0.1442246 -0.0773993), wk = 0.0033898 k( 185) = ( 0.5750147 -0.1586640 -0.0696594), wk = 0.0033898 k( 186) = ( 0.5666797 -0.1731035 -0.0619194), wk = 0.0033898 k( 187) = ( 0.5583447 -0.1875429 -0.0541795), wk = 0.0033898 k( 188) = ( 0.5500098 -0.2019823 -0.0464396), wk = 0.0033898 k( 189) = ( 0.5416748 -0.2164217 -0.0386996), wk = 0.0033898 k( 190) = ( 0.5333398 -0.2308611 -0.0309597), wk = 0.0033898 k( 191) = ( 0.5250049 -0.2453005 -0.0232198), wk = 0.0033898 k( 192) = ( 0.5166699 -0.2597399 -0.0154799), wk = 0.0033898 k( 193) = ( 0.5083350 -0.2741793 -0.0077399), wk = 0.0033898 k( 194) = ( 0.5000000 -0.2886187 -0.0000000), wk = 0.0033898 k( 195) = ( 0.5000000 -0.2886187 -0.0000000), wk = 0.0033898 k( 196) = ( 0.4838710 -0.2793084 -0.0000000), wk = 0.0033898 k( 197) = ( 0.4677419 -0.2699981 -0.0000000), wk = 0.0033898 k( 198) = ( 0.4516129 -0.2606878 -0.0000000), wk = 0.0033898 k( 199) = ( 0.4354839 -0.2513776 -0.0000000), wk = 0.0033898 k( 200) = ( 0.4193548 -0.2420673 -0.0000000), wk = 0.0033898 k( 201) = ( 0.4032258 -0.2327570 -0.0000000), wk = 0.0033898 k( 202) = ( 0.3870968 -0.2234467 -0.0000000), wk = 0.0033898 k( 203) = ( 0.3709677 -0.2141364 -0.0000000), wk = 0.0033898 k( 204) = ( 0.3548387 -0.2048262 -0.0000000), wk = 0.0033898 k( 205) = ( 0.3387097 -0.1955159 -0.0000000), wk = 0.0033898 k( 206) = ( 0.3225807 -0.1862056 -0.0000000), wk = 0.0033898 k( 207) = ( 0.3064516 -0.1768953 -0.0000000), wk = 0.0033898 k( 208) = ( 0.2903226 -0.1675850 -0.0000000), wk = 0.0033898 k( 209) = ( 0.2741936 -0.1582748 -0.0000000), wk = 0.0033898 k( 210) = ( 0.2580645 -0.1489645 -0.0000000), wk = 0.0033898 k( 211) = ( 0.2419355 -0.1396542 -0.0000000), wk = 0.0033898 k( 212) = ( 0.2258064 -0.1303439 -0.0000000), wk = 0.0033898 k( 213) = ( 0.2096774 -0.1210336 -0.0000000), wk = 0.0033898 k( 214) = ( 0.1935484 -0.1117234 -0.0000000), wk = 0.0033898 k( 215) = ( 0.1774194 -0.1024131 -0.0000000), wk = 0.0033898 k( 216) = ( 0.1612903 -0.0931028 -0.0000000), wk = 0.0033898 k( 217) = ( 0.1451613 -0.0837925 -0.0000000), wk = 0.0033898 k( 218) = ( 0.1290323 -0.0744822 -0.0000000), wk = 0.0033898 k( 219) = ( 0.1129032 -0.0651720 -0.0000000), wk = 0.0033898 k( 220) = ( 0.0967742 -0.0558617 -0.0000000), wk = 0.0033898 k( 221) = ( 0.0806452 -0.0465514 -0.0000000), wk = 0.0033898 k( 222) = ( 0.0645161 -0.0372411 -0.0000000), wk = 0.0033898 k( 223) = ( 0.0483871 -0.0279308 -0.0000000), wk = 0.0033898 k( 224) = ( 0.0322581 -0.0186206 -0.0000000), wk = 0.0033898 k( 225) = ( 0.0161290 -0.0093103 -0.0000000), wk = 0.0033898 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 228) = ( 0.0156250 0.0090246 -0.0048375), wk = 0.0033898 k( 229) = ( 0.0312500 0.0180493 -0.0096749), wk = 0.0033898 k( 230) = ( 0.0468750 0.0270739 -0.0145124), wk = 0.0033898 k( 231) = ( 0.0625000 0.0360985 -0.0193498), wk = 0.0033898 k( 232) = ( 0.0781250 0.0451231 -0.0241873), wk = 0.0033898 k( 233) = ( 0.0937500 0.0541478 -0.0290247), wk = 0.0033898 k( 234) = ( 0.1093750 0.0631724 -0.0338622), wk = 0.0033898 k( 235) = ( 0.1250000 0.0721970 -0.0386996), wk = 0.0033898 k( 236) = ( 0.1406250 0.0812216 -0.0435371), wk = 0.0033898 k( 237) = ( 0.1562500 0.0902463 -0.0483746), wk = 0.0033898 k( 238) = ( 0.1718750 0.0992709 -0.0532120), wk = 0.0033898 k( 239) = ( 0.1875000 0.1082955 -0.0580495), wk = 0.0033898 k( 240) = ( 0.2031250 0.1173202 -0.0628869), wk = 0.0033898 k( 241) = ( 0.2187500 0.1263448 -0.0677244), wk = 0.0033898 k( 242) = ( 0.2343750 0.1353694 -0.0725618), wk = 0.0033898 k( 243) = ( 0.2500000 0.1443940 -0.0773993), wk = 0.0033898 k( 244) = ( 0.2656250 0.1534187 -0.0822367), wk = 0.0033898 k( 245) = ( 0.2812500 0.1624433 -0.0870742), wk = 0.0033898 k( 246) = ( 0.2968750 0.1714679 -0.0919116), wk = 0.0033898 k( 247) = ( 0.3125000 0.1804925 -0.0967491), wk = 0.0033898 k( 248) = ( 0.3281250 0.1895172 -0.1015866), wk = 0.0033898 k( 249) = ( 0.3437500 0.1985418 -0.1064240), wk = 0.0033898 k( 250) = ( 0.3593750 0.2075664 -0.1112615), wk = 0.0033898 k( 251) = ( 0.3750000 0.2165910 -0.1160989), wk = 0.0033898 k( 252) = ( 0.3906250 0.2256157 -0.1209364), wk = 0.0033898 k( 253) = ( 0.4062500 0.2346403 -0.1257738), wk = 0.0033898 k( 254) = ( 0.4218750 0.2436649 -0.1306113), wk = 0.0033898 k( 255) = ( 0.4375000 0.2526896 -0.1354487), wk = 0.0033898 k( 256) = ( 0.4531250 0.2617142 -0.1402862), wk = 0.0033898 k( 257) = ( 0.4687500 0.2707388 -0.1451237), wk = 0.0033898 k( 258) = ( 0.4843750 0.2797634 -0.1499611), wk = 0.0033898 k( 259) = ( 0.5000000 0.2887881 -0.1547986), wk = 0.0033898 k( 260) = ( 0.5000000 0.2887881 0.3039074), wk = 0.0033898 k( 261) = ( 0.4857143 0.2805370 0.2952243), wk = 0.0033898 k( 262) = ( 0.4714286 0.2722859 0.2865412), wk = 0.0033898 k( 263) = ( 0.4571429 0.2640348 0.2778582), wk = 0.0033898 k( 264) = ( 0.4428571 0.2557837 0.2691751), wk = 0.0033898 k( 265) = ( 0.4285714 0.2475326 0.2604920), wk = 0.0033898 k( 266) = ( 0.4142857 0.2392815 0.2518090), wk = 0.0033898 k( 267) = ( 0.4000000 0.2310305 0.2431259), wk = 0.0033898 k( 268) = ( 0.3857143 0.2227794 0.2344428), wk = 0.0033898 k( 269) = ( 0.3714286 0.2145283 0.2257598), wk = 0.0033898 k( 270) = ( 0.3571429 0.2062772 0.2170767), wk = 0.0033898 k( 271) = ( 0.3428571 0.1980261 0.2083936), wk = 0.0033898 k( 272) = ( 0.3285714 0.1897750 0.1997106), wk = 0.0033898 k( 273) = ( 0.3142857 0.1815239 0.1910275), wk = 0.0033898 k( 274) = ( 0.3000000 0.1732728 0.1823444), wk = 0.0033898 k( 275) = ( 0.2857143 0.1650218 0.1736614), wk = 0.0033898 k( 276) = ( 0.2714286 0.1567707 0.1649783), wk = 0.0033898 k( 277) = ( 0.2571429 0.1485196 0.1562952), wk = 0.0033898 k( 278) = ( 0.2428571 0.1402685 0.1476122), wk = 0.0033898 k( 279) = ( 0.2285714 0.1320174 0.1389291), wk = 0.0033898 k( 280) = ( 0.2142857 0.1237663 0.1302460), wk = 0.0033898 k( 281) = ( 0.2000000 0.1155152 0.1215630), wk = 0.0033898 k( 282) = ( 0.1857143 0.1072641 0.1128799), wk = 0.0033898 k( 283) = ( 0.1714286 0.0990131 0.1041968), wk = 0.0033898 k( 284) = ( 0.1571429 0.0907620 0.0955138), wk = 0.0033898 k( 285) = ( 0.1428571 0.0825109 0.0868307), wk = 0.0033898 k( 286) = ( 0.1285714 0.0742598 0.0781476), wk = 0.0033898 k( 287) = ( 0.1142857 0.0660087 0.0694645), wk = 0.0033898 k( 288) = ( 0.1000000 0.0577576 0.0607815), wk = 0.0033898 k( 289) = ( 0.0857143 0.0495065 0.0520984), wk = 0.0033898 k( 290) = ( 0.0714286 0.0412554 0.0434153), wk = 0.0033898 k( 291) = ( 0.0571429 0.0330044 0.0347323), wk = 0.0033898 k( 292) = ( 0.0428571 0.0247533 0.0260492), wk = 0.0033898 k( 293) = ( 0.0285714 0.0165022 0.0173661), wk = 0.0033898 k( 294) = ( 0.0142857 0.0082511 0.0086831), wk = 0.0033898 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0090081 0.0090081 0.0015195), wk = 0.0033898 k( 3) = ( 0.0180163 0.0180163 0.0030391), wk = 0.0033898 k( 4) = ( 0.0270244 0.0270244 0.0045586), wk = 0.0033898 k( 5) = ( 0.0360325 0.0360325 0.0060781), wk = 0.0033898 k( 6) = ( 0.0450406 0.0450406 0.0075977), wk = 0.0033898 k( 7) = ( 0.0540488 0.0540488 0.0091172), wk = 0.0033898 k( 8) = ( 0.0630569 0.0630569 0.0106367), wk = 0.0033898 k( 9) = ( 0.0720650 0.0720650 0.0121562), wk = 0.0033898 k( 10) = ( 0.0810731 0.0810731 0.0136758), wk = 0.0033898 k( 11) = ( 0.0900813 0.0900813 0.0151953), wk = 0.0033898 k( 12) = ( 0.0990894 0.0990894 0.0167149), wk = 0.0033898 k( 13) = ( 0.1080975 0.1080975 0.0182344), wk = 0.0033898 k( 14) = ( 0.1171057 0.1171057 0.0197539), wk = 0.0033898 k( 15) = ( 0.1261138 0.1261138 0.0212734), wk = 0.0033898 k( 16) = ( 0.1351219 0.1351219 0.0227930), wk = 0.0033898 k( 17) = ( 0.1441301 0.1441301 0.0243125), wk = 0.0033898 k( 18) = ( 0.1531382 0.1531382 0.0258320), wk = 0.0033898 k( 19) = ( 0.1621463 0.1621463 0.0273516), wk = 0.0033898 k( 20) = ( 0.1711544 0.1711544 0.0288711), wk = 0.0033898 k( 21) = ( 0.1801626 0.1801626 0.0303906), wk = 0.0033898 k( 22) = ( 0.1891707 0.1891707 0.0319102), wk = 0.0033898 k( 23) = ( 0.1981788 0.1981788 0.0334297), wk = 0.0033898 k( 24) = ( 0.2071870 0.2071870 0.0349492), wk = 0.0033898 k( 25) = ( 0.2161951 0.2161951 0.0364688), wk = 0.0033898 k( 26) = ( 0.2252032 0.2252032 0.0379883), wk = 0.0033898 k( 27) = ( 0.2342113 0.2342113 0.0395078), wk = 0.0033898 k( 28) = ( 0.2432195 0.2432195 0.0410273), wk = 0.0033898 k( 29) = ( 0.2522276 0.2522276 0.0425469), wk = 0.0033898 k( 30) = ( 0.2612357 0.2612357 0.0440664), wk = 0.0033898 k( 31) = ( 0.2702438 0.2702438 0.0455859), wk = 0.0033898 k( 32) = ( 0.2792520 0.2792520 0.0471055), wk = 0.0033898 k( 33) = ( 0.2882601 0.2882601 0.0486250), wk = 0.0033898 k( 34) = ( 0.2972682 0.2972682 0.0501445), wk = 0.0033898 k( 35) = ( 0.3062764 0.3062764 0.0516641), wk = 0.0033898 k( 36) = ( 0.3152845 0.3152845 0.0531836), wk = 0.0033898 k( 37) = ( 0.3242926 0.3242926 0.0547031), wk = 0.0033898 k( 38) = ( 0.3333007 0.3333007 0.0562227), wk = 0.0033898 k( 39) = ( 0.3333007 0.3333007 0.0562227), wk = 0.0033898 k( 40) = ( 0.3360672 0.3360672 0.0775761), wk = 0.0033898 k( 41) = ( 0.3388338 0.3388338 0.0989296), wk = 0.0033898 k( 42) = ( 0.3416003 0.3416003 0.1202830), wk = 0.0033898 k( 43) = ( 0.3443668 0.3443668 0.1416365), wk = 0.0033898 k( 44) = ( 0.3471333 0.3471333 0.1629899), wk = 0.0033898 k( 45) = ( 0.3498998 0.3498998 0.1843434), wk = 0.0033898 k( 46) = ( 0.3526663 0.3526663 0.2056968), wk = 0.0033898 k( 47) = ( 0.3554328 0.3554328 0.2270503), wk = 0.0033898 k( 48) = ( 0.3581993 0.3581993 0.2484037), wk = 0.0033898 k( 49) = ( 0.3609658 0.3609658 0.2697572), wk = 0.0033898 k( 50) = ( 0.3637323 0.3637323 0.2911106), wk = 0.0033898 k( 51) = ( 0.3664988 0.3664988 0.3124641), wk = 0.0033898 k( 52) = ( 0.3692653 0.3692653 0.3338175), wk = 0.0033898 k( 53) = ( 0.3720318 0.3720318 0.3551710), wk = 0.0033898 k( 54) = ( 0.3747984 0.3747984 0.3765244), wk = 0.0033898 k( 55) = ( 0.3775649 0.3775649 0.3978779), wk = 0.0033898 k( 56) = ( 0.3803314 0.3803314 0.4192313), wk = 0.0033898 k( 57) = ( 0.3803314 0.3803314 0.4192313), wk = 0.0033898 k( 58) = ( 0.3756283 0.3756283 0.4329305), wk = 0.0033898 k( 59) = ( 0.3709252 0.3709252 0.4466296), wk = 0.0033898 k( 60) = ( 0.3662222 0.3662222 0.4603287), wk = 0.0033898 k( 61) = ( 0.3615191 0.3615191 0.4740279), wk = 0.0033898 k( 62) = ( 0.3568160 0.3568161 0.4877270), wk = 0.0033898 k( 63) = ( 0.3521130 0.3521130 0.5014261), wk = 0.0033898 k( 64) = ( 0.3474099 0.3474099 0.5151253), wk = 0.0033898 k( 65) = ( 0.3427069 0.3427069 0.5288244), wk = 0.0033898 k( 66) = ( 0.3380038 0.3380038 0.5425235), wk = 0.0033898 k( 67) = ( 0.3333007 0.3333007 0.5562227), wk = 0.0033898 k( 68) = ( 0.3285977 0.3285977 0.5699218), wk = 0.0033898 k( 69) = ( 0.3238946 0.3238946 0.5836209), wk = 0.0033898 k( 70) = ( 0.3191915 0.3191915 0.5973201), wk = 0.0033898 k( 71) = ( 0.3144885 0.3144885 0.6110192), wk = 0.0033898 k( 72) = ( 0.3097854 0.3097854 0.6247183), wk = 0.0033898 k( 73) = ( 0.3050824 0.3050824 0.6384175), wk = 0.0033898 k( 74) = ( 0.3003793 0.3003793 0.6521166), wk = 0.0033898 k( 75) = ( 0.2956762 0.2956762 0.6658157), wk = 0.0033898 k( 76) = ( 0.2909732 0.2909732 0.6795149), wk = 0.0033898 k( 77) = ( 0.2862701 0.2862701 0.6932140), wk = 0.0033898 k( 78) = ( 0.2862701 0.2862701 0.6932140), wk = 0.0033898 k( 79) = ( 0.2770356 0.2770356 0.6869813), wk = 0.0033898 k( 80) = ( 0.2678011 0.2678011 0.6807486), wk = 0.0033898 k( 81) = ( 0.2585666 0.2585666 0.6745159), wk = 0.0033898 k( 82) = ( 0.2493320 0.2493320 0.6682832), wk = 0.0033898 k( 83) = ( 0.2400975 0.2400975 0.6620504), wk = 0.0033898 k( 84) = ( 0.2308630 0.2308630 0.6558177), wk = 0.0033898 k( 85) = ( 0.2216285 0.2216285 0.6495850), wk = 0.0033898 k( 86) = ( 0.2123940 0.2123940 0.6433523), wk = 0.0033898 k( 87) = ( 0.2031594 0.2031594 0.6371196), wk = 0.0033898 k( 88) = ( 0.1939249 0.1939249 0.6308869), wk = 0.0033898 k( 89) = ( 0.1846904 0.1846904 0.6246542), wk = 0.0033898 k( 90) = ( 0.1754559 0.1754559 0.6184215), wk = 0.0033898 k( 91) = ( 0.1662214 0.1662214 0.6121888), wk = 0.0033898 k( 92) = ( 0.1569868 0.1569868 0.6059561), wk = 0.0033898 k( 93) = ( 0.1477523 0.1477523 0.5997233), wk = 0.0033898 k( 94) = ( 0.1385178 0.1385178 0.5934906), wk = 0.0033898 k( 95) = ( 0.1292833 0.1292833 0.5872579), wk = 0.0033898 k( 96) = ( 0.1200488 0.1200488 0.5810252), wk = 0.0033898 k( 97) = ( 0.1108142 0.1108142 0.5747925), wk = 0.0033898 k( 98) = ( 0.1015797 0.1015797 0.5685598), wk = 0.0033898 k( 99) = ( 0.0923452 0.0923452 0.5623271), wk = 0.0033898 k( 100) = ( 0.0831107 0.0831107 0.5560944), wk = 0.0033898 k( 101) = ( 0.0738762 0.0738762 0.5498617), wk = 0.0033898 k( 102) = ( 0.0646416 0.0646416 0.5436290), wk = 0.0033898 k( 103) = ( 0.0554071 0.0554071 0.5373963), wk = 0.0033898 k( 104) = ( 0.0461726 0.0461726 0.5311636), wk = 0.0033898 k( 105) = ( 0.0369381 0.0369381 0.5249308), wk = 0.0033898 k( 106) = ( 0.0277036 0.0277036 0.5186981), wk = 0.0033898 k( 107) = ( 0.0184690 0.0184690 0.5124654), wk = 0.0033898 k( 108) = ( 0.0092345 0.0092345 0.5062327), wk = 0.0033898 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 111) = ( 0.0161290 -0.0161290 0.5000000), wk = 0.0033898 k( 112) = ( 0.0322581 -0.0322581 0.5000000), wk = 0.0033898 k( 113) = ( 0.0483871 -0.0483871 0.5000000), wk = 0.0033898 k( 114) = ( 0.0645161 -0.0645161 0.5000000), wk = 0.0033898 k( 115) = ( 0.0806452 -0.0806452 0.5000000), wk = 0.0033898 k( 116) = ( 0.0967742 -0.0967742 0.5000000), wk = 0.0033898 k( 117) = ( 0.1129032 -0.1129032 0.5000000), wk = 0.0033898 k( 118) = ( 0.1290323 -0.1290323 0.5000000), wk = 0.0033898 k( 119) = ( 0.1451613 -0.1451613 0.5000000), wk = 0.0033898 k( 120) = ( 0.1612903 -0.1612903 0.5000000), wk = 0.0033898 k( 121) = ( 0.1774194 -0.1774193 0.5000000), wk = 0.0033898 k( 122) = ( 0.1935484 -0.1935484 0.5000000), wk = 0.0033898 k( 123) = ( 0.2096774 -0.2096774 0.5000000), wk = 0.0033898 k( 124) = ( 0.2258064 -0.2258064 0.5000000), wk = 0.0033898 k( 125) = ( 0.2419355 -0.2419355 0.5000000), wk = 0.0033898 k( 126) = ( 0.2580645 -0.2580645 0.5000000), wk = 0.0033898 k( 127) = ( 0.2741936 -0.2741936 0.5000000), wk = 0.0033898 k( 128) = ( 0.2903226 -0.2903226 0.5000000), wk = 0.0033898 k( 129) = ( 0.3064516 -0.3064516 0.5000000), wk = 0.0033898 k( 130) = ( 0.3225807 -0.3225807 0.5000000), wk = 0.0033898 k( 131) = ( 0.3387097 -0.3387097 0.5000000), wk = 0.0033898 k( 132) = ( 0.3548387 -0.3548387 0.5000000), wk = 0.0033898 k( 133) = ( 0.3709677 -0.3709677 0.5000000), wk = 0.0033898 k( 134) = ( 0.3870968 -0.3870968 0.5000000), wk = 0.0033898 k( 135) = ( 0.4032258 -0.4032258 0.5000000), wk = 0.0033898 k( 136) = ( 0.4193548 -0.4193548 0.5000000), wk = 0.0033898 k( 137) = ( 0.4354839 -0.4354839 0.5000000), wk = 0.0033898 k( 138) = ( 0.4516129 -0.4516129 0.5000000), wk = 0.0033898 k( 139) = ( 0.4677419 -0.4677419 0.5000000), wk = 0.0033898 k( 140) = ( 0.4838710 -0.4838710 0.5000000), wk = 0.0033898 k( 141) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0033898 k( 142) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0033898 k( 143) = ( 0.5092053 -0.4907947 0.5062130), wk = 0.0033898 k( 144) = ( 0.5184106 -0.4815894 0.5124260), wk = 0.0033898 k( 145) = ( 0.5276158 -0.4723842 0.5186389), wk = 0.0033898 k( 146) = ( 0.5368211 -0.4631789 0.5248519), wk = 0.0033898 k( 147) = ( 0.5460264 -0.4539736 0.5310649), wk = 0.0033898 k( 148) = ( 0.5552317 -0.4447683 0.5372778), wk = 0.0033898 k( 149) = ( 0.5644370 -0.4355630 0.5434908), wk = 0.0033898 k( 150) = ( 0.5736422 -0.4263578 0.5497038), wk = 0.0033898 k( 151) = ( 0.5828475 -0.4171525 0.5559168), wk = 0.0033898 k( 152) = ( 0.5920528 -0.4079472 0.5621297), wk = 0.0033898 k( 153) = ( 0.6012581 -0.3987419 0.5683427), wk = 0.0033898 k( 154) = ( 0.6104633 -0.3895366 0.5745557), wk = 0.0033898 k( 155) = ( 0.6196686 -0.3803314 0.5807687), wk = 0.0033898 k( 156) = ( 0.7137299 -0.2862701 0.3067860), wk = 0.0033898 k( 157) = ( 0.7109634 -0.2890366 0.2854326), wk = 0.0033898 k( 158) = ( 0.7081969 -0.2918031 0.2640791), wk = 0.0033898 k( 159) = ( 0.7054304 -0.2945696 0.2427257), wk = 0.0033898 k( 160) = ( 0.7026638 -0.2973362 0.2213722), wk = 0.0033898 k( 161) = ( 0.6998973 -0.3001027 0.2000187), wk = 0.0033898 k( 162) = ( 0.6971308 -0.3028692 0.1786653), wk = 0.0033898 k( 163) = ( 0.6943643 -0.3056357 0.1573118), wk = 0.0033898 k( 164) = ( 0.6915978 -0.3084022 0.1359584), wk = 0.0033898 k( 165) = ( 0.6888313 -0.3111687 0.1146049), wk = 0.0033898 k( 166) = ( 0.6860648 -0.3139352 0.0932515), wk = 0.0033898 k( 167) = ( 0.6832983 -0.3167017 0.0718981), wk = 0.0033898 k( 168) = ( 0.6805318 -0.3194682 0.0505446), wk = 0.0033898 k( 169) = ( 0.6777653 -0.3222347 0.0291911), wk = 0.0033898 k( 170) = ( 0.6749988 -0.3250012 0.0078377), wk = 0.0033898 k( 171) = ( 0.6722323 -0.3277677 -0.0135158), wk = 0.0033898 k( 172) = ( 0.6694658 -0.3305342 -0.0348692), wk = 0.0033898 k( 173) = ( 0.6666993 -0.3333007 -0.0562227), wk = 0.0033898 k( 174) = ( 0.6666993 -0.3333007 -0.0562227), wk = 0.0033898 k( 175) = ( 0.6583643 -0.3416357 -0.0534115), wk = 0.0033898 k( 176) = ( 0.6500293 -0.3499707 -0.0506004), wk = 0.0033898 k( 177) = ( 0.6416944 -0.3583056 -0.0477893), wk = 0.0033898 k( 178) = ( 0.6333594 -0.3666406 -0.0449781), wk = 0.0033898 k( 179) = ( 0.6250244 -0.3749756 -0.0421670), wk = 0.0033898 k( 180) = ( 0.6166895 -0.3833105 -0.0393559), wk = 0.0033898 k( 181) = ( 0.6083545 -0.3916455 -0.0365447), wk = 0.0033898 k( 182) = ( 0.6000196 -0.3999804 -0.0337336), wk = 0.0033898 k( 183) = ( 0.5916846 -0.4083154 -0.0309225), wk = 0.0033898 k( 184) = ( 0.5833496 -0.4166504 -0.0281113), wk = 0.0033898 k( 185) = ( 0.5750147 -0.4249853 -0.0253002), wk = 0.0033898 k( 186) = ( 0.5666797 -0.4333203 -0.0224891), wk = 0.0033898 k( 187) = ( 0.5583447 -0.4416553 -0.0196779), wk = 0.0033898 k( 188) = ( 0.5500098 -0.4499902 -0.0168668), wk = 0.0033898 k( 189) = ( 0.5416748 -0.4583252 -0.0140557), wk = 0.0033898 k( 190) = ( 0.5333398 -0.4666601 -0.0112445), wk = 0.0033898 k( 191) = ( 0.5250049 -0.4749951 -0.0084334), wk = 0.0033898 k( 192) = ( 0.5166699 -0.4833301 -0.0056223), wk = 0.0033898 k( 193) = ( 0.5083350 -0.4916650 -0.0028111), wk = 0.0033898 k( 194) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0033898 k( 195) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0033898 k( 196) = ( 0.4838710 -0.4838710 -0.0000000), wk = 0.0033898 k( 197) = ( 0.4677419 -0.4677419 -0.0000000), wk = 0.0033898 k( 198) = ( 0.4516129 -0.4516129 0.0000000), wk = 0.0033898 k( 199) = ( 0.4354839 -0.4354839 -0.0000000), wk = 0.0033898 k( 200) = ( 0.4193548 -0.4193548 -0.0000000), wk = 0.0033898 k( 201) = ( 0.4032258 -0.4032258 -0.0000000), wk = 0.0033898 k( 202) = ( 0.3870968 -0.3870968 0.0000000), wk = 0.0033898 k( 203) = ( 0.3709677 -0.3709677 0.0000000), wk = 0.0033898 k( 204) = ( 0.3548387 -0.3548387 -0.0000000), wk = 0.0033898 k( 205) = ( 0.3387097 -0.3387097 0.0000000), wk = 0.0033898 k( 206) = ( 0.3225807 -0.3225807 0.0000000), wk = 0.0033898 k( 207) = ( 0.3064516 -0.3064516 0.0000000), wk = 0.0033898 k( 208) = ( 0.2903226 -0.2903226 0.0000000), wk = 0.0033898 k( 209) = ( 0.2741936 -0.2741936 -0.0000000), wk = 0.0033898 k( 210) = ( 0.2580645 -0.2580645 -0.0000000), wk = 0.0033898 k( 211) = ( 0.2419355 -0.2419355 0.0000000), wk = 0.0033898 k( 212) = ( 0.2258064 -0.2258064 0.0000000), wk = 0.0033898 k( 213) = ( 0.2096774 -0.2096774 -0.0000000), wk = 0.0033898 k( 214) = ( 0.1935484 -0.1935484 -0.0000000), wk = 0.0033898 k( 215) = ( 0.1774194 -0.1774193 0.0000000), wk = 0.0033898 k( 216) = ( 0.1612903 -0.1612903 -0.0000000), wk = 0.0033898 k( 217) = ( 0.1451613 -0.1451613 0.0000000), wk = 0.0033898 k( 218) = ( 0.1290323 -0.1290323 -0.0000000), wk = 0.0033898 k( 219) = ( 0.1129032 -0.1129032 0.0000000), wk = 0.0033898 k( 220) = ( 0.0967742 -0.0967742 0.0000000), wk = 0.0033898 k( 221) = ( 0.0806452 -0.0806452 -0.0000000), wk = 0.0033898 k( 222) = ( 0.0645161 -0.0645161 -0.0000000), wk = 0.0033898 k( 223) = ( 0.0483871 -0.0483871 -0.0000000), wk = 0.0033898 k( 224) = ( 0.0322581 -0.0322581 -0.0000000), wk = 0.0033898 k( 225) = ( 0.0161290 -0.0161290 -0.0000000), wk = 0.0033898 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 228) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0033898 k( 229) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0033898 k( 230) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0033898 k( 231) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0033898 k( 232) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0033898 k( 233) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0033898 k( 234) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0033898 k( 235) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033898 k( 236) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0033898 k( 237) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0033898 k( 238) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0033898 k( 239) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0033898 k( 240) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0033898 k( 241) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0033898 k( 242) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0033898 k( 243) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033898 k( 244) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0033898 k( 245) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0033898 k( 246) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0033898 k( 247) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0033898 k( 248) = ( 0.3281250 0.0000000 -0.0000000), wk = 0.0033898 k( 249) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0033898 k( 250) = ( 0.3593750 -0.0000000 0.0000000), wk = 0.0033898 k( 251) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0033898 k( 252) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0033898 k( 253) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0033898 k( 254) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0033898 k( 255) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0033898 k( 256) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0033898 k( 257) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0033898 k( 258) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0033898 k( 259) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033898 k( 260) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 261) = ( 0.4857143 -0.0000000 0.4857143), wk = 0.0033898 k( 262) = ( 0.4714286 0.0000000 0.4714286), wk = 0.0033898 k( 263) = ( 0.4571429 -0.0000000 0.4571429), wk = 0.0033898 k( 264) = ( 0.4428571 -0.0000000 0.4428571), wk = 0.0033898 k( 265) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0033898 k( 266) = ( 0.4142857 -0.0000000 0.4142857), wk = 0.0033898 k( 267) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0033898 k( 268) = ( 0.3857143 -0.0000000 0.3857143), wk = 0.0033898 k( 269) = ( 0.3714286 0.0000000 0.3714286), wk = 0.0033898 k( 270) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0033898 k( 271) = ( 0.3428571 0.0000000 0.3428571), wk = 0.0033898 k( 272) = ( 0.3285714 0.0000000 0.3285714), wk = 0.0033898 k( 273) = ( 0.3142857 0.0000000 0.3142857), wk = 0.0033898 k( 274) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0033898 k( 275) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0033898 k( 276) = ( 0.2714286 0.0000000 0.2714286), wk = 0.0033898 k( 277) = ( 0.2571429 -0.0000000 0.2571429), wk = 0.0033898 k( 278) = ( 0.2428571 -0.0000000 0.2428571), wk = 0.0033898 k( 279) = ( 0.2285714 -0.0000000 0.2285714), wk = 0.0033898 k( 280) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0033898 k( 281) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0033898 k( 282) = ( 0.1857143 0.0000000 0.1857143), wk = 0.0033898 k( 283) = ( 0.1714286 0.0000000 0.1714286), wk = 0.0033898 k( 284) = ( 0.1571429 -0.0000000 0.1571429), wk = 0.0033898 k( 285) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0033898 k( 286) = ( 0.1285714 -0.0000000 0.1285714), wk = 0.0033898 k( 287) = ( 0.1142857 0.0000000 0.1142857), wk = 0.0033898 k( 288) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0033898 k( 289) = ( 0.0857143 -0.0000000 0.0857143), wk = 0.0033898 k( 290) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0033898 k( 291) = ( 0.0571429 -0.0000000 0.0571429), wk = 0.0033898 k( 292) = ( 0.0428571 -0.0000000 0.0428571), wk = 0.0033898 k( 293) = ( 0.0285714 -0.0000000 0.0285714), wk = 0.0033898 k( 294) = ( 0.0142857 -0.0000000 0.0142857), wk = 0.0033898 k( 295) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 Dense grid: 82601 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 56087 G-vectors FFT dimensions: ( 50, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 394, 74) NL pseudopotentials 1.02 Mb ( 197, 340) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2294) G-vector shells 0.02 Mb ( 2159) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.78 Mb ( 394, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.77 Mb ( 340, 2, 74) The potential is recalculated from file : ./FePS3.save/charge-density.dat Starting wfc are 100 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 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 12.8 secs Computing kpt #: 8 total cpu time spent up to now is 14.3 secs Computing kpt #: 9 total cpu time spent up to now is 15.8 secs Computing kpt #: 10 total cpu time spent up to now is 17.3 secs Computing kpt #: 11 total cpu time spent up to now is 18.9 secs Computing kpt #: 12 total cpu time spent up to now is 20.3 secs Computing kpt #: 13 total cpu time spent up to now is 21.8 secs Computing kpt #: 14 total cpu time spent up to now is 23.1 secs Computing kpt #: 15 total cpu time spent up to now is 24.5 secs Computing kpt #: 16 total cpu time spent up to now is 25.9 secs Computing kpt #: 17 total cpu time spent up to now is 27.2 secs Computing kpt #: 18 total cpu time spent up to now is 28.6 secs Computing kpt #: 19 total cpu time spent up to now is 30.0 secs Computing kpt #: 20 total cpu time spent up to now is 31.4 secs Computing kpt #: 21 total cpu time spent up to now is 32.6 secs Computing kpt #: 22 total cpu time spent up to now is 33.8 secs Computing kpt #: 23 total cpu time spent up to now is 35.2 secs Computing kpt #: 24 total cpu time spent up to now is 36.5 secs Computing kpt #: 25 total cpu time spent up to now is 37.9 secs Computing kpt #: 26 total cpu time spent up to now is 39.3 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 42.0 secs Computing kpt #: 29 total cpu time spent up to now is 43.4 secs Computing kpt #: 30 total cpu time spent up to now is 44.8 secs Computing kpt #: 31 total cpu time spent up to now is 46.2 secs Computing kpt #: 32 total cpu time spent up to now is 47.6 secs Computing kpt #: 33 total cpu time spent up to now is 49.0 secs Computing kpt #: 34 total cpu time spent up to now is 50.4 secs Computing kpt #: 35 total cpu time spent up to now is 51.8 secs Computing kpt #: 36 total cpu time spent up to now is 53.2 secs Computing kpt #: 37 total cpu time spent up to now is 54.6 secs Computing kpt #: 38 total cpu time spent up to now is 56.0 secs Computing kpt #: 39 total cpu time spent up to now is 57.3 secs Computing kpt #: 40 total cpu time spent up to now is 58.7 secs Computing kpt #: 41 total cpu time spent up to now is 60.1 secs Computing kpt #: 42 total cpu time spent up to now is 61.5 secs Computing kpt #: 43 total cpu time spent up to now is 62.9 secs Computing kpt #: 44 total cpu time spent up to now is 64.2 secs Computing kpt #: 45 total cpu time spent up to now is 65.6 secs Computing kpt #: 46 total cpu time spent up to now is 67.0 secs Computing kpt #: 47 total cpu time spent up to now is 68.4 secs Computing kpt #: 48 total cpu time spent up to now is 69.7 secs Computing kpt #: 49 total cpu time spent up to now is 71.4 secs Computing kpt #: 50 total cpu time spent up to now is 72.7 secs Computing kpt #: 51 total cpu time spent up to now is 74.0 secs Computing kpt #: 52 total cpu time spent up to now is 75.3 secs Computing kpt #: 53 total cpu time spent up to now is 76.6 secs Computing kpt #: 54 total cpu time spent up to now is 77.9 secs Computing kpt #: 55 total cpu time spent up to now is 79.3 secs Computing kpt #: 56 total cpu time spent up to now is 80.7 secs Computing kpt #: 57 total cpu time spent up to now is 82.0 secs Computing kpt #: 58 total cpu time spent up to now is 83.4 secs Computing kpt #: 59 total cpu time spent up to now is 84.8 secs Computing kpt #: 60 total cpu time spent up to now is 86.1 secs Computing kpt #: 61 total cpu time spent up to now is 87.5 secs Computing kpt #: 62 total cpu time spent up to now is 88.9 secs Computing kpt #: 63 total cpu time spent up to now is 90.3 secs Computing kpt #: 64 total cpu time spent up to now is 91.7 secs Computing kpt #: 65 total cpu time spent up to now is 93.1 secs Computing kpt #: 66 total cpu time spent up to now is 94.5 secs Computing kpt #: 67 total cpu time spent up to now is 95.9 secs Computing kpt #: 68 total cpu time spent up to now is 97.3 secs Computing kpt #: 69 total cpu time spent up to now is 98.5 secs Computing kpt #: 70 total cpu time spent up to now is 99.7 secs Computing kpt #: 71 total cpu time spent up to now is 101.0 secs Computing kpt #: 72 total cpu time spent up to now is 102.4 secs Computing kpt #: 73 total cpu time spent up to now is 103.6 secs Computing kpt #: 74 total cpu time spent up to now is 105.0 secs Computing kpt #: 75 total cpu time spent up to now is 106.4 secs Computing kpt #: 76 total cpu time spent up to now is 107.7 secs Computing kpt #: 77 total cpu time spent up to now is 109.1 secs Computing kpt #: 78 total cpu time spent up to now is 110.5 secs Computing kpt #: 79 total cpu time spent up to now is 111.9 secs Computing kpt #: 80 total cpu time spent up to now is 113.3 secs Computing kpt #: 81 total cpu time spent up to now is 114.7 secs Computing kpt #: 82 total cpu time spent up to now is 116.0 secs Computing kpt #: 83 total cpu time spent up to now is 117.4 secs Computing kpt #: 84 total cpu time spent up to now is 118.8 secs Computing kpt #: 85 total cpu time spent up to now is 120.2 secs Computing kpt #: 86 total cpu time spent up to now is 121.5 secs Computing kpt #: 87 total cpu time spent up to now is 122.9 secs Computing kpt #: 88 total cpu time spent up to now is 124.3 secs Computing kpt #: 89 total cpu time spent up to now is 125.7 secs Computing kpt #: 90 total cpu time spent up to now is 127.0 secs Computing kpt #: 91 total cpu time spent up to now is 128.4 secs Computing kpt #: 92 total cpu time spent up to now is 129.8 secs Computing kpt #: 93 total cpu time spent up to now is 131.1 secs Computing kpt #: 94 total cpu time spent up to now is 132.5 secs Computing kpt #: 95 total cpu time spent up to now is 133.8 secs Computing kpt #: 96 total cpu time spent up to now is 135.2 secs Computing kpt #: 97 total cpu time spent up to now is 136.5 secs Computing kpt #: 98 total cpu time spent up to now is 138.0 secs Computing kpt #: 99 total cpu time spent up to now is 139.4 secs Computing kpt #: 100 total cpu time spent up to now is 141.2 secs Computing kpt #: 101 total cpu time spent up to now is 142.7 secs Computing kpt #: 102 total cpu time spent up to now is 144.1 secs Computing kpt #: 103 total cpu time spent up to now is 145.6 secs Computing kpt #: 104 total cpu time spent up to now is 147.1 secs Computing kpt #: 105 total cpu time spent up to now is 148.5 secs Computing kpt #: 106 total cpu time spent up to now is 150.0 secs Computing kpt #: 107 total cpu time spent up to now is 151.4 secs Computing kpt #: 108 total cpu time spent up to now is 152.9 secs Computing kpt #: 109 total cpu time spent up to now is 154.4 secs Computing kpt #: 110 total cpu time spent up to now is 155.9 secs Computing kpt #: 111 total cpu time spent up to now is 157.4 secs Computing kpt #: 112 total cpu time spent up to now is 158.9 secs Computing kpt #: 113 total cpu time spent up to now is 160.3 secs Computing kpt #: 114 total cpu time spent up to now is 161.9 secs Computing kpt #: 115 total cpu time spent up to now is 163.4 secs Computing kpt #: 116 total cpu time spent up to now is 165.1 secs Computing kpt #: 117 total cpu time spent up to now is 166.8 secs Computing kpt #: 118 total cpu time spent up to now is 168.6 secs Computing kpt #: 119 total cpu time spent up to now is 170.3 secs Computing kpt #: 120 total cpu time spent up to now is 172.1 secs Computing kpt #: 121 total cpu time spent up to now is 173.9 secs Computing kpt #: 122 total cpu time spent up to now is 175.3 secs Computing kpt #: 123 total cpu time spent up to now is 176.6 secs Computing kpt #: 124 total cpu time spent up to now is 178.0 secs Computing kpt #: 125 total cpu time spent up to now is 179.4 secs Computing kpt #: 126 total cpu time spent up to now is 180.7 secs Computing kpt #: 127 total cpu time spent up to now is 181.9 secs Computing kpt #: 128 total cpu time spent up to now is 183.1 secs Computing kpt #: 129 total cpu time spent up to now is 184.5 secs Computing kpt #: 130 total cpu time spent up to now is 185.8 secs Computing kpt #: 131 total cpu time spent up to now is 187.2 secs Computing kpt #: 132 total cpu time spent up to now is 188.6 secs Computing kpt #: 133 total cpu time spent up to now is 189.8 secs Computing kpt #: 134 total cpu time spent up to now is 191.1 secs Computing kpt #: 135 total cpu time spent up to now is 192.3 secs Computing kpt #: 136 total cpu time spent up to now is 193.8 secs Computing kpt #: 137 total cpu time spent up to now is 195.4 secs Computing kpt #: 138 total cpu time spent up to now is 196.8 secs Computing kpt #: 139 total cpu time spent up to now is 198.2 secs Computing kpt #: 140 total cpu time spent up to now is 199.5 secs Computing kpt #: 141 total cpu time spent up to now is 200.9 secs Computing kpt #: 142 total cpu time spent up to now is 202.2 secs Computing kpt #: 143 total cpu time spent up to now is 203.7 secs Computing kpt #: 144 total cpu time spent up to now is 205.1 secs Computing kpt #: 145 total cpu time spent up to now is 206.5 secs Computing kpt #: 146 total cpu time spent up to now is 207.9 secs Computing kpt #: 147 total cpu time spent up to now is 209.3 secs Computing kpt #: 148 total cpu time spent up to now is 210.7 secs Computing kpt #: 149 total cpu time spent up to now is 212.1 secs Computing kpt #: 150 total cpu time spent up to now is 213.4 secs Computing kpt #: 151 total cpu time spent up to now is 214.8 secs Computing kpt #: 152 total cpu time spent up to now is 216.2 secs Computing kpt #: 153 total cpu time spent up to now is 217.6 secs Computing kpt #: 154 total cpu time spent up to now is 219.0 secs Computing kpt #: 155 total cpu time spent up to now is 220.3 secs Computing kpt #: 156 total cpu time spent up to now is 221.7 secs Computing kpt #: 157 total cpu time spent up to now is 223.1 secs Computing kpt #: 158 total cpu time spent up to now is 224.5 secs Computing kpt #: 159 total cpu time spent up to now is 225.9 secs Computing kpt #: 160 total cpu time spent up to now is 227.3 secs Computing kpt #: 161 total cpu time spent up to now is 228.7 secs Computing kpt #: 162 total cpu time spent up to now is 230.1 secs Computing kpt #: 163 total cpu time spent up to now is 231.4 secs Computing kpt #: 164 total cpu time spent up to now is 232.8 secs Computing kpt #: 165 total cpu time spent up to now is 234.2 secs Computing kpt #: 166 total cpu time spent up to now is 235.6 secs Computing kpt #: 167 total cpu time spent up to now is 236.9 secs Computing kpt #: 168 total cpu time spent up to now is 238.3 secs Computing kpt #: 169 total cpu time spent up to now is 239.8 secs Computing kpt #: 170 total cpu time spent up to now is 241.2 secs Computing kpt #: 171 total cpu time spent up to now is 242.6 secs Computing kpt #: 172 total cpu time spent up to now is 244.1 secs Computing kpt #: 173 total cpu time spent up to now is 245.4 secs Computing kpt #: 174 total cpu time spent up to now is 246.8 secs Computing kpt #: 175 total cpu time spent up to now is 248.3 secs Computing kpt #: 176 total cpu time spent up to now is 249.7 secs Computing kpt #: 177 total cpu time spent up to now is 251.1 secs Computing kpt #: 178 total cpu time spent up to now is 252.5 secs Computing kpt #: 179 total cpu time spent up to now is 253.9 secs Computing kpt #: 180 total cpu time spent up to now is 255.3 secs Computing kpt #: 181 total cpu time spent up to now is 256.7 secs Computing kpt #: 182 total cpu time spent up to now is 258.2 secs Computing kpt #: 183 total cpu time spent up to now is 259.6 secs Computing kpt #: 184 total cpu time spent up to now is 261.1 secs Computing kpt #: 185 total cpu time spent up to now is 262.5 secs Computing kpt #: 186 total cpu time spent up to now is 263.9 secs Computing kpt #: 187 total cpu time spent up to now is 265.4 secs Computing kpt #: 188 total cpu time spent up to now is 266.8 secs Computing kpt #: 189 total cpu time spent up to now is 268.3 secs Computing kpt #: 190 total cpu time spent up to now is 269.7 secs Computing kpt #: 191 total cpu time spent up to now is 271.1 secs Computing kpt #: 192 total cpu time spent up to now is 272.5 secs Computing kpt #: 193 total cpu time spent up to now is 273.9 secs Computing kpt #: 194 total cpu time spent up to now is 275.3 secs Computing kpt #: 195 total cpu time spent up to now is 276.7 secs Computing kpt #: 196 total cpu time spent up to now is 278.1 secs Computing kpt #: 197 total cpu time spent up to now is 279.5 secs Computing kpt #: 198 total cpu time spent up to now is 280.8 secs Computing kpt #: 199 total cpu time spent up to now is 282.2 secs Computing kpt #: 200 total cpu time spent up to now is 283.6 secs Computing kpt #: 201 total cpu time spent up to now is 285.0 secs Computing kpt #: 202 total cpu time spent up to now is 286.4 secs Computing kpt #: 203 total cpu time spent up to now is 287.8 secs Computing kpt #: 204 total cpu time spent up to now is 289.2 secs Computing kpt #: 205 total cpu time spent up to now is 290.6 secs Computing kpt #: 206 total cpu time spent up to now is 292.0 secs Computing kpt #: 207 total cpu time spent up to now is 293.4 secs Computing kpt #: 208 total cpu time spent up to now is 294.8 secs Computing kpt #: 209 total cpu time spent up to now is 296.2 secs Computing kpt #: 210 total cpu time spent up to now is 297.6 secs Computing kpt #: 211 total cpu time spent up to now is 299.0 secs Computing kpt #: 212 total cpu time spent up to now is 300.4 secs Computing kpt #: 213 total cpu time spent up to now is 301.7 secs Computing kpt #: 214 total cpu time spent up to now is 303.1 secs Computing kpt #: 215 total cpu time spent up to now is 304.5 secs Computing kpt #: 216 total cpu time spent up to now is 305.9 secs Computing kpt #: 217 total cpu time spent up to now is 307.2 secs Computing kpt #: 218 total cpu time spent up to now is 308.8 secs Computing kpt #: 219 total cpu time spent up to now is 310.1 secs Computing kpt #: 220 total cpu time spent up to now is 311.6 secs Computing kpt #: 221 total cpu time spent up to now is 313.1 secs Computing kpt #: 222 total cpu time spent up to now is 314.7 secs Computing kpt #: 223 total cpu time spent up to now is 316.4 secs Computing kpt #: 224 total cpu time spent up to now is 317.8 secs Computing kpt #: 225 total cpu time spent up to now is 319.2 secs Computing kpt #: 226 total cpu time spent up to now is 320.6 secs Computing kpt #: 227 total cpu time spent up to now is 322.0 secs Computing kpt #: 228 total cpu time spent up to now is 323.4 secs Computing kpt #: 229 total cpu time spent up to now is 324.8 secs Computing kpt #: 230 total cpu time spent up to now is 326.2 secs Computing kpt #: 231 total cpu time spent up to now is 327.7 secs Computing kpt #: 232 total cpu time spent up to now is 329.1 secs Computing kpt #: 233 total cpu time spent up to now is 330.6 secs Computing kpt #: 234 total cpu time spent up to now is 332.1 secs Computing kpt #: 235 total cpu time spent up to now is 333.7 secs Computing kpt #: 236 total cpu time spent up to now is 335.2 secs Computing kpt #: 237 total cpu time spent up to now is 336.8 secs Computing kpt #: 238 total cpu time spent up to now is 338.3 secs Computing kpt #: 239 total cpu time spent up to now is 339.9 secs Computing kpt #: 240 total cpu time spent up to now is 341.2 secs Computing kpt #: 241 total cpu time spent up to now is 342.6 secs Computing kpt #: 242 total cpu time spent up to now is 344.0 secs Computing kpt #: 243 total cpu time spent up to now is 345.3 secs Computing kpt #: 244 total cpu time spent up to now is 346.7 secs Computing kpt #: 245 total cpu time spent up to now is 348.1 secs Computing kpt #: 246 total cpu time spent up to now is 349.5 secs Computing kpt #: 247 total cpu time spent up to now is 350.8 secs Computing kpt #: 248 total cpu time spent up to now is 352.2 secs Computing kpt #: 249 total cpu time spent up to now is 353.6 secs Computing kpt #: 250 total cpu time spent up to now is 355.0 secs Computing kpt #: 251 total cpu time spent up to now is 356.3 secs Computing kpt #: 252 total cpu time spent up to now is 357.7 secs Computing kpt #: 253 total cpu time spent up to now is 359.1 secs Computing kpt #: 254 total cpu time spent up to now is 360.5 secs Computing kpt #: 255 total cpu time spent up to now is 361.8 secs Computing kpt #: 256 total cpu time spent up to now is 363.2 secs Computing kpt #: 257 total cpu time spent up to now is 364.6 secs Computing kpt #: 258 total cpu time spent up to now is 365.8 secs Computing kpt #: 259 total cpu time spent up to now is 367.1 secs Computing kpt #: 260 total cpu time spent up to now is 368.5 secs Computing kpt #: 261 total cpu time spent up to now is 370.0 secs Computing kpt #: 262 total cpu time spent up to now is 371.4 secs Computing kpt #: 263 total cpu time spent up to now is 372.9 secs Computing kpt #: 264 total cpu time spent up to now is 374.3 secs Computing kpt #: 265 total cpu time spent up to now is 375.7 secs Computing kpt #: 266 total cpu time spent up to now is 377.2 secs Computing kpt #: 267 total cpu time spent up to now is 378.6 secs Computing kpt #: 268 total cpu time spent up to now is 380.0 secs Computing kpt #: 269 total cpu time spent up to now is 381.5 secs Computing kpt #: 270 total cpu time spent up to now is 382.9 secs Computing kpt #: 271 total cpu time spent up to now is 384.3 secs Computing kpt #: 272 total cpu time spent up to now is 385.8 secs Computing kpt #: 273 total cpu time spent up to now is 387.2 secs Computing kpt #: 274 total cpu time spent up to now is 388.7 secs Computing kpt #: 275 total cpu time spent up to now is 390.1 secs Computing kpt #: 276 total cpu time spent up to now is 391.5 secs Computing kpt #: 277 total cpu time spent up to now is 392.9 secs Computing kpt #: 278 total cpu time spent up to now is 394.3 secs Computing kpt #: 279 total cpu time spent up to now is 395.6 secs Computing kpt #: 280 total cpu time spent up to now is 397.0 secs Computing kpt #: 281 total cpu time spent up to now is 398.8 secs Computing kpt #: 282 total cpu time spent up to now is 400.2 secs Computing kpt #: 283 total cpu time spent up to now is 402.0 secs Computing kpt #: 284 total cpu time spent up to now is 403.5 secs Computing kpt #: 285 total cpu time spent up to now is 404.9 secs Computing kpt #: 286 total cpu time spent up to now is 406.5 secs Computing kpt #: 287 total cpu time spent up to now is 407.9 secs Computing kpt #: 288 total cpu time spent up to now is 409.3 secs Computing kpt #: 289 total cpu time spent up to now is 410.8 secs Computing kpt #: 290 total cpu time spent up to now is 412.2 secs Computing kpt #: 291 total cpu time spent up to now is 413.6 secs Computing kpt #: 292 total cpu time spent up to now is 415.0 secs Computing kpt #: 293 total cpu time spent up to now is 416.5 secs Computing kpt #: 294 total cpu time spent up to now is 417.9 secs Computing kpt #: 295 total cpu time spent up to now is 419.3 secs ethr = 1.61E-08, avg # of iterations = 24.9 total cpu time spent up to now is 419.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6967 PWs) bands (ev): -10.4529 -10.4529 -9.1734 -9.1734 -7.1327 -7.1327 -7.1256 -7.1256 -6.9066 -6.9066 -6.8861 -6.8861 -4.4313 -4.4313 -2.5180 -2.5180 -0.9004 -0.9004 -0.0719 -0.0719 0.0089 0.0089 0.2923 0.2923 0.4370 0.4370 1.9297 1.9297 2.8442 2.8442 3.0116 3.0116 3.1536 3.1536 3.1850 3.1850 3.5527 3.5527 3.6457 3.6457 3.7112 3.7112 3.7494 3.7494 3.9126 3.9126 4.4677 4.4677 4.5424 4.5424 5.9218 5.9218 5.9753 5.9753 6.0289 6.0289 6.2996 6.2996 6.3244 6.3244 6.3990 6.3990 7.0783 7.0783 7.2244 7.2244 7.2863 7.2863 7.3328 7.3328 8.5829 8.5829 8.9245 8.9245 k = 0.0090 0.0156-0.0042 ( 6961 PWs) bands (ev): -10.4524 -10.4524 -9.1730 -9.1730 -7.1341 -7.1341 -7.1260 -7.1260 -6.9072 -6.9072 -6.8866 -6.8866 -4.4295 -4.4295 -2.5174 -2.5174 -0.8995 -0.8995 -0.0716 -0.0716 0.0101 0.0101 0.2945 0.2945 0.4348 0.4348 1.9339 1.9339 2.8449 2.8449 2.9951 2.9951 3.1698 3.1698 3.1859 3.1859 3.5510 3.5510 3.6448 3.6448 3.7076 3.7076 3.7483 3.7483 3.9149 3.9149 4.4656 4.4656 4.5364 4.5364 5.9222 5.9222 5.9753 5.9753 6.0289 6.0289 6.3002 6.3002 6.3246 6.3246 6.3991 6.3991 7.0780 7.0780 7.2199 7.2199 7.2866 7.2866 7.3332 7.3332 8.5874 8.5874 8.9278 8.9278 k = 0.0180 0.0312-0.0084 ( 6975 PWs) bands (ev): -10.4512 -10.4512 -9.1721 -9.1721 -7.1384 -7.1384 -7.1271 -7.1271 -6.9091 -6.9091 -6.8881 -6.8881 -4.4240 -4.4240 -2.5157 -2.5157 -0.8968 -0.8968 -0.0706 -0.0706 0.0138 0.0138 0.3010 0.3010 0.4282 0.4282 1.9463 1.9463 2.8472 2.8472 2.9584 2.9584 3.1871 3.1871 3.2074 3.2074 3.5460 3.5460 3.6420 3.6420 3.6973 3.6973 3.7454 3.7454 3.9213 3.9213 4.4584 4.4584 4.5193 4.5193 5.9232 5.9232 5.9752 5.9752 6.0288 6.0288 6.3016 6.3016 6.3252 6.3252 6.3993 6.3993 7.0769 7.0769 7.2072 7.2072 7.2867 7.2867 7.3345 7.3345 8.6008 8.6008 8.9374 8.9374 k = 0.0270 0.0468-0.0126 ( 6972 PWs) bands (ev): -10.4490 -10.4490 -9.1705 -9.1705 -7.1459 -7.1459 -7.1284 -7.1284 -6.9122 -6.9122 -6.8906 -6.8906 -4.4150 -4.4150 -2.5129 -2.5129 -0.8924 -0.8924 -0.0691 -0.0691 0.0199 0.0199 0.3118 0.3118 0.4177 0.4177 1.9666 1.9666 2.8508 2.8508 2.9146 2.9146 3.1908 3.1908 3.2509 3.2509 3.5376 3.5376 3.6371 3.6371 3.6816 3.6816 3.7408 3.7408 3.9308 3.9308 4.4432 4.4432 4.4948 4.4948 5.9248 5.9248 5.9749 5.9749 6.0286 6.0286 6.3040 6.3040 6.3263 6.3263 6.3997 6.3997 7.0753 7.0753 7.1879 7.1879 7.2858 7.2858 7.3366 7.3366 8.6224 8.6224 8.9523 8.9523 k = 0.0360 0.0624-0.0167 ( 6975 PWs) bands (ev): -10.4460 -10.4460 -9.1682 -9.1682 -7.1564 -7.1564 -7.1302 -7.1302 -6.9165 -6.9165 -6.8941 -6.8941 -4.4025 -4.4025 -2.5089 -2.5089 -0.8862 -0.8862 -0.0670 -0.0670 0.0284 0.0284 0.3268 0.3268 0.4037 0.4037 1.9942 1.9942 2.8540 2.8540 2.8702 2.8702 3.1956 3.1956 3.2965 3.2965 3.5255 3.5255 3.6298 3.6298 3.6623 3.6623 3.7348 3.7348 3.9423 3.9423 4.4129 4.4129 4.4713 4.4713 5.9265 5.9265 5.9744 5.9744 6.0281 6.0281 6.3070 6.3070 6.3282 6.3282 6.4004 6.4004 7.0730 7.0730 7.1634 7.1634 7.2833 7.2833 7.3396 7.3396 8.6515 8.6515 8.9713 8.9713 k = 0.0450 0.0780-0.0209 ( 6976 PWs) bands (ev): -10.4422 -10.4422 -9.1654 -9.1654 -7.1696 -7.1696 -7.1324 -7.1324 -6.9219 -6.9219 -6.8985 -6.8985 -4.3868 -4.3868 -2.5039 -2.5039 -0.8782 -0.8782 -0.0643 -0.0643 0.0392 0.0392 0.3457 0.3457 0.3869 0.3869 2.0284 2.0284 2.8199 2.8199 2.8637 2.8637 3.2017 3.2017 3.3416 3.3416 3.5094 3.5094 3.6193 3.6193 3.6419 3.6419 3.7281 3.7281 3.9549 3.9549 4.3651 4.3651 4.4527 4.4527 5.9282 5.9282 5.9734 5.9734 6.0274 6.0274 6.3101 6.3101 6.3310 6.3310 6.4014 6.4014 7.0702 7.0702 7.1347 7.1347 7.2793 7.2793 7.3435 7.3435 8.6868 8.6868 8.9925 8.9926 k = 0.0540 0.0936-0.0251 ( 6985 PWs) bands (ev): -10.4377 -10.4377 -9.1619 -9.1619 -7.1854 -7.1854 -7.1351 -7.1351 -6.9285 -6.9285 -6.9038 -6.9038 -4.3680 -4.3680 -2.4977 -2.4977 -0.8686 -0.8686 -0.0611 -0.0611 0.0522 0.0522 0.3626 0.3626 0.3738 0.3738 2.0683 2.0683 2.7734 2.7734 2.8706 2.8706 3.2091 3.2091 3.3835 3.3835 3.4899 3.4899 3.6048 3.6048 3.6232 3.6232 3.7210 3.7210 3.9678 3.9678 4.3049 4.3049 4.4358 4.4358 5.9294 5.9294 5.9719 5.9719 6.0263 6.0263 6.3131 6.3131 6.3351 6.3351 6.4029 6.4029 7.0669 7.0669 7.1030 7.1030 7.2736 7.2736 7.3483 7.3483 8.7269 8.7269 9.0144 9.0144 k = 0.0631 0.1092-0.0293 ( 6987 PWs) bands (ev): -10.4323 -10.4323 -9.1579 -9.1579 -7.2034 -7.2034 -7.1384 -7.1384 -6.9360 -6.9360 -6.9099 -6.9099 -4.3464 -4.3464 -2.4905 -2.4905 -0.8573 -0.8573 -0.0573 -0.0573 0.0672 0.0672 0.3453 0.3453 0.3973 0.3973 2.1130 2.1130 2.7273 2.7273 2.8786 2.8786 3.2178 3.2178 3.4124 3.4124 3.4744 3.4744 3.5878 3.5878 3.6070 3.6070 3.7141 3.7141 3.9800 3.9800 4.2370 4.2370 4.4185 4.4185 5.9297 5.9297 5.9700 5.9700 6.0248 6.0248 6.3158 6.3158 6.3403 6.3403 6.4051 6.4051 7.0626 7.0626 7.0701 7.0701 7.2664 7.2664 7.3540 7.3540 8.7701 8.7701 9.0350 9.0350 k = 0.0721 0.1248-0.0335 ( 6989 PWs) bands (ev): -10.4263 -10.4263 -9.1534 -9.1534 -7.2235 -7.2235 -7.1422 -7.1422 -6.9445 -6.9445 -6.9167 -6.9167 -4.3221 -4.3221 -2.4823 -2.4823 -0.8444 -0.8444 -0.0530 -0.0530 0.0842 0.0842 0.3237 0.3237 0.4278 0.4278 2.1617 2.1617 2.6819 2.6819 2.8870 2.8870 3.2276 3.2276 3.4026 3.4026 3.4847 3.4847 3.5731 3.5731 3.5917 3.5917 3.7077 3.7077 3.9899 3.9899 4.1658 4.1658 4.4002 4.4002 5.9284 5.9284 5.9676 5.9676 6.0229 6.0229 6.3181 6.3181 6.3465 6.3465 6.4081 6.4081 7.0338 7.0338 7.0603 7.0603 7.2578 7.2578 7.3605 7.3605 8.8146 8.8146 9.0529 9.0529 k = 0.0811 0.1405-0.0377 ( 6998 PWs) bands (ev): -10.4195 -10.4195 -9.1483 -9.1483 -7.2453 -7.2453 -7.1466 -7.1466 -6.9539 -6.9539 -6.9242 -6.9242 -4.2956 -4.2956 -2.4730 -2.4730 -0.8299 -0.8299 -0.0482 -0.0482 0.1028 0.1028 0.3016 0.3016 0.4618 0.4618 2.2131 2.2131 2.6377 2.6377 2.8955 2.8955 3.2387 3.2387 3.3669 3.3669 3.5004 3.5004 3.5647 3.5647 3.5806 3.5806 3.7020 3.7020 3.9915 3.9915 4.1003 4.1003 4.3810 4.3810 5.9248 5.9248 5.9653 5.9653 6.0206 6.0206 6.3203 6.3203 6.3531 6.3531 6.4121 6.4121 6.9988 6.9988 7.0566 7.0566 7.2479 7.2479 7.3677 7.3677 8.8587 8.8587 9.0668 9.0668 k = 0.0901 0.1561-0.0418 ( 7004 PWs) bands (ev): -10.4121 -10.4121 -9.1428 -9.1428 -7.2685 -7.2685 -7.1517 -7.1517 -6.9640 -6.9640 -6.9323 -6.9323 -4.2670 -4.2670 -2.4629 -2.4629 -0.8139 -0.8139 -0.0432 -0.0432 0.1229 0.1229 0.2799 0.2799 0.4991 0.4991 2.2663 2.2663 2.5947 2.5947 2.9037 2.9037 3.2507 3.2507 3.3221 3.3221 3.4988 3.4988 3.5526 3.5526 3.5872 3.5872 3.6975 3.6975 3.9660 3.9660 4.0639 4.0639 4.3609 4.3609 5.9184 5.9184 5.9632 5.9632 6.0179 6.0179 6.3223 6.3223 6.3598 6.3598 6.4174 6.4174 6.9642 6.9642 7.0533 7.0533 7.2368 7.2368 7.3756 7.3756 8.9001 8.9001 9.0761 9.0761 k = 0.0991 0.1717-0.0460 ( 7012 PWs) bands (ev): -10.4041 -10.4041 -9.1368 -9.1368 -7.2928 -7.2928 -7.1576 -7.1576 -6.9747 -6.9747 -6.9408 -6.9408 -4.2367 -4.2367 -2.4518 -2.4518 -0.7965 -0.7965 -0.0379 -0.0379 0.1442 0.1442 0.2592 0.2592 0.5393 0.5393 2.3201 2.3201 2.5532 2.5532 2.9112 2.9112 3.2635 3.2635 3.2721 3.2721 3.4857 3.4857 3.5366 3.5366 3.5962 3.5962 3.6941 3.6941 3.9175 3.9175 4.0610 4.0610 4.3404 4.3404 5.9087 5.9087 5.9615 5.9615 6.0148 6.0148 6.3243 6.3243 6.3662 6.3662 6.4239 6.4239 6.9308 6.9308 7.0507 7.0507 7.2245 7.2245 7.3840 7.3840 8.9365 8.9365 9.0809 9.0809 k = 0.1081 0.1873-0.0502 ( 7014 PWs) bands (ev): -10.3956 -10.3956 -9.1305 -9.1305 -7.3180 -7.3180 -7.1642 -7.1642 -6.9860 -6.9860 -6.9497 -6.9497 -4.2050 -4.2050 -2.4399 -2.4399 -0.7778 -0.7778 -0.0327 -0.0327 0.1663 0.1663 0.2401 0.2401 0.5819 0.5819 2.3733 2.3733 2.5132 2.5132 2.9178 2.9178 3.2184 3.2184 3.2768 3.2768 3.4671 3.4671 3.5207 3.5207 3.5861 3.5861 3.6921 3.6921 3.8812 3.8812 4.0686 4.0686 4.3197 4.3197 5.8958 5.8958 5.9600 5.9600 6.0112 6.0112 6.3263 6.3263 6.3721 6.3721 6.4314 6.4314 6.8992 6.8992 7.0491 7.0491 7.2110 7.2110 7.3927 7.3927 8.9646 8.9646 9.0830 9.0830 k = 0.1171 0.2029-0.0544 ( 7014 PWs) bands (ev): -10.3867 -10.3867 -9.1238 -9.1238 -7.3437 -7.3437 -7.1717 -7.1717 -6.9977 -6.9977 -6.9589 -6.9589 -4.1720 -4.1720 -2.4272 -2.4272 -0.7577 -0.7577 -0.0279 -0.0279 0.1890 0.1890 0.2234 0.2234 0.6267 0.6267 2.4243 2.4243 2.4748 2.4748 2.9232 2.9232 3.1624 3.1624 3.2902 3.2902 3.4415 3.4415 3.5062 3.5062 3.5512 3.5512 3.6920 3.6920 3.8727 3.8727 4.0788 4.0788 4.2991 4.2991 5.8802 5.8802 5.9586 5.9586 6.0072 6.0072 6.3284 6.3284 6.3776 6.3776 6.4398 6.4398 6.8699 6.8699 7.0488 7.0488 7.1965 7.1965 7.4017 7.4017 8.9792 8.9792 9.0865 9.0865 k = 0.1261 0.2185-0.0586 ( 7014 PWs) bands (ev): -10.3773 -10.3773 -9.1169 -9.1169 -7.3696 -7.3696 -7.1800 -7.1800 -7.0096 -7.0096 -6.9682 -6.9682 -4.1381 -4.1381 -2.4139 -2.4139 -0.7364 -0.7364 -0.0236 -0.0236 0.2076 0.2076 0.2139 0.2139 0.6731 0.6731 2.4380 2.4380 2.4716 2.4716 2.9275 2.9275 3.1047 3.1047 3.3030 3.3030 3.4000 3.4000 3.4929 3.4929 3.5098 3.5098 3.6943 3.6943 3.8861 3.8861 4.0898 4.0898 4.2792 4.2792 5.8619 5.8619 5.9570 5.9570 6.0026 6.0026 6.3304 6.3304 6.3827 6.3827 6.4487 6.4487 6.8435 6.8435 7.0499 7.0499 7.1810 7.1810 7.4106 7.4106 8.9766 8.9766 9.0955 9.0955 k = 0.1351 0.2341-0.0628 ( 7018 PWs) bands (ev): -10.3676 -10.3676 -9.1097 -9.1097 -7.3955 -7.3955 -7.1893 -7.1893 -7.0217 -7.0217 -6.9775 -6.9775 -4.1036 -4.1036 -2.3999 -2.3999 -0.7140 -0.7140 -0.0204 -0.0204 0.1988 0.1988 0.2351 0.2351 0.7207 0.7207 2.4026 2.4026 2.5133 2.5133 2.9311 2.9311 3.0465 3.0465 3.3129 3.3129 3.3367 3.3367 3.4718 3.4718 3.4914 3.4914 3.6997 3.6997 3.9106 3.9106 4.1010 4.1010 4.2604 4.2604 5.8413 5.8413 5.9550 5.9550 5.9974 5.9974 6.3324 6.3324 6.3874 6.3874 6.4577 6.4577 6.8203 6.8203 7.0527 7.0527 7.1646 7.1646 7.4192 7.4192 8.9588 8.9588 9.1084 9.1084 k = 0.1441 0.2497-0.0669 ( 7020 PWs) bands (ev): -10.3577 -10.3577 -9.1024 -9.1024 -7.4210 -7.4210 -7.1996 -7.1996 -7.0337 -7.0337 -6.9868 -6.9868 -4.0687 -4.0687 -2.3854 -2.3854 -0.6905 -0.6905 -0.0185 -0.0185 0.1927 0.1927 0.2570 0.2570 0.7687 0.7687 2.3685 2.3685 2.5473 2.5473 2.9346 2.9346 2.9886 2.9886 3.2545 3.2545 3.3248 3.3248 3.4515 3.4515 3.4879 3.4879 3.7086 3.7086 3.9391 3.9391 4.1126 4.1126 4.2432 4.2432 5.8187 5.8187 5.9525 5.9525 5.9914 5.9914 6.3345 6.3345 6.3917 6.3917 6.4665 6.4665 6.8005 6.8005 7.0575 7.0575 7.1474 7.1474 7.4275 7.4275 8.9306 8.9306 9.1213 9.1213 k = 0.1531 0.2653-0.0711 ( 7016 PWs) bands (ev): -10.3476 -10.3476 -9.0949 -9.0949 -7.4460 -7.4460 -7.2108 -7.2108 -7.0457 -7.0457 -6.9959 -6.9959 -4.0336 -4.0336 -2.3704 -2.3704 -0.6660 -0.6660 -0.0181 -0.0181 0.1910 0.1910 0.2778 0.2778 0.8166 0.8166 2.3354 2.3354 2.5719 2.5719 2.9297 2.9297 2.9414 2.9414 3.1707 3.1707 3.3307 3.3307 3.4353 3.4353 3.4905 3.4905 3.7218 3.7218 3.9678 3.9678 4.1248 4.1248 4.2282 4.2282 5.7944 5.7944 5.9495 5.9495 5.9848 5.9848 6.3367 6.3367 6.3957 6.3957 6.4749 6.4749 6.7845 6.7845 7.0644 7.0644 7.1297 7.1297 7.4352 7.4352 8.8953 8.8953 9.1318 9.1318 k = 0.1621 0.2809-0.0753 ( 7022 PWs) bands (ev): -10.3374 -10.3374 -9.0874 -9.0874 -7.4702 -7.4702 -7.2231 -7.2231 -7.0574 -7.0574 -7.0048 -7.0048 -3.9986 -3.9986 -2.3551 -2.3551 -0.6407 -0.6407 -0.0190 -0.0190 0.1938 0.1938 0.2968 0.2968 0.8636 0.8636 2.3027 2.3027 2.5855 2.5855 2.8764 2.8764 2.9461 2.9461 3.0877 3.0877 3.3338 3.3338 3.4214 3.4214 3.4981 3.4981 3.7394 3.7394 3.9942 3.9942 4.1383 4.1383 4.2162 4.2162 5.7687 5.7687 5.9459 5.9459 5.9774 5.9774 6.3389 6.3389 6.3992 6.3992 6.4826 6.4826 6.7725 6.7725 7.0734 7.0734 7.1115 7.1115 7.4420 7.4420 8.8548 8.8548 9.1386 9.1386 k = 0.1712 0.2965-0.0795 ( 7020 PWs) bands (ev): -10.3272 -10.3272 -9.0799 -9.0799 -7.4933 -7.4933 -7.2363 -7.2363 -7.0687 -7.0687 -7.0134 -7.0134 -3.9639 -3.9639 -2.3396 -2.3396 -0.6145 -0.6145 -0.0210 -0.0210 0.2009 0.2009 0.3135 0.3135 0.9086 0.9086 2.2697 2.2697 2.5879 2.5879 2.8250 2.8250 2.9537 2.9537 3.0094 3.0094 3.3341 3.3341 3.4091 3.4091 3.5094 3.5094 3.7617 3.7617 4.0166 4.0166 4.1536 4.1536 4.2080 4.2080 5.7418 5.7418 5.9414 5.9414 5.9693 5.9693 6.3412 6.3412 6.4022 6.4022 6.4897 6.4897 6.7644 6.7644 7.0839 7.0839 7.0937 7.0937 7.4477 7.4477 8.8104 8.8104 9.1413 9.1413 k = 0.1802 0.3121-0.0837 ( 7008 PWs) bands (ev): -10.3171 -10.3171 -9.0725 -9.0725 -7.5151 -7.5151 -7.2504 -7.2504 -7.0795 -7.0795 -7.0217 -7.0217 -3.9297 -3.9297 -2.3239 -2.3239 -0.5877 -0.5877 -0.0236 -0.0236 0.2118 0.2118 0.3274 0.3274 0.9508 0.9508 2.2359 2.2359 2.5799 2.5799 2.7777 2.7777 2.9359 2.9359 2.9646 2.9646 3.3320 3.3320 3.3979 3.3979 3.5235 3.5235 3.7880 3.7880 4.0339 4.0339 4.1701 4.1701 4.2053 4.2053 5.7143 5.7143 5.9361 5.9361 5.9607 5.9607 6.3436 6.3436 6.4049 6.4049 6.4960 6.4960 6.7603 6.7603 7.0740 7.0740 7.0985 7.0985 7.4523 7.4523 8.7630 8.7630 9.1401 9.1401 k = 0.1892 0.3277-0.0879 ( 7012 PWs) bands (ev): -10.3071 -10.3071 -9.0653 -9.0653 -7.5355 -7.5355 -7.2655 -7.2655 -7.0897 -7.0897 -7.0296 -7.0296 -3.8963 -3.8963 -2.3083 -2.3083 -0.5603 -0.5603 -0.0262 -0.0262 0.2262 0.2262 0.3380 0.3380 0.9889 0.9889 2.2006 2.2006 2.5631 2.5631 2.7358 2.7358 2.8741 2.8741 2.9726 2.9726 3.3277 3.3277 3.3876 3.3876 3.5396 3.5396 3.8169 3.8169 4.0460 4.0460 4.1857 4.1857 4.2112 4.2112 5.6862 5.6862 5.9297 5.9297 5.9517 5.9517 6.3460 6.3460 6.4071 6.4071 6.5017 6.5017 6.7599 6.7599 7.0558 7.0558 7.1135 7.1135 7.4555 7.4555 8.7134 8.7134 9.1352 9.1352 k = 0.1982 0.3433-0.0920 ( 7006 PWs) bands (ev): -10.2974 -10.2974 -9.0582 -9.0582 -7.5542 -7.5542 -7.2814 -7.2814 -7.0991 -7.0991 -7.0372 -7.0372 -3.8638 -3.8638 -2.2927 -2.2927 -0.5324 -0.5324 -0.0283 -0.0283 0.2435 0.2435 0.3447 0.3447 1.0217 1.0217 2.1635 2.1635 2.5392 2.5392 2.7004 2.7004 2.8220 2.8220 2.9801 2.9801 3.3215 3.3215 3.3782 3.3782 3.5573 3.5573 3.8465 3.8465 4.0535 4.0535 4.1991 4.1991 4.2268 4.2268 5.6580 5.6580 5.9219 5.9219 5.9428 5.9428 6.3485 6.3485 6.4091 6.4091 6.5067 6.5067 6.7631 6.7631 7.0381 7.0381 7.1301 7.1301 7.4572 7.4572 8.6624 8.6624 9.1275 9.1275 k = 0.2072 0.3589-0.0962 ( 7004 PWs) bands (ev): -10.2881 -10.2881 -9.0514 -9.0514 -7.5710 -7.5710 -7.2980 -7.2980 -7.1077 -7.1077 -7.0445 -7.0445 -3.8324 -3.8324 -2.2774 -2.2774 -0.5041 -0.5041 -0.0297 -0.0297 0.2634 0.2634 0.3471 0.3471 1.0478 1.0478 2.1251 2.1251 2.5100 2.5100 2.6723 2.6723 2.7811 2.7811 2.9854 2.9854 3.3133 3.3133 3.3696 3.3696 3.5765 3.5765 3.8746 3.8746 4.0573 4.0573 4.2156 4.2156 4.2473 4.2473 5.6299 5.6299 5.9125 5.9125 5.9341 5.9341 6.3511 6.3511 6.4109 6.4109 6.5112 6.5112 6.7693 6.7693 7.0214 7.0214 7.1481 7.1481 7.4573 7.4573 8.6105 8.6105 9.1177 9.1177 k = 0.2162 0.3745-0.1004 ( 7010 PWs) bands (ev): -10.2791 -10.2791 -9.0449 -9.0449 -7.5859 -7.5859 -7.3152 -7.3152 -7.1155 -7.1155 -7.0514 -7.0514 -3.8023 -3.8023 -2.2624 -2.2624 -0.4757 -0.4757 -0.0299 -0.0299 0.2856 0.2856 0.3448 0.3448 1.0658 1.0658 2.0867 2.0867 2.4768 2.4768 2.6519 2.6519 2.7519 2.7519 2.9881 2.9881 3.3032 3.3032 3.3619 3.3619 3.5971 3.5971 3.8992 3.8992 4.0579 4.0579 4.2385 4.2385 4.2688 4.2688 5.6024 5.6024 5.9015 5.9015 5.9256 5.9256 6.3537 6.3537 6.4127 6.4127 6.5152 6.5152 6.7780 6.7780 7.0061 7.0061 7.1667 7.1667 7.4558 7.4558 8.5584 8.5584 9.1064 9.1064 k = 0.2252 0.3901-0.1046 ( 7005 PWs) bands (ev): -10.2707 -10.2707 -9.0387 -9.0387 -7.5987 -7.5987 -7.3330 -7.3330 -7.1222 -7.1222 -7.0579 -7.0579 -3.7737 -3.7737 -2.2478 -2.2478 -0.4471 -0.4471 -0.0287 -0.0287 0.3098 0.3098 0.3379 0.3379 1.0746 1.0746 2.0500 2.0500 2.4407 2.4407 2.6393 2.6393 2.7342 2.7342 2.9880 2.9880 3.2912 3.2912 3.3550 3.3550 3.6193 3.6193 3.9191 3.9191 4.0558 4.0558 4.2681 4.2681 4.2904 4.2904 5.5757 5.5757 5.8894 5.8894 5.9173 5.9173 6.3563 6.3563 6.4147 6.4147 6.5188 6.5188 6.7885 6.7885 6.9929 6.9929 7.1854 7.1854 7.4529 7.4529 8.5068 8.5068 9.0944 9.0944 k = 0.2342 0.4057-0.1088 ( 7007 PWs) bands (ev): -10.2628 -10.2628 -9.0330 -9.0330 -7.6093 -7.6093 -7.3512 -7.3512 -7.1278 -7.1278 -7.0642 -7.0642 -3.7467 -3.7467 -2.2339 -2.2339 -0.4186 -0.4186 -0.0262 -0.0262 0.3253 0.3253 0.3366 0.3366 1.0733 1.0733 2.0171 2.0171 2.4026 2.4026 2.6339 2.6339 2.7271 2.7271 2.9851 2.9851 3.2773 3.2773 3.3491 3.3491 3.6428 3.6428 3.9341 3.9341 4.0513 4.0513 4.2980 4.2980 4.3164 4.3164 5.5502 5.5502 5.8763 5.8763 5.9090 5.9090 6.3590 6.3590 6.4169 6.4169 6.5222 6.5222 6.7995 6.7995 6.9830 6.9830 7.2034 7.2034 7.4489 7.4489 8.4562 8.4562 9.0821 9.0821 k = 0.2432 0.4214-0.1130 ( 7010 PWs) bands (ev): -10.2555 -10.2555 -9.0277 -9.0277 -7.6176 -7.6176 -7.3697 -7.3697 -7.1323 -7.1323 -7.0702 -7.0702 -3.7216 -3.7216 -2.2207 -2.2207 -0.3902 -0.3902 -0.0221 -0.0221 0.3090 0.3090 0.3642 0.3642 1.0615 1.0615 1.9899 1.9899 2.3630 2.3630 2.6353 2.6353 2.7297 2.7297 2.9796 2.9796 3.2617 3.2617 3.3443 3.3443 3.6678 3.6678 3.9449 3.9449 4.0447 4.0447 4.3181 4.3181 4.3548 4.3548 5.5262 5.5262 5.8629 5.8629 5.9005 5.9005 6.3618 6.3618 6.4194 6.4194 6.5253 6.5253 6.8096 6.8096 6.9779 6.9779 7.2197 7.2197 7.4444 7.4444 8.4072 8.4072 9.0699 9.0699 k = 0.2522 0.4370-0.1171 ( 7007 PWs) bands (ev): -10.2489 -10.2489 -9.0229 -9.0229 -7.6236 -7.6236 -7.3885 -7.3885 -7.1357 -7.1357 -7.0760 -7.0760 -3.6984 -3.6984 -2.2083 -2.2083 -0.3623 -0.3623 -0.0165 -0.0165 0.2878 0.2878 0.3936 0.3936 1.0398 1.0398 1.9696 1.9696 2.3226 2.3226 2.6426 2.6426 2.7407 2.7407 2.9717 2.9717 3.2444 3.2444 3.3407 3.3407 3.6940 3.6940 3.9524 3.9524 4.0363 4.0363 4.3325 4.3325 4.3990 4.3990 5.5040 5.5040 5.8493 5.8493 5.8919 5.8919 6.3646 6.3646 6.4221 6.4221 6.5281 6.5281 6.8171 6.8171 6.9791 6.9791 7.2331 7.2331 7.4401 7.4401 8.3604 8.3604 9.0583 9.0583 k = 0.2612 0.4526-0.1213 ( 7015 PWs) bands (ev): -10.2430 -10.2430 -9.0186 -9.0186 -7.6272 -7.6272 -7.4075 -7.4075 -7.1379 -7.1379 -7.0815 -7.0815 -3.6774 -3.6774 -2.1968 -2.1968 -0.3349 -0.3349 -0.0093 -0.0093 0.2627 0.2627 0.4245 0.4245 1.0090 1.0090 1.9568 1.9568 2.2818 2.2818 2.6549 2.6549 2.7585 2.7585 2.9617 2.9617 3.2258 3.2258 3.3384 3.3384 3.7214 3.7214 3.9572 3.9572 4.0262 4.0262 4.3435 4.3435 4.4444 4.4444 5.4838 5.4838 5.8360 5.8360 5.8829 5.8829 6.3674 6.3674 6.4251 6.4251 6.5308 6.5308 6.8206 6.8206 6.9880 6.9880 7.2420 7.2420 7.4372 7.4372 8.3163 8.3163 9.0475 9.0475 k = 0.2702 0.4682-0.1255 ( 7015 PWs) bands (ev): -10.2378 -10.2378 -9.0148 -9.0148 -7.6283 -7.6283 -7.4265 -7.4265 -7.1389 -7.1389 -7.0867 -7.0867 -3.6586 -3.6586 -2.1863 -2.1863 -0.3084 -0.3084 -0.0006 -0.0006 0.2341 0.2341 0.4569 0.4569 0.9710 0.9710 1.9515 1.9515 2.2410 2.2410 2.6713 2.6713 2.7818 2.7818 2.9499 2.9499 3.2061 3.2061 3.3373 3.3373 3.7498 3.7498 3.9599 3.9599 4.0146 4.0146 4.3516 4.3516 4.4887 4.4887 5.4659 5.4659 5.8234 5.8234 5.8737 5.8737 6.3702 6.3702 6.4283 6.4283 6.5332 6.5332 6.8202 6.8202 7.0046 7.0046 7.2454 7.2454 7.4366 7.4366 8.2755 8.2755 9.0377 9.0377 k = 0.2793 0.4838-0.1297 ( 7020 PWs) bands (ev): -10.2334 -10.2334 -9.0115 -9.0115 -7.6271 -7.6271 -7.4454 -7.4454 -7.1388 -7.1388 -7.0918 -7.0918 -3.6422 -3.6422 -2.1770 -2.1770 -0.2832 -0.2832 0.0096 0.0096 0.2029 0.2029 0.4905 0.4905 0.9276 0.9276 1.9532 1.9532 2.2005 2.2005 2.6906 2.6906 2.8090 2.8090 2.9365 2.9365 3.1854 3.1854 3.3376 3.3376 3.7791 3.7791 3.9609 3.9609 4.0019 4.0019 4.3569 4.3569 4.5302 4.5302 5.4504 5.4504 5.8121 5.8121 5.8643 5.8643 6.3730 6.3730 6.4317 6.4317 6.5354 6.5354 6.8166 6.8166 7.0277 7.0277 7.2423 7.2423 7.4389 7.4389 8.2384 8.2384 9.0290 9.0290 k = 0.2883 0.4994-0.1339 ( 7020 PWs) bands (ev): -10.2297 -10.2297 -9.0088 -9.0088 -7.6235 -7.6235 -7.4643 -7.4643 -7.1376 -7.1376 -7.0966 -7.0966 -3.6282 -3.6282 -2.1690 -2.1690 -0.2596 -0.2596 0.0211 0.0211 0.1700 0.1700 0.5252 0.5252 0.8805 0.8805 1.9613 1.9613 2.1605 2.1605 2.7119 2.7119 2.8388 2.8388 2.9218 2.9218 3.1641 3.1641 3.3394 3.3394 3.8090 3.8090 3.9602 3.9602 3.9882 3.9882 4.3597 4.3597 4.5675 4.5675 5.4374 5.4374 5.8023 5.8023 5.8548 5.8548 6.3757 6.3757 6.4352 6.4352 6.5375 6.5375 6.8114 6.8114 7.0561 7.0561 7.2330 7.2330 7.4438 7.4438 8.2057 8.2057 9.0217 9.0217 k = 0.2973 0.5150-0.1381 ( 7018 PWs) bands (ev): -10.2268 -10.2268 -9.0066 -9.0066 -7.6175 -7.6175 -7.4829 -7.4829 -7.1353 -7.1353 -7.1012 -7.1012 -3.6167 -3.6167 -2.1622 -2.1622 -0.2385 -0.2385 0.0338 0.0338 0.1366 0.1366 0.5610 0.5610 0.8317 0.8317 1.9753 1.9753 2.1214 2.1214 2.7340 2.7340 2.8697 2.8697 2.9060 2.9060 3.1424 3.1424 3.3427 3.3427 3.8393 3.8393 3.9574 3.9574 3.9746 3.9746 4.3604 4.3604 4.5994 4.5994 5.4272 5.4272 5.7947 5.7947 5.8452 5.8452 6.3783 6.3783 6.4386 6.4386 6.5392 6.5392 6.8054 6.8054 7.0884 7.0884 7.2182 7.2182 7.4504 7.4504 8.1778 8.1778 9.0157 9.0157 k = 0.3063 0.5306-0.1422 ( 7018 PWs) bands (ev): -10.2246 -10.2246 -9.0048 -9.0048 -7.6094 -7.6094 -7.5013 -7.5013 -7.1320 -7.1320 -7.1056 -7.1056 -3.6078 -3.6078 -2.1568 -2.1568 -0.2207 -0.2207 0.0477 0.0477 0.1043 0.1043 0.5977 0.5977 0.7827 0.7827 1.9944 1.9944 2.0834 2.0834 2.7561 2.7561 2.8889 2.8889 2.9007 2.9007 3.1205 3.1205 3.3476 3.3476 3.8696 3.8696 3.9497 3.9497 3.9644 3.9644 4.3593 4.3593 4.6250 4.6250 5.4196 5.4196 5.7897 5.7897 5.8356 5.8356 6.3806 6.3806 6.4421 6.4421 6.5407 6.5407 6.7996 6.7996 7.1236 7.1236 7.1991 7.1991 7.4577 7.4577 8.1552 8.1552 9.0113 9.0113 k = 0.3153 0.5462-0.1464 ( 7017 PWs) bands (ev): -10.2232 -10.2232 -9.0036 -9.0036 -7.5991 -7.5991 -7.5194 -7.5194 -7.1278 -7.1278 -7.1098 -7.1098 -3.6015 -3.6015 -2.1528 -2.1528 -0.2078 -0.2078 0.0625 0.0625 0.0750 0.0750 0.6353 0.6353 0.7348 0.7348 2.0175 2.0175 2.0472 2.0472 2.7773 2.7773 2.8715 2.8715 2.9301 2.9301 3.0985 3.0985 3.3540 3.3540 3.8989 3.8989 3.9358 3.9358 3.9601 3.9601 4.3569 4.3569 4.6437 4.6437 5.4148 5.4148 5.7875 5.7875 5.8260 5.8260 6.3825 6.3825 6.4454 6.4454 6.5418 6.5418 6.7943 6.7943 7.1607 7.1607 7.1767 7.1767 7.4648 7.4648 8.1384 8.1384 9.0083 9.0083 k = 0.3243 0.5618-0.1506 ( 7015 PWs) bands (ev): -10.2224 -10.2224 -9.0028 -9.0028 -7.5869 -7.5869 -7.5370 -7.5370 -7.1229 -7.1229 -7.1136 -7.1136 -3.5978 -3.5978 -2.1503 -2.1503 -0.2016 -0.2016 0.0503 0.0503 0.0786 0.0786 0.6734 0.6734 0.6893 0.6893 2.0096 2.0096 2.0477 2.0477 2.7967 2.7967 2.8535 2.8535 2.9574 2.9574 3.0768 3.0768 3.3618 3.3618 3.9150 3.9150 3.9278 3.9278 3.9617 3.9617 4.3535 4.3535 4.6550 4.6550 5.4126 5.4126 5.7883 5.7883 5.8167 5.8167 6.3839 6.3839 6.4486 6.4486 6.5426 6.5426 6.7899 6.7899 7.1516 7.1516 7.1993 7.1993 7.4712 7.4712 8.1279 8.1279 9.0068 9.0068 k = 0.3333 0.5774-0.1548 ( 7007 PWs) bands (ev): -10.2222 -10.2222 -9.0024 -9.0024 -7.5729 -7.5729 -7.5542 -7.5542 -7.1190 -7.1190 -7.1155 -7.1155 -3.5966 -3.5966 -2.1492 -2.1492 -0.2041 -0.2041 0.0333 0.0333 0.0949 0.0949 0.6464 0.6464 0.7125 0.7125 1.9760 1.9760 2.0790 2.0790 2.8120 2.8120 2.8369 2.8369 2.9816 2.9816 3.0555 3.0555 3.3709 3.3709 3.8990 3.8990 3.9357 3.9357 3.9783 3.9783 4.3494 4.3494 4.6588 4.6588 5.4132 5.4132 5.7915 5.7915 5.8083 5.8083 6.3847 6.3847 6.4516 6.4516 6.5430 6.5430 6.7868 6.7868 7.1248 7.1248 7.2381 7.2381 7.4768 7.4768 8.1243 8.1243 9.0068 9.0068 k = 0.3333 0.5774-0.1548 ( 7007 PWs) bands (ev): -10.2222 -10.2222 -9.0024 -9.0024 -7.5729 -7.5729 -7.5542 -7.5542 -7.1190 -7.1190 -7.1155 -7.1155 -3.5966 -3.5966 -2.1492 -2.1492 -0.2041 -0.2041 0.0333 0.0333 0.0949 0.0949 0.6464 0.6464 0.7125 0.7125 1.9760 1.9760 2.0790 2.0790 2.8120 2.8120 2.8369 2.8369 2.9816 2.9816 3.0555 3.0555 3.3709 3.3709 3.8990 3.8990 3.9357 3.9357 3.9783 3.9783 4.3494 4.3494 4.6588 4.6588 5.4132 5.4132 5.7915 5.7915 5.8083 5.8083 6.3847 6.3847 6.4516 6.4516 6.5430 6.5430 6.7868 6.7868 7.1248 7.1248 7.2381 7.2381 7.4768 7.4768 8.1243 8.1243 9.0068 9.0068 k = 0.3361 0.5822-0.1369 ( 7009 PWs) bands (ev): -10.2208 -10.2208 -9.0050 -9.0050 -7.5688 -7.5688 -7.5536 -7.5536 -7.1260 -7.1260 -7.1141 -7.1141 -3.5954 -3.5954 -2.1469 -2.1469 -0.2051 -0.2051 0.0383 0.0383 0.1082 0.1082 0.6401 0.6401 0.7174 0.7174 1.9705 1.9705 2.0706 2.0706 2.8079 2.8079 2.8303 2.8303 2.9947 2.9947 3.0610 3.0610 3.3508 3.3508 3.9046 3.9046 3.9366 3.9366 3.9708 3.9708 4.3506 4.3506 4.6575 4.6575 5.4082 5.4082 5.7898 5.7898 5.8059 5.8059 6.3876 6.3876 6.4557 6.4557 6.5429 6.5429 6.7741 6.7741 7.1114 7.1114 7.2480 7.2480 7.4772 7.4772 8.1235 8.1235 9.0051 9.0051 k = 0.3388 0.5870-0.1190 ( 7011 PWs) bands (ev): -10.2190 -10.2190 -9.0085 -9.0085 -7.5643 -7.5643 -7.5527 -7.5527 -7.1341 -7.1341 -7.1120 -7.1120 -3.5935 -3.5935 -2.1444 -2.1444 -0.2069 -0.2069 0.0453 0.0453 0.1211 0.1211 0.6335 0.6335 0.7210 0.7210 1.9675 1.9675 2.0640 2.0640 2.8035 2.8035 2.8242 2.8242 3.0067 3.0067 3.0675 3.0675 3.3222 3.3222 3.9111 3.9111 3.9373 3.9373 3.9632 3.9632 4.3530 4.3530 4.6551 4.6551 5.4038 5.4038 5.7884 5.7884 5.8036 5.8036 6.3903 6.3903 6.4595 6.4595 6.5425 6.5425 6.7631 6.7631 7.0997 7.0997 7.2559 7.2559 7.4778 7.4778 8.1257 8.1257 9.0034 9.0034 k = 0.3416 0.5918-0.1012 ( 7009 PWs) bands (ev): -10.2168 -10.2168 -9.0127 -9.0127 -7.5595 -7.5595 -7.5516 -7.5516 -7.1425 -7.1425 -7.1101 -7.1101 -3.5911 -3.5911 -2.1416 -2.1416 -0.2091 -0.2091 0.0538 0.0538 0.1335 0.1335 0.6265 0.6265 0.7236 0.7236 1.9670 1.9670 2.0597 2.0597 2.7984 2.7984 2.8186 2.8186 3.0176 3.0176 3.0751 3.0751 3.2872 3.2872 3.9170 3.9170 3.9366 3.9366 3.9565 3.9565 4.3570 4.3570 4.6518 4.6518 5.4002 5.4002 5.7873 5.7873 5.8016 5.8016 6.3928 6.3928 6.4630 6.4630 6.5419 6.5419 6.7538 6.7538 7.0898 7.0898 7.2615 7.2615 7.4783 7.4783 8.1309 8.1309 9.0022 9.0022 k = 0.3444 0.5966-0.0833 ( 7006 PWs) bands (ev): -10.2143 -10.2143 -9.0177 -9.0177 -7.5544 -7.5544 -7.5500 -7.5500 -7.1510 -7.1510 -7.1084 -7.1084 -3.5882 -3.5882 -2.1387 -2.1387 -0.2115 -0.2115 0.0634 0.0634 0.1453 0.1453 0.6190 0.6190 0.7253 0.7253 1.9688 1.9688 2.0581 2.0581 2.7920 2.7920 2.8136 2.8136 3.0273 3.0273 3.0838 3.0838 3.2477 3.2477 3.9205 3.9205 3.9323 3.9323 3.9532 3.9532 4.3628 4.3628 4.6474 4.6474 5.3975 5.3975 5.7864 5.7864 5.7999 5.7999 6.3948 6.3948 6.4661 6.4661 6.5411 6.5411 6.7462 6.7462 7.0817 7.0817 7.2651 7.2651 7.4788 7.4788 8.1388 8.1388 9.0016 9.0016 k = 0.3471 0.6014-0.0654 ( 7006 PWs) bands (ev): -10.2115 -10.2115 -9.0232 -9.0232 -7.5502 -7.5502 -7.5472 -7.5472 -7.1594 -7.1594 -7.1071 -7.1071 -3.5849 -3.5849 -2.1357 -2.1357 -0.2137 -0.2137 0.0735 0.0735 0.1565 0.1565 0.6110 0.6110 0.7262 0.7262 1.9726 1.9726 2.0594 2.0594 2.7845 2.7845 2.8084 2.8084 3.0353 3.0353 3.0936 3.0936 3.2061 3.2061 3.9183 3.9183 3.9266 3.9266 3.9536 3.9536 4.3704 4.3704 4.6421 4.6421 5.3956 5.3956 5.7856 5.7856 5.7986 5.7986 6.3964 6.3964 6.4687 6.4687 6.5400 6.5400 6.7402 6.7402 7.0754 7.0754 7.2667 7.2667 7.4793 7.4793 8.1492 8.1492 9.0016 9.0016 k = 0.3499 0.6062-0.0475 ( 7010 PWs) bands (ev): -10.2085 -10.2085 -9.0293 -9.0293 -7.5482 -7.5482 -7.5416 -7.5416 -7.1678 -7.1678 -7.1060 -7.1060 -3.5813 -3.5813 -2.1325 -2.1325 -0.2155 -0.2155 0.0835 0.0835 0.1670 0.1670 0.6026 0.6026 0.7265 0.7265 1.9781 1.9781 2.0639 2.0639 2.7759 2.7759 2.8022 2.8022 3.0411 3.0411 3.1044 3.1044 3.1652 3.1652 3.9083 3.9083 3.9230 3.9230 3.9556 3.9556 4.3799 4.3799 4.6359 4.6359 5.3946 5.3946 5.7848 5.7848 5.7980 5.7980 6.3973 6.3973 6.4707 6.4707 6.5387 6.5387 6.7358 6.7358 7.0709 7.0709 7.2667 7.2667 7.4798 7.4798 8.1617 8.1617 9.0022 9.0022 k = 0.3527 0.6110-0.0297 ( 7009 PWs) bands (ev): -10.2053 -10.2053 -9.0358 -9.0358 -7.5467 -7.5467 -7.5352 -7.5352 -7.1760 -7.1760 -7.1052 -7.1052 -3.5774 -3.5774 -2.1293 -2.1293 -0.2168 -0.2168 0.0931 0.0931 0.1768 0.1768 0.5940 0.5940 0.7264 0.7264 1.9851 1.9851 2.0716 2.0716 2.7664 2.7664 2.7937 2.7937 3.0422 3.0422 3.1158 3.1158 3.1299 3.1299 3.8952 3.8952 3.9173 3.9173 3.9586 3.9586 4.3907 4.3907 4.6289 4.6289 5.3946 5.3946 5.7839 5.7839 5.7984 5.7984 6.3976 6.3976 6.4721 6.4721 6.5373 6.5373 6.7327 6.7327 7.0681 7.0681 7.2655 7.2655 7.4802 7.4802 8.1760 8.1760 9.0032 9.0032 k = 0.3554 0.6157-0.0118 ( 7007 PWs) bands (ev): -10.2019 -10.2019 -9.0426 -9.0426 -7.5455 -7.5455 -7.5283 -7.5283 -7.1839 -7.1839 -7.1047 -7.1047 -3.5734 -3.5734 -2.1262 -2.1262 -0.2175 -0.2175 0.1018 0.1018 0.1858 0.1858 0.5853 0.5853 0.7262 0.7262 1.9934 1.9934 2.0825 2.0825 2.7557 2.7557 2.7819 2.7819 3.0342 3.0342 3.1054 3.1054 3.1295 3.1295 3.8807 3.8807 3.9085 3.9085 3.9622 3.9622 4.4026 4.4026 4.6212 4.6212 5.3955 5.3955 5.7826 5.7826 5.7997 5.7997 6.3973 6.3973 6.4729 6.4729 6.5358 6.5358 6.7309 6.7309 7.0669 7.0669 7.2635 7.2635 7.4806 7.4806 8.1918 8.1918 9.0045 9.0045 k = 0.3582 0.6205 0.0061 ( 7008 PWs) bands (ev): -10.1985 -10.1985 -9.0496 -9.0496 -7.5446 -7.5446 -7.5210 -7.5210 -7.1914 -7.1914 -7.1044 -7.1044 -3.5694 -3.5694 -2.1231 -2.1231 -0.2176 -0.2176 0.1093 0.1093 0.1940 0.1940 0.5767 0.5767 0.7259 0.7259 2.0025 2.0025 2.0965 2.0965 2.7428 2.7428 2.7665 2.7665 3.0159 3.0159 3.0974 3.0974 3.1428 3.1428 3.8653 3.8653 3.8968 3.8968 3.9662 3.9662 4.4148 4.4148 4.6128 4.6128 5.3972 5.3972 5.7811 5.7811 5.8021 5.8021 6.3962 6.3962 6.4730 6.4730 6.5343 6.5343 6.7303 6.7303 7.0671 7.0671 7.2612 7.2612 7.4808 7.4808 8.2089 8.2089 9.0057 9.0057 k = 0.3610 0.6253 0.0240 ( 7004 PWs) bands (ev): -10.1951 -10.1951 -9.0567 -9.0567 -7.5440 -7.5440 -7.5134 -7.5134 -7.1983 -7.1983 -7.1045 -7.1045 -3.5655 -3.5655 -2.1201 -2.1201 -0.2171 -0.2171 0.1152 0.1152 0.2015 0.2015 0.5684 0.5684 0.7257 0.7257 2.0124 2.0124 2.1133 2.1133 2.7244 2.7244 2.7503 2.7503 2.9959 2.9959 3.0981 3.0981 3.1569 3.1569 3.8493 3.8493 3.8827 3.8827 3.9706 3.9706 4.4270 4.4270 4.6039 4.6039 5.3998 5.3998 5.7794 5.7794 5.8054 5.8054 6.3945 6.3945 6.4724 6.4724 6.5328 6.5328 6.7307 6.7307 7.0687 7.0687 7.2589 7.2589 7.4810 7.4810 8.2269 8.2269 9.0067 9.0067 k = 0.3637 0.6301 0.0418 ( 7010 PWs) bands (ev): -10.1917 -10.1917 -9.0636 -9.0636 -7.5440 -7.5440 -7.5053 -7.5053 -7.2045 -7.2045 -7.1048 -7.1048 -3.5619 -3.5619 -2.1173 -2.1173 -0.2162 -0.2162 0.1193 0.1193 0.2080 0.2080 0.5608 0.5608 0.7260 0.7260 2.0225 2.0225 2.1327 2.1327 2.6976 2.6976 2.7365 2.7365 2.9798 2.9798 3.1021 3.1021 3.1711 3.1711 3.8330 3.8330 3.8665 3.8665 3.9752 3.9752 4.4387 4.4387 4.5944 4.5944 5.4031 5.4031 5.7776 5.7776 5.8096 5.8096 6.3922 6.3922 6.4712 6.4712 6.5315 6.5315 6.7321 6.7321 7.0715 7.0715 7.2570 7.2570 7.4811 7.4811 8.2458 8.2458 9.0072 9.0072 k = 0.3665 0.6349 0.0597 ( 7007 PWs) bands (ev): -10.1885 -10.1885 -9.0704 -9.0704 -7.5445 -7.5445 -7.4970 -7.4970 -7.2100 -7.2100 -7.1053 -7.1053 -3.5586 -3.5586 -2.1147 -2.1147 -0.2148 -0.2148 0.1213 0.1213 0.2137 0.2137 0.5541 0.5541 0.7267 0.7267 2.0328 2.0328 2.1540 2.1540 2.6650 2.6650 2.7248 2.7248 2.9688 2.9688 3.1076 3.1076 3.1851 3.1851 3.8169 3.8169 3.8488 3.8488 3.9800 3.9800 4.4494 4.4494 4.5846 4.5846 5.4070 5.4070 5.7758 5.7758 5.8147 5.8147 6.3894 6.3894 6.4694 6.4694 6.5303 6.5303 6.7343 6.7343 7.0751 7.0751 7.2558 7.2558 7.4810 7.4810 8.2652 8.2652 9.0070 9.0070 k = 0.3693 0.6397 0.0776 ( 7015 PWs) bands (ev): -10.1855 -10.1855 -9.0768 -9.0768 -7.5458 -7.5458 -7.4884 -7.4884 -7.2145 -7.2145 -7.1060 -7.1060 -3.5557 -3.5557 -2.1124 -2.1124 -0.2132 -0.2132 0.1212 0.1212 0.2185 0.2185 0.5486 0.5486 0.7282 0.7282 2.0430 2.0430 2.1765 2.1765 2.6304 2.6304 2.7140 2.7140 2.9619 2.9619 3.1139 3.1139 3.1983 3.1983 3.8016 3.8016 3.8300 3.8300 3.9850 3.9850 4.4589 4.4589 4.5744 4.5744 5.4114 5.4114 5.7740 5.7740 5.8204 5.8204 6.3860 6.3860 6.4670 6.4670 6.5292 6.5292 6.7374 6.7374 7.0794 7.0794 7.2554 7.2554 7.4809 7.4809 8.2851 8.2851 9.0058 9.0058 k = 0.3720 0.6445 0.0955 ( 7015 PWs) bands (ev): -10.1829 -10.1829 -9.0828 -9.0828 -7.5478 -7.5478 -7.4795 -7.4795 -7.2181 -7.2181 -7.1069 -7.1069 -3.5535 -3.5535 -2.1104 -2.1104 -0.2116 -0.2116 0.1188 0.1188 0.2225 0.2225 0.5443 0.5443 0.7304 0.7304 2.0527 2.0527 2.1993 2.1993 2.5967 2.5967 2.7037 2.7037 2.9583 2.9583 3.1210 3.1210 3.2100 3.2100 3.7876 3.7876 3.8105 3.8105 3.9901 3.9901 4.4669 4.4669 4.5640 4.5640 5.4163 5.4163 5.7725 5.7725 5.8269 5.8269 6.3822 6.3822 6.4641 6.4641 6.5282 6.5282 6.7413 6.7413 7.0842 7.0842 7.2559 7.2559 7.4806 7.4806 8.3052 8.3052 9.0035 9.0035 k = 0.3748 0.6493 0.1134 ( 7014 PWs) bands (ev): -10.1805 -10.1805 -9.0882 -9.0882 -7.5506 -7.5506 -7.4705 -7.4705 -7.2206 -7.2206 -7.1079 -7.1079 -3.5519 -3.5519 -2.1089 -2.1089 -0.2102 -0.2102 0.1144 0.1144 0.2256 0.2256 0.5413 0.5413 0.7337 0.7337 2.0618 2.0618 2.2211 2.2211 2.5666 2.5666 2.6937 2.6937 2.9568 2.9568 3.1289 3.1289 3.2194 3.2194 3.7758 3.7758 3.7908 3.7908 3.9953 3.9953 4.4732 4.4732 4.5535 4.5535 5.4214 5.4214 5.7711 5.7711 5.8339 5.8339 6.3781 6.3781 6.4610 6.4610 6.5274 6.5274 6.7461 6.7461 7.0892 7.0892 7.2575 7.2575 7.4803 7.4803 8.3254 8.3254 9.0000 9.0000 k = 0.3776 0.6541 0.1312 ( 7016 PWs) bands (ev): -10.1786 -10.1786 -9.0929 -9.0929 -7.5543 -7.5543 -7.4614 -7.4614 -7.2221 -7.2221 -7.1089 -7.1089 -3.5511 -3.5511 -2.1077 -2.1077 -0.2094 -0.2094 0.1081 0.1081 0.2278 0.2278 0.5396 0.5396 0.7380 0.7380 2.0701 2.0701 2.2405 2.2405 2.5425 2.5425 2.6841 2.6841 2.9570 2.9570 3.1376 3.1376 3.2257 3.2257 3.7669 3.7669 3.7712 3.7712 4.0004 4.0004 4.4777 4.4777 4.5430 4.5430 5.4268 5.4268 5.7699 5.7699 5.8414 5.8414 6.3737 6.3737 6.4575 6.4575 6.5267 6.5267 6.7516 6.7516 7.0940 7.0940 7.2602 7.2602 7.4801 7.4801 8.3455 8.3455 8.9951 8.9951 k = 0.3803 0.6589 0.1491 ( 7019 PWs) bands (ev): -10.1772 -10.1772 -9.0968 -9.0968 -7.5588 -7.5588 -7.4522 -7.4522 -7.2225 -7.2225 -7.1099 -7.1099 -3.5511 -3.5511 -2.1070 -2.1070 -0.2093 -0.2093 0.1004 0.1004 0.2292 0.2292 0.5390 0.5390 0.7435 0.7435 2.0773 2.0773 2.2557 2.2557 2.5265 2.5265 2.6750 2.6750 2.9583 2.9583 3.1472 3.1472 3.2280 3.2280 3.7515 3.7515 3.7623 3.7623 4.0056 4.0056 4.4803 4.4803 4.5325 4.5325 5.4321 5.4321 5.7691 5.7691 5.8493 5.8493 6.3690 6.3690 6.4539 6.4539 6.5260 6.5260 6.7578 6.7578 7.0984 7.0984 7.2639 7.2639 7.4798 7.4798 8.3654 8.3654 8.9890 8.9890 k = 0.3803 0.6589 0.1491 ( 7019 PWs) bands (ev): -10.1772 -10.1772 -9.0968 -9.0968 -7.5588 -7.5588 -7.4522 -7.4522 -7.2225 -7.2225 -7.1099 -7.1099 -3.5511 -3.5511 -2.1070 -2.1070 -0.2093 -0.2093 0.1004 0.1004 0.2292 0.2292 0.5390 0.5390 0.7435 0.7435 2.0773 2.0773 2.2557 2.2557 2.5265 2.5265 2.6750 2.6750 2.9583 2.9583 3.1472 3.1472 3.2280 3.2280 3.7515 3.7515 3.7623 3.7623 4.0056 4.0056 4.4803 4.4803 4.5325 4.5325 5.4321 5.4321 5.7691 5.7691 5.8493 5.8493 6.3690 6.3690 6.4539 6.4539 6.5260 6.5260 6.7578 6.7578 7.0984 7.0984 7.2639 7.2639 7.4798 7.4798 8.3654 8.3654 8.9890 8.9890 k = 0.3756 0.6507 0.1646 ( 7018 PWs) bands (ev): -10.1757 -10.1757 -9.0968 -9.0968 -7.5552 -7.5552 -7.4599 -7.4599 -7.2166 -7.2166 -7.1172 -7.1172 -3.5482 -3.5482 -2.0983 -2.0983 -0.1876 -0.1876 0.0892 0.0892 0.2077 0.2077 0.5451 0.5451 0.7220 0.7220 2.1047 2.1047 2.2325 2.2325 2.5235 2.5235 2.6922 2.6922 2.9521 2.9521 3.1570 3.1570 3.2325 3.2325 3.7626 3.7626 3.7672 3.7672 4.0009 4.0009 4.4778 4.4778 4.5420 4.5420 5.4237 5.4237 5.7696 5.7696 5.8412 5.8412 6.3695 6.3695 6.4503 6.4503 6.5263 6.5263 6.7593 6.7593 7.1206 7.1206 7.2529 7.2529 7.4895 7.4895 8.3576 8.3576 8.9765 8.9765 k = 0.3709 0.6426 0.1801 ( 7020 PWs) bands (ev): -10.1745 -10.1745 -9.0965 -9.0965 -7.5523 -7.5523 -7.4673 -7.4673 -7.2097 -7.2097 -7.1245 -7.1245 -3.5458 -3.5458 -2.0902 -2.0902 -0.1663 -0.1663 0.0780 0.0780 0.1855 0.1855 0.5518 0.5518 0.7014 0.7014 2.1309 2.1309 2.2074 2.2074 2.5257 2.5257 2.7103 2.7103 2.9459 2.9459 3.1675 3.1675 3.2334 3.2334 3.7721 3.7721 3.7756 3.7756 3.9972 3.9972 4.4744 4.4744 4.5507 4.5507 5.4162 5.4162 5.7699 5.7699 5.8335 5.8335 6.3703 6.3703 6.4468 6.4468 6.5265 6.5265 6.7605 6.7605 7.1432 7.1432 7.2434 7.2434 7.4990 7.4990 8.3507 8.3507 8.9652 8.9652 k = 0.3662 0.6344 0.1955 ( 7028 PWs) bands (ev): -10.1736 -10.1736 -9.0960 -9.0960 -7.5498 -7.5498 -7.4745 -7.4745 -7.2019 -7.2019 -7.1318 -7.1318 -3.5440 -3.5440 -2.0828 -2.0828 -0.1460 -0.1460 0.0672 0.0672 0.1629 0.1629 0.5591 0.5591 0.6818 0.6818 2.1542 2.1542 2.1833 2.1833 2.5317 2.5317 2.7291 2.7291 2.9395 2.9395 3.1786 3.1786 3.2307 3.2307 3.7808 3.7808 3.7862 3.7862 3.9942 3.9942 4.4703 4.4703 4.5585 4.5585 5.4098 5.4098 5.7699 5.7699 5.8263 5.8263 6.3715 6.3715 6.4436 6.4436 6.5267 6.5267 6.7611 6.7611 7.1659 7.1659 7.2356 7.2356 7.5082 7.5082 8.3449 8.3449 8.9553 8.9553 k = 0.3615 0.6263 0.2110 ( 7032 PWs) bands (ev): -10.1729 -10.1729 -9.0951 -9.0951 -7.5477 -7.5477 -7.4815 -7.4815 -7.1934 -7.1934 -7.1391 -7.1391 -3.5426 -3.5426 -2.0763 -2.0763 -0.1276 -0.1276 0.0578 0.0578 0.1401 0.1401 0.5669 0.5669 0.6631 0.6631 2.1498 2.1498 2.1857 2.1857 2.5406 2.5406 2.7487 2.7487 2.9328 2.9328 3.1903 3.1903 3.2247 3.2247 3.7878 3.7878 3.7994 3.7994 3.9917 3.9917 4.4657 4.4657 4.5654 4.5654 5.4046 5.4046 5.7699 5.7699 5.8197 5.8197 6.3729 6.3729 6.4409 6.4409 6.5268 6.5268 6.7611 6.7611 7.1887 7.1887 7.2299 7.2299 7.5168 7.5168 8.3399 8.3399 8.9471 8.9471 k = 0.3568 0.6181 0.2265 ( 7023 PWs) bands (ev): -10.1726 -10.1726 -9.0940 -9.0940 -7.5460 -7.5460 -7.4884 -7.4884 -7.1842 -7.1842 -7.1462 -7.1462 -3.5417 -3.5417 -2.0707 -2.0707 -0.1121 -0.1121 0.0510 0.0510 0.1173 0.1173 0.5753 0.5753 0.6454 0.6454 2.1257 2.1257 2.2075 2.2075 2.5513 2.5513 2.7689 2.7689 2.9259 2.9259 3.2018 3.2018 3.2164 3.2164 3.7927 3.7927 3.8153 3.8153 3.9896 3.9896 4.4606 4.4606 4.5714 4.5714 5.4006 5.4006 5.7699 5.7699 5.8137 5.8137 6.3742 6.3742 6.4391 6.4391 6.5270 6.5270 6.7605 6.7605 7.2108 7.2108 7.2267 7.2267 7.5246 7.5246 8.3358 8.3358 8.9407 8.9407 k = 0.3521 0.6100 0.2420 ( 7033 PWs) bands (ev): -10.1725 -10.1725 -9.0928 -9.0928 -7.5444 -7.5444 -7.4951 -7.4951 -7.1746 -7.1746 -7.1529 -7.1529 -3.5412 -3.5412 -2.0662 -2.0662 -0.1011 -0.1011 0.0484 0.0484 0.0947 0.0947 0.5843 0.5843 0.6287 0.6287 2.1018 2.1018 2.2292 2.2292 2.5630 2.5630 2.7894 2.7894 2.9185 2.9185 3.2016 3.2016 3.2177 3.2177 3.7955 3.7955 3.8329 3.8329 3.9878 3.9878 4.4552 4.4552 4.5764 4.5764 5.3980 5.3980 5.7699 5.7699 5.8084 5.8084 6.3750 6.3750 6.4382 6.4382 6.5270 6.5270 6.7594 6.7594 7.2216 7.2216 7.2364 7.2364 7.5314 7.5314 8.3325 8.3325 8.9362 8.9362 k = 0.3474 0.6018 0.2575 ( 7035 PWs) bands (ev): -10.1727 -10.1727 -9.0913 -9.0913 -7.5429 -7.5429 -7.5018 -7.5018 -7.1649 -7.1649 -7.1591 -7.1591 -3.5410 -3.5410 -2.0628 -2.0628 -0.0959 -0.0959 0.0512 0.0512 0.0727 0.0727 0.5937 0.5937 0.6130 0.6130 2.0797 2.0797 2.2497 2.2497 2.5752 2.5752 2.8102 2.8102 2.9108 2.9108 3.1886 3.1886 3.2298 3.2298 3.7964 3.7964 3.8517 3.8517 3.9861 3.9861 4.4495 4.4495 4.5805 4.5805 5.3967 5.3967 5.7703 5.7703 5.8039 5.8039 6.3751 6.3751 6.4384 6.4384 6.5271 6.5271 6.7578 6.7578 7.2222 7.2222 7.2579 7.2579 7.5371 7.5371 8.3299 8.3299 8.9337 8.9337 k = 0.3427 0.5937 0.2729 ( 7031 PWs) bands (ev): -10.1731 -10.1731 -9.0898 -9.0898 -7.5414 -7.5414 -7.5084 -7.5084 -7.1657 -7.1657 -7.1540 -7.1540 -3.5412 -3.5412 -2.0607 -2.0607 -0.0969 -0.0969 0.0508 0.0508 0.0602 0.0602 0.5972 0.5972 0.6049 0.6049 2.0597 2.0597 2.2688 2.2688 2.5875 2.5875 2.8311 2.8311 2.9027 2.9027 3.1736 3.1736 3.2424 3.2424 3.7959 3.7959 3.8709 3.8709 3.9846 3.9846 4.4436 4.4436 4.5835 4.5835 5.3968 5.3968 5.7709 5.7709 5.8003 5.8003 6.3745 6.3745 6.4397 6.4397 6.5272 6.5272 6.7560 6.7560 7.2237 7.2237 7.2795 7.2795 7.5414 7.5414 8.3282 8.3282 8.9332 8.9332 k = 0.3380 0.5856 0.2884 ( 7039 PWs) bands (ev): -10.1738 -10.1738 -9.0881 -9.0881 -7.5398 -7.5398 -7.5150 -7.5150 -7.1710 -7.1710 -7.1438 -7.1438 -3.5416 -3.5416 -2.0599 -2.0599 -0.1030 -0.1030 0.0303 0.0303 0.0733 0.0733 0.5838 0.5838 0.6153 0.6153 2.0423 2.0423 2.2864 2.2864 2.5994 2.5994 2.8516 2.8516 2.8944 2.8944 3.1574 3.1574 3.2542 3.2542 3.7943 3.7943 3.8897 3.8897 3.9832 3.9832 4.4377 4.4377 4.5855 4.5855 5.3982 5.3982 5.7720 5.7720 5.7975 5.7975 6.3730 6.3730 6.4418 6.4418 6.5272 6.5272 6.7543 6.7543 7.2264 7.2264 7.3003 7.3003 7.5444 7.5444 8.3274 8.3274 8.9345 8.9345 k = 0.3333 0.5774 0.3039 ( 7035 PWs) bands (ev): -10.1747 -10.1747 -9.0865 -9.0865 -7.5380 -7.5380 -7.5215 -7.5215 -7.1758 -7.1758 -7.1335 -7.1335 -3.5424 -3.5424 -2.0605 -2.0605 -0.1126 -0.1126 0.0105 0.0105 0.0898 0.0898 0.5708 0.5708 0.6270 0.6270 2.0274 2.0274 2.3025 2.3025 2.6109 2.6109 2.8701 2.8701 2.8875 2.8875 3.1409 3.1409 3.2646 3.2646 3.7924 3.7924 3.9075 3.9075 3.9821 3.9821 4.4317 4.4317 4.5864 4.5864 5.4010 5.4010 5.7737 5.7737 5.7958 5.7958 6.3710 6.3710 6.4444 6.4444 6.5273 6.5273 6.7530 6.7530 7.2302 7.2302 7.3200 7.3200 7.5459 7.5459 8.3274 8.3274 8.9374 8.9374 k = 0.3286 0.5693 0.3194 ( 7028 PWs) bands (ev): -10.1758 -10.1758 -9.0848 -9.0848 -7.5360 -7.5360 -7.5280 -7.5280 -7.1799 -7.1799 -7.1233 -7.1233 -3.5435 -3.5435 -2.0624 -2.0624 -0.1245 -0.1245 -0.0081 -0.0081 0.1081 0.1081 0.5585 0.5585 0.6396 0.6396 2.0152 2.0152 2.3170 2.3170 2.6218 2.6218 2.8720 2.8720 2.8963 2.8963 3.1244 3.1244 3.2726 3.2726 3.7908 3.7908 3.9233 3.9233 3.9814 3.9814 4.4256 4.4256 4.5862 4.5862 5.4050 5.4050 5.7759 5.7759 5.7951 5.7951 6.3684 6.3684 6.4470 6.4470 6.5274 6.5274 6.7523 6.7523 7.2348 7.2348 7.3381 7.3381 7.5462 7.5462 8.3285 8.3285 8.9417 8.9417 k = 0.3239 0.5611 0.3349 ( 7025 PWs) bands (ev): -10.1771 -10.1771 -9.0831 -9.0831 -7.5358 -7.5358 -7.5325 -7.5325 -7.1832 -7.1832 -7.1133 -7.1133 -3.5448 -3.5448 -2.0658 -2.0658 -0.1377 -0.1377 -0.0256 -0.0256 0.1271 0.1271 0.5470 0.5470 0.6531 0.6531 2.0056 2.0056 2.3300 2.3300 2.6321 2.6321 2.8633 2.8633 2.9148 2.9148 3.1086 3.1086 3.2773 3.2773 3.7906 3.7906 3.9362 3.9362 3.9817 3.9817 4.4197 4.4197 4.5847 4.5847 5.4101 5.4101 5.7787 5.7787 5.7956 5.7956 6.3657 6.3657 6.4492 6.4492 6.5276 6.5276 6.7525 6.7525 7.2398 7.2398 7.3542 7.3542 7.5456 7.5456 8.3308 8.3308 8.9470 8.9470 k = 0.3192 0.5530 0.3503 ( 7027 PWs) bands (ev): -10.1787 -10.1787 -9.0815 -9.0815 -7.5418 -7.5418 -7.5303 -7.5303 -7.1857 -7.1857 -7.1036 -7.1036 -3.5465 -3.5465 -2.0705 -2.0705 -0.1516 -0.1516 -0.0418 -0.0418 0.1463 0.1463 0.5363 0.5363 0.6677 0.6677 1.9985 1.9985 2.3414 2.3414 2.6416 2.6416 2.8536 2.8536 2.9333 2.9333 3.0938 3.0938 3.2780 3.2780 3.7924 3.7924 3.9451 3.9451 3.9836 3.9836 4.4138 4.4138 4.5819 4.5819 5.4162 5.4162 5.7820 5.7820 5.7971 5.7971 6.3629 6.3629 6.4509 6.4509 6.5277 6.5277 6.7536 6.7536 7.2448 7.2448 7.3676 7.3676 7.5443 7.5443 8.3343 8.3343 8.9526 8.9526 k = 0.3145 0.5448 0.3658 ( 7029 PWs) bands (ev): -10.1804 -10.1804 -9.0800 -9.0800 -7.5484 -7.5484 -7.5271 -7.5271 -7.1873 -7.1873 -7.0942 -7.0942 -3.5486 -3.5486 -2.0765 -2.0765 -0.1660 -0.1660 -0.0566 -0.0566 0.1652 0.1652 0.5261 0.5261 0.6835 0.6835 1.9937 1.9937 2.3513 2.3513 2.6503 2.6503 2.8439 2.8439 2.9505 2.9505 3.0809 3.0809 3.2739 3.2739 3.7968 3.7968 3.9495 3.9495 3.9872 3.9872 4.4082 4.4082 4.5778 4.5778 5.4233 5.4233 5.7859 5.7859 5.7998 5.7998 6.3601 6.3601 6.4518 6.4518 6.5279 6.5279 6.7557 6.7557 7.2496 7.2496 7.3777 7.3777 7.5431 7.5431 8.3391 8.3391 8.9582 8.9582 k = 0.3098 0.5367 0.3813 ( 7023 PWs) bands (ev): -10.1824 -10.1824 -9.0785 -9.0785 -7.5551 -7.5551 -7.5234 -7.5234 -7.1881 -7.1881 -7.0853 -7.0853 -3.5510 -3.5510 -2.0838 -2.0838 -0.1805 -0.1805 -0.0699 -0.0699 0.1835 0.1835 0.5166 0.5166 0.7004 0.7004 1.9911 1.9911 2.3597 2.3597 2.6581 2.6581 2.8347 2.8347 2.9657 2.9657 3.0706 3.0706 3.2647 3.2647 3.8043 3.8043 3.9503 3.9503 3.9915 3.9915 4.4029 4.4029 4.5723 4.5723 5.4311 5.4311 5.7901 5.7901 5.8038 5.8038 6.3575 6.3575 6.4520 6.4520 6.5281 6.5281 6.7587 6.7587 7.2538 7.2538 7.3840 7.3840 7.5427 7.5427 8.3454 8.3454 8.9631 8.9631 k = 0.3051 0.5285 0.3968 ( 7031 PWs) bands (ev): -10.1846 -10.1846 -9.0771 -9.0771 -7.5617 -7.5617 -7.5191 -7.5191 -7.1881 -7.1881 -7.0769 -7.0769 -3.5538 -3.5538 -2.0923 -2.0923 -0.1951 -0.1951 -0.0818 -0.0818 0.2010 0.2010 0.5076 0.5076 0.7185 0.7185 1.9903 1.9903 2.3668 2.3668 2.6643 2.6643 2.8269 2.8269 2.9777 2.9777 3.0643 3.0643 3.2506 3.2506 3.8146 3.8146 3.9488 3.9488 3.9949 3.9949 4.3981 4.3981 4.5652 4.5652 5.4396 5.4396 5.7947 5.7947 5.8089 5.8089 6.3551 6.3551 6.4513 6.4513 6.5284 6.5284 6.7625 6.7625 7.2572 7.2572 7.3860 7.3860 7.5434 7.5434 8.3532 8.3532 8.9669 8.9669 k = 0.3004 0.5204 0.4123 ( 7032 PWs) bands (ev): -10.1870 -10.1870 -9.0759 -9.0759 -7.5682 -7.5682 -7.5143 -7.5143 -7.1873 -7.1873 -7.0690 -7.0690 -3.5570 -3.5570 -2.1018 -2.1018 -0.2096 -0.2096 -0.0921 -0.0921 0.2175 0.2175 0.4991 0.4991 0.7380 0.7380 1.9912 1.9912 2.3726 2.3726 2.6685 2.6685 2.8216 2.8216 2.9852 2.9852 3.0631 3.0631 3.2319 3.2319 3.8272 3.8272 3.9460 3.9460 3.9965 3.9965 4.3941 4.3941 4.5566 4.5566 5.4487 5.4487 5.7997 5.7997 5.8150 5.8150 6.3530 6.3530 6.4499 6.4499 6.5286 6.5286 6.7668 6.7668 7.2595 7.2595 7.3837 7.3837 7.5455 7.5455 8.3624 8.3624 8.9691 8.9691 k = 0.2957 0.5122 0.4277 ( 7040 PWs) bands (ev): -10.1895 -10.1895 -9.0748 -9.0748 -7.5745 -7.5745 -7.5089 -7.5089 -7.1858 -7.1858 -7.0617 -7.0617 -3.5608 -3.5608 -2.1124 -2.1124 -0.2239 -0.2239 -0.1009 -0.1009 0.2329 0.2329 0.4908 0.4908 0.7586 0.7586 1.9933 1.9933 2.3772 2.3772 2.6697 2.6697 2.8199 2.8199 2.9880 2.9880 3.0675 3.0675 3.2093 3.2093 3.8415 3.8415 3.9422 3.9422 3.9956 3.9956 4.3908 4.3908 4.5463 4.5463 5.4582 5.4582 5.8050 5.8050 5.8220 5.8220 6.3512 6.3512 6.4480 6.4480 6.5288 6.5288 6.7714 6.7714 7.2605 7.2605 7.3775 7.3775 7.5488 7.5488 8.3730 8.3730 8.9695 8.9695 k = 0.2910 0.5041 0.4432 ( 7040 PWs) bands (ev): -10.1923 -10.1923 -9.0737 -9.0737 -7.5805 -7.5805 -7.5030 -7.5030 -7.1836 -7.1836 -7.0549 -7.0549 -3.5651 -3.5651 -2.1238 -2.1238 -0.2381 -0.2381 -0.1082 -0.1082 0.2472 0.2472 0.4829 0.4829 0.7804 0.7804 1.9965 1.9965 2.3809 2.3809 2.6671 2.6671 2.8229 2.8229 2.9873 2.9873 3.0759 3.0759 3.1839 3.1839 3.8566 3.8566 3.9379 3.9379 3.9922 3.9922 4.3886 4.3886 4.5345 4.5345 5.4681 5.4681 5.8106 5.8106 5.8296 5.8296 6.3497 6.3497 6.4457 6.4457 6.5290 6.5290 6.7760 6.7760 7.2602 7.2602 7.3681 7.3681 7.5529 7.5529 8.3848 8.3848 8.9684 8.9684 k = 0.2863 0.4959 0.4587 ( 7042 PWs) bands (ev): -10.1953 -10.1953 -9.0729 -9.0729 -7.5862 -7.5862 -7.4965 -7.4965 -7.1807 -7.1807 -7.0488 -7.0488 -3.5700 -3.5700 -2.1359 -2.1359 -0.2521 -0.2521 -0.1140 -0.1140 0.2603 0.2603 0.4751 0.4751 0.8032 0.8032 2.0004 2.0004 2.3839 2.3839 2.6609 2.6609 2.8310 2.8310 2.9851 2.9851 3.0862 3.0862 3.1566 3.1566 3.8717 3.8717 3.9330 3.9330 3.9864 3.9864 4.3876 4.3876 4.5211 4.5211 5.4782 5.4782 5.8166 5.8166 5.8378 5.8378 6.3485 6.3485 6.4431 6.4431 6.5291 6.5291 6.7804 6.7804 7.2584 7.2584 7.3564 7.3564 7.5573 7.5573 8.3975 8.3975 8.9660 8.9660 k = 0.2863 0.4959 0.4587 ( 7042 PWs) bands (ev): -10.1953 -10.1953 -9.0729 -9.0729 -7.5862 -7.5862 -7.4965 -7.4965 -7.1807 -7.1807 -7.0488 -7.0488 -3.5700 -3.5700 -2.1359 -2.1359 -0.2521 -0.2521 -0.1140 -0.1140 0.2603 0.2603 0.4751 0.4751 0.8032 0.8032 2.0004 2.0004 2.3839 2.3839 2.6609 2.6609 2.8310 2.8310 2.9851 2.9851 3.0862 3.0862 3.1566 3.1566 3.8717 3.8717 3.9330 3.9330 3.9864 3.9864 4.3876 4.3876 4.5211 4.5211 5.4782 5.4782 5.8166 5.8166 5.8378 5.8378 6.3485 6.3485 6.4431 6.4431 6.5291 6.5291 6.7804 6.7804 7.2584 7.2584 7.3564 7.3564 7.5573 7.5573 8.3975 8.3975 8.9660 8.9660 k = 0.2770 0.4799 0.4587 ( 7038 PWs) bands (ev): -10.1971 -10.1971 -9.0797 -9.0797 -7.5903 -7.5903 -7.4795 -7.4795 -7.1802 -7.1802 -7.0412 -7.0412 -3.5791 -3.5791 -2.1494 -2.1494 -0.2678 -0.2678 -0.1280 -0.1280 0.2925 0.2925 0.4465 0.4465 0.8502 0.8502 1.9815 1.9815 2.4165 2.4165 2.6372 2.6372 2.8087 2.8087 2.9977 2.9977 3.1092 3.1092 3.1509 3.1509 3.8703 3.8703 3.9221 3.9221 3.9698 3.9698 4.3936 4.3936 4.4848 4.4848 5.4919 5.4919 5.8259 5.8259 5.8502 5.8502 6.3456 6.3456 6.4451 6.4451 6.5281 6.5281 6.7672 6.7672 7.2642 7.2642 7.3373 7.3373 7.5754 7.5754 8.4375 8.4375 8.9585 8.9585 k = 0.2678 0.4639 0.4587 ( 7044 PWs) bands (ev): -10.1996 -10.1996 -9.0872 -9.0872 -7.5921 -7.5921 -7.4622 -7.4622 -7.1783 -7.1783 -7.0336 -7.0336 -3.5906 -3.5906 -2.1645 -2.1645 -0.2840 -0.2840 -0.1404 -0.1404 0.3211 0.3211 0.4194 0.4194 0.8954 0.8954 1.9693 1.9693 2.4490 2.4490 2.6112 2.6112 2.7904 2.7904 3.0091 3.0091 3.1268 3.1268 3.1517 3.1517 3.8680 3.8680 3.9101 3.9101 3.9526 3.9526 4.3983 4.3983 4.4449 4.4449 5.5073 5.5073 5.8366 5.8366 5.8635 5.8635 6.3428 6.3428 6.4472 6.4472 6.5269 6.5269 6.7538 6.7538 7.2724 7.2724 7.3146 7.3146 7.5930 7.5930 8.4812 8.4812 8.9510 8.9510 k = 0.2586 0.4479 0.4587 ( 7038 PWs) bands (ev): -10.2029 -10.2029 -9.0954 -9.0954 -7.5915 -7.5915 -7.4447 -7.4447 -7.1749 -7.1749 -7.0260 -7.0260 -3.6046 -3.6046 -2.1811 -2.1811 -0.3006 -0.3006 -0.1510 -0.1510 0.3453 0.3453 0.3939 0.3939 0.9368 0.9368 1.9652 1.9652 2.4813 2.4813 2.5841 2.5841 2.7768 2.7768 3.0187 3.0187 3.1331 3.1331 3.1649 3.1649 3.8646 3.8646 3.8971 3.8971 3.9347 3.9347 4.3965 4.3965 4.4076 4.4076 5.5244 5.5244 5.8486 5.8486 5.8774 5.8774 6.3402 6.3402 6.4496 6.4496 6.5254 6.5254 6.7406 6.7406 7.2798 7.2798 7.2924 7.2924 7.6088 7.6088 8.5274 8.5274 8.9440 8.9440 k = 0.2493 0.4319 0.4587 ( 7042 PWs) bands (ev): -10.2068 -10.2068 -9.1043 -9.1043 -7.5886 -7.5886 -7.4272 -7.4272 -7.1700 -7.1700 -7.0184 -7.0184 -3.6209 -3.6209 -2.1991 -2.1991 -0.3174 -0.3174 -0.1599 -0.1599 0.3636 0.3636 0.3710 0.3710 0.9724 0.9724 1.9700 1.9700 2.5128 2.5128 2.5577 2.5577 2.7679 2.7679 3.0263 3.0263 3.1354 3.1354 3.1833 3.1833 3.8603 3.8603 3.8834 3.8834 3.9155 3.9155 4.3577 4.3577 4.4046 4.4046 5.5431 5.5431 5.8613 5.8613 5.8917 5.8917 6.3378 6.3378 6.4526 6.4526 6.5237 6.5237 6.7279 6.7279 7.2614 7.2614 7.2962 7.2962 7.6223 7.6223 8.5750 8.5750 8.9384 8.9384 k = 0.2401 0.4159 0.4587 ( 7042 PWs) bands (ev): -10.2115 -10.2115 -9.1137 -9.1137 -7.5834 -7.5834 -7.4096 -7.4096 -7.1638 -7.1638 -7.0108 -7.0108 -3.6394 -3.6394 -2.2183 -2.2183 -0.3345 -0.3345 -0.1669 -0.1669 0.3474 0.3474 0.3787 0.3787 1.0005 1.0005 1.9843 1.9843 2.5303 2.5303 2.5465 2.5465 2.7640 2.7640 3.0313 3.0313 3.1393 3.1393 3.2014 3.2014 3.8550 3.8550 3.8689 3.8689 3.8952 3.8952 4.3158 4.3158 4.4035 4.4035 5.5634 5.5634 5.8743 5.8743 5.9063 5.9063 6.3357 6.3357 6.4564 6.4564 6.5216 6.5216 6.7161 6.7161 7.2356 7.2356 7.3077 7.3077 7.6330 7.6330 8.6227 8.6227 8.9351 8.9351 k = 0.2309 0.3999 0.4587 ( 7031 PWs) bands (ev): -10.2167 -10.2167 -9.1236 -9.1236 -7.5758 -7.5758 -7.3920 -7.3920 -7.1562 -7.1562 -7.0033 -7.0033 -3.6600 -3.6600 -2.2384 -2.2384 -0.3516 -0.3516 -0.1720 -0.1720 0.3269 0.3269 0.3866 0.3866 1.0197 1.0197 2.0081 2.0081 2.5103 2.5103 2.5749 2.5749 2.7657 2.7657 3.0332 3.0332 3.1460 3.1460 3.2179 3.2179 3.8480 3.8480 3.8540 3.8540 3.8738 3.8738 4.2766 4.2766 4.3999 4.3999 5.5853 5.5853 5.8874 5.8874 5.9212 5.9212 6.3338 6.3338 6.4610 6.4610 6.5193 6.5193 6.7053 6.7053 7.2099 7.2099 7.3196 7.3196 7.6408 7.6408 8.6682 8.6682 8.9356 8.9356 k = 0.2216 0.3839 0.4587 ( 7031 PWs) bands (ev): -10.2227 -10.2227 -9.1340 -9.1340 -7.5660 -7.5660 -7.3746 -7.3746 -7.1473 -7.1473 -6.9959 -6.9959 -3.6825 -3.6825 -2.2593 -2.2593 -0.3687 -0.3687 -0.1752 -0.1752 0.3081 0.3081 0.3885 0.3885 1.0294 1.0294 2.0404 2.0404 2.4930 2.4930 2.6031 2.6031 2.7737 2.7737 3.0316 3.0316 3.1559 3.1559 3.2323 3.2323 3.8345 3.8345 3.8429 3.8429 3.8521 3.8521 4.2421 4.2421 4.3935 4.3935 5.6085 5.6085 5.9001 5.9001 5.9360 5.9360 6.3322 6.3322 6.4663 6.4663 6.5165 6.5165 6.6960 6.6960 7.1851 7.1851 7.3308 7.3308 7.6457 7.6457 8.7090 8.7090 8.9419 8.9419 k = 0.2124 0.3679 0.4587 ( 7029 PWs) bands (ev): -10.2291 -10.2291 -9.1447 -9.1447 -7.5540 -7.5540 -7.3573 -7.3573 -7.1372 -7.1372 -6.9885 -6.9885 -3.7068 -3.7068 -2.2808 -2.2808 -0.3858 -0.3858 -0.1764 -0.1764 0.2910 0.2910 0.3847 0.3847 1.0297 1.0297 2.0795 2.0795 2.4803 2.4803 2.6292 2.6292 2.7891 2.7891 3.0261 3.0261 3.1694 3.1694 3.2444 3.2444 3.8158 3.8158 3.8281 3.8281 3.8368 3.8368 4.2136 4.2136 4.3842 4.3842 5.6330 5.6330 5.9124 5.9124 5.9509 5.9509 6.3309 6.3309 6.4724 6.4724 6.5134 6.5134 6.6883 6.6883 7.1618 7.1618 7.3409 7.3409 7.6477 7.6477 8.7418 8.7418 8.9561 8.9561 k = 0.2032 0.3520 0.4587 ( 7021 PWs) bands (ev): -10.2361 -10.2361 -9.1558 -9.1558 -7.5399 -7.5399 -7.3402 -7.3402 -7.1261 -7.1261 -6.9813 -6.9813 -3.7328 -3.7328 -2.3027 -2.3027 -0.4027 -0.4027 -0.1758 -0.1758 0.2757 0.2757 0.3752 0.3752 1.0213 1.0213 2.1230 2.1230 2.4725 2.4725 2.6521 2.6521 2.8130 2.8130 3.0168 3.0168 3.1866 3.1866 3.2540 3.2540 3.7947 3.7947 3.8077 3.8077 3.8278 3.8278 4.1921 4.1921 4.3720 4.3720 5.6585 5.6585 5.9241 5.9241 5.9657 5.9657 6.3298 6.3298 6.4788 6.4788 6.5098 6.5098 6.6829 6.6829 7.1404 7.1404 7.3494 7.3494 7.6470 7.6470 8.7648 8.7648 8.9790 8.9790 k = 0.1939 0.3360 0.4587 ( 7017 PWs) bands (ev): -10.2435 -10.2435 -9.1671 -9.1671 -7.5239 -7.5239 -7.3234 -7.3234 -7.1140 -7.1140 -6.9742 -6.9742 -3.7602 -3.7602 -2.3249 -2.3249 -0.4195 -0.4195 -0.1732 -0.1732 0.2622 0.2622 0.3606 0.3606 1.0051 1.0051 2.1681 2.1681 2.4696 2.4696 2.6704 2.6704 2.8461 2.8461 3.0041 3.0041 3.2075 3.2075 3.2611 3.2611 3.7728 3.7728 3.7876 3.7876 3.8187 3.8187 4.1780 4.1780 4.3568 4.3568 5.6847 5.6847 5.9349 5.9349 5.9804 5.9804 6.3290 6.3290 6.4848 6.4848 6.5057 6.5057 6.6803 6.6803 7.1212 7.1212 7.3559 7.3559 7.6437 7.6437 8.7788 8.7788 9.0080 9.0080 k = 0.1847 0.3200 0.4587 ( 7019 PWs) bands (ev): -10.2513 -10.2513 -9.1786 -9.1786 -7.5061 -7.5061 -7.3069 -7.3069 -7.1011 -7.1011 -6.9673 -6.9673 -3.7888 -3.7888 -2.3471 -2.3471 -0.4361 -0.4361 -0.1687 -0.1687 0.2505 0.2505 0.3416 0.3416 0.9824 0.9824 2.2124 2.2124 2.4717 2.4717 2.6822 2.6822 2.8891 2.8891 2.9894 2.9894 3.2319 3.2319 3.2663 3.2663 3.7520 3.7520 3.7681 3.7681 3.8092 3.8092 4.1710 4.1710 4.3389 4.3389 5.7113 5.7113 5.9448 5.9448 5.9949 5.9949 6.3284 6.3284 6.4894 6.4894 6.5016 6.5016 6.6813 6.6813 7.1045 7.1045 7.3603 7.3603 7.6380 7.6380 8.7862 8.7862 9.0384 9.0384 k = 0.1755 0.3040 0.4587 ( 7015 PWs) bands (ev): -10.2593 -10.2593 -9.1901 -9.1901 -7.4867 -7.4867 -7.2908 -7.2908 -7.0876 -7.0876 -6.9605 -6.9605 -3.8185 -3.8185 -2.3693 -2.3693 -0.4524 -0.4524 -0.1625 -0.1625 0.2406 0.2406 0.3187 0.3187 0.9543 0.9543 2.2533 2.2533 2.4791 2.4791 2.6850 2.6850 2.9415 2.9415 2.9749 2.9749 3.2544 3.2544 3.2753 3.2753 3.7333 3.7333 3.7495 3.7495 3.7992 3.7992 4.1704 4.1704 4.3182 4.3182 5.7379 5.7379 5.9537 5.9537 6.0093 6.0093 6.3280 6.3280 6.4903 6.4903 6.4987 6.4987 6.6866 6.6866 7.0905 7.0905 7.3622 7.3622 7.6302 7.6302 8.7898 8.7898 9.0651 9.0651 k = 0.1662 0.2880 0.4587 ( 7008 PWs) bands (ev): -10.2676 -10.2676 -9.2016 -9.2016 -7.4658 -7.4658 -7.2752 -7.2752 -7.0736 -7.0736 -6.9539 -6.9539 -3.8490 -3.8490 -2.3913 -2.3913 -0.4683 -0.4683 -0.1547 -0.1547 0.2324 0.2324 0.2929 0.2929 0.9219 0.9219 2.2887 2.2887 2.4925 2.4925 2.6760 2.6760 2.9627 2.9627 3.0027 3.0027 3.2601 3.2601 3.3038 3.3038 3.7172 3.7172 3.7325 3.7325 3.7887 3.7887 4.1753 4.1753 4.2951 4.2951 5.7643 5.7643 5.9616 5.9616 6.0235 6.0235 6.3277 6.3277 6.4859 6.4859 6.4979 6.4979 6.6969 6.6969 7.0794 7.0794 7.3616 7.3616 7.6203 7.6203 8.7912 8.7912 9.0841 9.0841 k = 0.1570 0.2720 0.4587 ( 7003 PWs) bands (ev): -10.2760 -10.2760 -9.2130 -9.2130 -7.4436 -7.4436 -7.2602 -7.2602 -7.0592 -7.0592 -6.9475 -6.9475 -3.8801 -3.8801 -2.4128 -2.4128 -0.4839 -0.4839 -0.1452 -0.1452 0.2260 0.2260 0.2647 0.2647 0.8865 0.8865 2.3173 2.3173 2.5125 2.5125 2.6541 2.6541 2.9554 2.9554 3.0694 3.0694 3.2581 3.2581 3.3439 3.3439 3.7031 3.7031 3.7183 3.7183 3.7779 3.7779 4.1849 4.1849 4.2698 4.2698 5.7900 5.7900 5.9684 5.9684 6.0376 6.0376 6.3275 6.3275 6.4792 6.4792 6.4960 6.4960 6.7123 6.7123 7.0713 7.0713 7.3586 7.3586 7.6087 7.6087 8.7914 8.7914 9.0937 9.0937 k = 0.1478 0.2560 0.4587 ( 7013 PWs) bands (ev): -10.2844 -10.2844 -9.2242 -9.2242 -7.4205 -7.4205 -7.2457 -7.2457 -7.0446 -7.0446 -6.9414 -6.9414 -3.9115 -3.9115 -2.4339 -2.4339 -0.4991 -0.4991 -0.1345 -0.1345 0.2210 0.2210 0.2353 0.2353 0.8489 0.8489 2.3387 2.3387 2.5392 2.5392 2.6199 2.6199 2.9523 2.9523 3.1388 3.1388 3.2536 3.2536 3.3921 3.3921 3.6903 3.6903 3.7081 3.7081 3.7667 3.7667 4.1981 4.1981 4.2427 4.2427 5.8148 5.8148 5.9742 5.9742 6.0514 6.0514 6.3273 6.3273 6.4713 6.4713 6.4918 6.4918 6.7327 6.7327 7.0662 7.0662 7.3534 7.3534 7.5955 7.5955 8.7910 8.7910 9.0946 9.0946 k = 0.1385 0.2400 0.4587 ( 7012 PWs) bands (ev): -10.2927 -10.2927 -9.2351 -9.2351 -7.3965 -7.3965 -7.2318 -7.2318 -7.0301 -7.0301 -6.9355 -6.9355 -3.9431 -3.9431 -2.4544 -2.4544 -0.5137 -0.5137 -0.1225 -0.1225 0.2031 0.2031 0.2196 0.2196 0.8101 0.8101 2.3538 2.3538 2.5684 2.5684 2.5793 2.5793 2.9517 2.9517 3.2070 3.2070 3.2481 3.2481 3.4493 3.4493 3.6785 3.6785 3.7019 3.7019 3.7552 3.7552 4.2092 4.2092 4.2189 4.2189 5.8383 5.8383 5.9790 5.9790 6.0651 6.0651 6.3272 6.3272 6.4624 6.4624 6.4855 6.4855 6.7575 6.7575 7.0642 7.0642 7.3460 7.3460 7.5809 7.5809 8.7902 8.7902 9.0884 9.0884 k = 0.1293 0.2240 0.4587 ( 7012 PWs) bands (ev): -10.3010 -10.3010 -9.2457 -9.2457 -7.3720 -7.3720 -7.2186 -7.2186 -7.0157 -7.0157 -6.9299 -6.9299 -3.9745 -3.9745 -2.4741 -2.4741 -0.5279 -0.5279 -0.1096 -0.1096 0.1724 0.1724 0.2182 0.2182 0.7708 0.7708 2.3641 2.3641 2.5237 2.5237 2.6098 2.6098 2.9517 2.9517 3.2412 3.2412 3.2718 3.2718 3.5165 3.5165 3.6681 3.6681 3.6991 3.6991 3.7436 3.7436 4.1822 4.1822 4.2342 4.2342 5.8603 5.8603 5.9828 5.9828 6.0784 6.0784 6.3269 6.3269 6.4526 6.4526 6.4776 6.4776 6.7860 6.7860 7.0650 7.0650 7.3370 7.3370 7.5651 7.5651 8.7892 8.7892 9.0770 9.0770 k = 0.1200 0.2080 0.4587 ( 7014 PWs) bands (ev): -10.3090 -10.3090 -9.2559 -9.2559 -7.3473 -7.3473 -7.2062 -7.2062 -7.0017 -7.0017 -6.9245 -6.9245 -4.0055 -4.0055 -2.4929 -2.4929 -0.5414 -0.5414 -0.0960 -0.0960 0.1415 0.1415 0.2189 0.2189 0.7318 0.7318 2.3712 2.3712 2.4678 2.4678 2.6499 2.6499 2.9505 2.9505 3.2358 3.2358 3.3289 3.3289 3.5932 3.5932 3.6597 3.6597 3.6988 3.6988 3.7320 3.7320 4.1510 4.1510 4.2543 4.2543 5.8806 5.8806 5.9857 5.9857 6.0915 6.0915 6.3265 6.3265 6.4421 6.4421 6.4686 6.4686 6.8174 6.8174 7.0686 7.0686 7.3267 7.3267 7.5484 7.5484 8.7878 8.7878 9.0616 9.0616 k = 0.1108 0.1920 0.4587 ( 7012 PWs) bands (ev): -10.3168 -10.3168 -9.2656 -9.2656 -7.3225 -7.3225 -7.1945 -7.1945 -6.9881 -6.9881 -6.9195 -6.9195 -4.0358 -4.0358 -2.5108 -2.5108 -0.5542 -0.5542 -0.0820 -0.0820 0.1112 0.1112 0.2214 0.2214 0.6936 0.6936 2.3760 2.3760 2.4094 2.4094 2.6924 2.6924 2.9472 2.9472 3.2310 3.2310 3.3796 3.3796 3.6528 3.6528 3.6766 3.6766 3.7003 3.7003 3.7218 3.7218 4.1191 4.1191 4.2756 4.2756 5.8990 5.8990 5.9877 5.9877 6.1041 6.1041 6.3259 6.3259 6.4307 6.4307 6.4588 6.4588 6.8509 6.8509 7.0748 7.0748 7.3158 7.3158 7.5309 7.5309 8.7860 8.7860 9.0432 9.0432 k = 0.1016 0.1760 0.4587 ( 7008 PWs) bands (ev): -10.3242 -10.3242 -9.2748 -9.2748 -7.2980 -7.2980 -7.1836 -7.1836 -6.9752 -6.9752 -6.9147 -6.9147 -4.0651 -4.0651 -2.5277 -2.5277 -0.5663 -0.5663 -0.0680 -0.0680 0.0821 0.0821 0.2256 0.2256 0.6567 0.6567 2.3496 2.3496 2.3796 2.3796 2.7364 2.7364 2.9414 2.9414 3.2273 3.2273 3.4239 3.4239 3.6483 3.6483 3.7011 3.7011 3.7086 3.7086 3.7693 3.7693 4.0871 4.0871 4.2974 4.2974 5.9155 5.9155 5.9890 5.9890 6.1160 6.1160 6.3251 6.3251 6.4187 6.4187 6.4490 6.4490 6.8857 6.8857 7.0833 7.0833 7.3048 7.3048 7.5127 7.5127 8.7837 8.7837 9.0224 9.0224 k = 0.0923 0.1600 0.4587 ( 7009 PWs) bands (ev): -10.3312 -10.3312 -9.2834 -9.2834 -7.2742 -7.2742 -7.1736 -7.1736 -6.9630 -6.9630 -6.9103 -6.9103 -4.0931 -4.0931 -2.5434 -2.5434 -0.5776 -0.5776 -0.0543 -0.0543 0.0544 0.0544 0.2313 0.2313 0.6218 0.6218 2.2907 2.2907 2.3818 2.3818 2.7814 2.7814 2.9333 2.9333 3.2249 3.2249 3.4620 3.4620 3.6453 3.6453 3.6947 3.6947 3.7091 3.7091 3.8593 3.8593 4.0557 4.0557 4.3193 4.3193 5.9299 5.9299 5.9897 5.9897 6.1272 6.1272 6.3239 6.3239 6.4061 6.4061 6.4395 6.4395 6.9207 6.9207 7.0938 7.0938 7.2947 7.2947 7.4941 7.4941 8.7808 8.7808 8.9998 8.9998 k = 0.0831 0.1440 0.4587 ( 7007 PWs) bands (ev): -10.3377 -10.3377 -9.2913 -9.2913 -7.2512 -7.2512 -7.1644 -7.1644 -6.9518 -6.9518 -6.9062 -6.9062 -4.1196 -4.1196 -2.5578 -2.5578 -0.5880 -0.5880 -0.0411 -0.0411 0.0286 0.0286 0.2384 0.2384 0.5890 0.5890 2.2333 2.2333 2.3834 2.3834 2.8270 2.8270 2.9233 2.9233 3.2234 3.2234 3.4928 3.4928 3.6433 3.6433 3.6868 3.6868 3.7132 3.7132 3.9493 3.9493 4.0255 4.0255 4.3407 4.3407 5.9423 5.9423 5.9897 5.9897 6.1374 6.1374 6.3223 6.3223 6.3930 6.3930 6.4308 6.4308 6.9546 6.9546 7.1061 7.1061 7.2862 7.2862 7.4751 7.4751 8.7770 8.7770 8.9759 8.9759 k = 0.0739 0.1280 0.4587 ( 7001 PWs) bands (ev): -10.3437 -10.3437 -9.2985 -9.2985 -7.2295 -7.2295 -7.1562 -7.1562 -6.9416 -6.9416 -6.9025 -6.9025 -4.1443 -4.1443 -2.5710 -2.5710 -0.5976 -0.5976 -0.0290 -0.0290 0.0049 0.0049 0.2466 0.2466 0.5589 0.5589 2.1786 2.1786 2.3844 2.3844 2.8728 2.8728 2.9121 2.9121 3.2228 3.2228 3.5145 3.5145 3.6421 3.6421 3.6828 3.6828 3.7180 3.7180 3.9959 3.9959 4.0378 4.0378 4.3613 4.3613 5.9527 5.9527 5.9894 5.9894 6.1463 6.1463 6.3203 6.3203 6.3799 6.3799 6.4230 6.4230 6.9860 6.9860 7.1198 7.1198 7.2806 7.2806 7.4560 7.4560 8.7724 8.7724 8.9514 8.9514 k = 0.0646 0.1120 0.4587 ( 7005 PWs) bands (ev): -10.3491 -10.3491 -9.3049 -9.3049 -7.2093 -7.2093 -7.1488 -7.1488 -6.9326 -6.9326 -6.8992 -6.8992 -4.1668 -4.1668 -2.5827 -2.5827 -0.6061 -0.6061 -0.0204 -0.0204 -0.0141 -0.0141 0.2557 0.2557 0.5317 0.5317 2.1276 2.1276 2.3852 2.3852 2.8995 2.8995 2.9194 2.9194 3.2228 3.2228 3.5244 3.5244 3.6414 3.6414 3.6849 3.6849 3.7228 3.7228 3.9701 3.9701 4.1202 4.1202 4.3808 4.3808 5.9610 5.9610 5.9889 5.9889 6.1538 6.1538 6.3180 6.3180 6.3671 6.3671 6.4163 6.4163 7.0133 7.0133 7.1346 7.1346 7.2789 7.2789 7.4368 7.4368 8.7669 8.7669 8.9273 8.9273 k = 0.0554 0.0960 0.4587 ( 7008 PWs) bands (ev): -10.3539 -10.3539 -9.3106 -9.3106 -7.1909 -7.1909 -7.1424 -7.1424 -6.9247 -6.9247 -6.8963 -6.8963 -4.1870 -4.1870 -2.5931 -2.5931 -0.6137 -0.6137 -0.0363 -0.0363 -0.0073 -0.0073 0.2652 0.2652 0.5076 0.5076 2.0812 2.0812 2.3856 2.3856 2.8882 2.8882 2.9642 2.9642 3.2230 3.2230 3.5220 3.5220 3.6417 3.6417 3.6931 3.6931 3.7277 3.7277 3.9468 3.9468 4.1965 4.1965 4.3988 4.3988 5.9672 5.9672 5.9884 5.9884 6.1597 6.1597 6.3153 6.3153 6.3552 6.3552 6.4109 6.4109 7.0350 7.0350 7.1502 7.1502 7.2818 7.2818 7.4178 7.4178 8.7604 8.7604 8.9043 8.9043 k = 0.0462 0.0800 0.4587 ( 7013 PWs) bands (ev): -10.3580 -10.3580 -9.3155 -9.3155 -7.1747 -7.1747 -7.1369 -7.1369 -6.9180 -6.9180 -6.8937 -6.8937 -4.2045 -4.2045 -2.6019 -2.6019 -0.6201 -0.6201 -0.0525 -0.0525 0.0010 0.0010 0.2746 0.2746 0.4869 0.4869 2.0401 2.0401 2.3859 2.3859 2.8774 2.8774 3.0080 3.0080 3.2234 3.2234 3.5094 3.5094 3.6429 3.6429 3.7049 3.7049 3.7323 3.7323 3.9268 3.9268 4.2643 4.2643 4.4154 4.4154 5.9714 5.9714 5.9882 5.9882 6.1640 6.1640 6.3124 6.3124 6.3447 6.3447 6.4065 6.4065 7.0507 7.0507 7.1663 7.1663 7.2893 7.2893 7.3992 7.3992 8.7533 8.7533 8.8833 8.8833 k = 0.0369 0.0640 0.4587 ( 7007 PWs) bands (ev): -10.3614 -10.3614 -9.3195 -9.3195 -7.1610 -7.1610 -7.1324 -7.1324 -6.9126 -6.9126 -6.8916 -6.8916 -4.2192 -4.2192 -2.6092 -2.6092 -0.6255 -0.6255 -0.0660 -0.0660 0.0079 0.0079 0.2833 0.2833 0.4698 0.4698 2.0053 2.0053 2.3860 2.3860 2.8679 2.8679 3.0495 3.0495 3.2238 3.2238 3.4906 3.4906 3.6445 3.6445 3.7171 3.7171 3.7367 3.7367 3.9105 3.9105 4.3217 4.3217 4.4304 4.4304 5.9736 5.9736 5.9885 5.9885 6.1668 6.1668 6.3095 6.3095 6.3361 6.3361 6.4032 6.4032 7.0608 7.0608 7.1822 7.1822 7.3000 7.3000 7.3814 7.3814 8.7460 8.7460 8.8651 8.8651 k = 0.0277 0.0480 0.4587 ( 7011 PWs) bands (ev): -10.3640 -10.3640 -9.3226 -9.3226 -7.1501 -7.1501 -7.1289 -7.1289 -6.9085 -6.9085 -6.8900 -6.8900 -4.2308 -4.2308 -2.6149 -2.6149 -0.6297 -0.6297 -0.0767 -0.0767 0.0133 0.0133 0.2908 0.2908 0.4563 0.4563 1.9774 1.9774 2.3861 2.3861 2.8600 2.8600 3.0872 3.0872 3.2241 3.2241 3.4690 3.4690 3.6460 3.6460 3.7274 3.7274 3.7411 3.7411 3.8979 3.8979 4.3663 4.3663 4.4444 4.4444 5.9745 5.9745 5.9891 5.9891 6.1682 6.1682 6.3067 6.3067 6.3296 6.3296 6.4008 6.4008 7.0664 7.0664 7.1973 7.1973 7.3117 7.3117 7.3650 7.3650 8.7391 8.7391 8.8502 8.8502 k = 0.0185 0.0320 0.4587 ( 7013 PWs) bands (ev): -10.3660 -10.3660 -9.3249 -9.3249 -7.1422 -7.1422 -7.1263 -7.1263 -6.9055 -6.9055 -6.8888 -6.8888 -4.2392 -4.2392 -2.6190 -2.6190 -0.6327 -0.6327 -0.0843 -0.0843 0.0172 0.0172 0.2965 0.2965 0.4466 0.4466 1.9570 1.9570 2.3862 2.3862 2.8542 2.8542 3.1187 3.1187 3.2244 3.2244 3.4483 3.4483 3.6473 3.6473 3.7340 3.7340 3.7457 3.7457 3.8890 3.8890 4.3964 4.3964 4.4574 4.4574 5.9746 5.9746 5.9896 5.9896 6.1688 6.1688 6.3045 6.3045 6.3251 6.3251 6.3992 6.3992 7.0693 7.0693 7.2105 7.2105 7.3219 7.3219 7.3511 7.3511 8.7335 8.7335 8.8392 8.8392 k = 0.0092 0.0160 0.4587 ( 7020 PWs) bands (ev): -10.3671 -10.3671 -9.3263 -9.3263 -7.1374 -7.1374 -7.1247 -7.1247 -6.9038 -6.9038 -6.8881 -6.8881 -4.2443 -4.2443 -2.6215 -2.6215 -0.6346 -0.6346 -0.0889 -0.0889 0.0195 0.0195 0.3002 0.3002 0.4407 0.4407 1.9445 1.9445 2.3862 2.3862 2.8506 2.8506 3.1405 3.1405 3.2246 3.2246 3.4328 3.4328 3.6480 3.6480 3.7372 3.7372 3.7494 3.7494 3.8837 3.8837 4.4125 4.4125 4.4678 4.4678 5.9744 5.9744 5.9899 5.9899 6.1689 6.1689 6.3031 6.3031 6.3226 6.3226 6.3983 6.3983 7.0705 7.0705 7.2199 7.2199 7.3286 7.3286 7.3415 7.3415 8.7297 8.7297 8.8325 8.8325 k = 0.0000 0.0000 0.4587 ( 7022 PWs) bands (ev): -10.3675 -10.3675 -9.3267 -9.3267 -7.1358 -7.1358 -7.1241 -7.1241 -6.9032 -6.9032 -6.8878 -6.8878 -4.2461 -4.2461 -2.6223 -2.6223 -0.6352 -0.6352 -0.0905 -0.0905 0.0202 0.0202 0.3014 0.3014 0.4388 0.4388 1.9403 1.9403 2.3862 2.3862 2.8494 2.8494 3.1483 3.1483 3.2247 3.2247 3.4269 3.4269 3.6483 3.6483 3.7382 3.7382 3.7508 3.7508 3.8820 3.8820 4.4174 4.4174 4.4718 4.4718 5.9743 5.9743 5.9901 5.9901 6.1689 6.1689 6.3025 6.3025 6.3218 6.3218 6.3980 6.3980 7.0708 7.0708 7.2234 7.2234 7.3306 7.3306 7.3383 7.3383 8.7284 8.7284 8.8302 8.8302 k = 0.0000 0.0000 0.4587 ( 7022 PWs) bands (ev): -10.3675 -10.3675 -9.3267 -9.3267 -7.1358 -7.1358 -7.1241 -7.1241 -6.9032 -6.9032 -6.8878 -6.8878 -4.2461 -4.2461 -2.6223 -2.6223 -0.6352 -0.6352 -0.0905 -0.0905 0.0202 0.0202 0.3014 0.3014 0.4388 0.4388 1.9403 1.9403 2.3862 2.3862 2.8494 2.8494 3.1483 3.1483 3.2247 3.2247 3.4269 3.4269 3.6483 3.6483 3.7382 3.7382 3.7508 3.7508 3.8820 3.8820 4.4174 4.4174 4.4718 4.4718 5.9743 5.9743 5.9901 5.9901 6.1689 6.1689 6.3025 6.3025 6.3218 6.3218 6.3980 6.3980 7.0708 7.0708 7.2234 7.2234 7.3306 7.3306 7.3383 7.3383 8.7284 8.7284 8.8302 8.8302 k = 0.0161-0.0093 0.4587 ( 7016 PWs) bands (ev): -10.3671 -10.3671 -9.3263 -9.3263 -7.1362 -7.1362 -7.1254 -7.1254 -6.9036 -6.9036 -6.8887 -6.8887 -4.2443 -4.2443 -2.6213 -2.6213 -0.6345 -0.6345 -0.0905 -0.0905 0.0219 0.0219 0.3035 0.3035 0.4365 0.4365 1.9447 1.9447 2.3862 2.3862 2.8503 2.8503 3.1485 3.1485 3.2194 3.2194 3.4298 3.4298 3.6452 3.6452 3.7385 3.7385 3.7509 3.7509 3.8832 3.8832 4.4131 4.4131 4.4670 4.4670 5.9742 5.9742 5.9903 5.9903 6.1689 6.1689 6.3032 6.3032 6.3225 6.3225 6.3983 6.3983 7.0703 7.0703 7.2212 7.2212 7.3313 7.3313 7.3368 7.3368 8.7311 8.7311 8.8333 8.8333 k = 0.0323-0.0186 0.4587 ( 7000 PWs) bands (ev): -10.3659 -10.3659 -9.3249 -9.3249 -7.1374 -7.1374 -7.1294 -7.1294 -6.9050 -6.9050 -6.8914 -6.8914 -4.2392 -4.2392 -2.6185 -2.6185 -0.6325 -0.6325 -0.0906 -0.0906 0.0269 0.0269 0.3098 0.3098 0.4300 0.4300 1.9577 1.9577 2.3861 2.3861 2.8531 2.8531 3.1488 3.1488 3.2048 3.2048 3.4373 3.4373 3.6359 3.6359 3.7397 3.7397 3.7511 3.7511 3.8872 3.8872 4.3986 4.3986 4.4547 4.4547 5.9737 5.9737 5.9911 5.9911 6.1686 6.1686 6.3052 6.3052 6.3246 6.3246 6.3992 6.3992 7.0686 7.0686 7.2149 7.2149 7.3257 7.3257 7.3397 7.3397 8.7392 8.7392 8.8423 8.8423 k = 0.0484-0.0279 0.4587 ( 6998 PWs) bands (ev): -10.3639 -10.3639 -9.3228 -9.3228 -7.1402 -7.1402 -7.1351 -7.1351 -6.9074 -6.9074 -6.8959 -6.8959 -4.2308 -4.2308 -2.6138 -2.6138 -0.6291 -0.6291 -0.0907 -0.0907 0.0351 0.0351 0.3202 0.3202 0.4195 0.4195 1.9788 1.9788 2.3860 2.3860 2.8575 2.8575 3.1494 3.1494 3.1835 3.1835 3.4466 3.4466 3.6204 3.6204 3.7413 3.7413 3.7517 3.7517 3.8943 3.8943 4.3702 4.3702 4.4393 4.4393 5.9727 5.9727 5.9921 5.9921 6.1677 6.1677 6.3081 6.3081 6.3285 6.3285 6.4007 6.4007 7.0653 7.0653 7.2056 7.2056 7.3136 7.3136 7.3473 7.3473 8.7523 8.7523 8.8564 8.8564 k = 0.0645-0.0372 0.4587 ( 6994 PWs) bands (ev): -10.3610 -10.3610 -9.3197 -9.3197 -7.1477 -7.1477 -7.1394 -7.1394 -6.9106 -6.9106 -6.9020 -6.9020 -4.2191 -4.2191 -2.6073 -2.6073 -0.6244 -0.6244 -0.0907 -0.0907 0.0465 0.0465 0.3346 0.3346 0.4056 0.4056 2.0075 2.0075 2.3858 2.3858 2.8636 2.8636 3.1495 3.1495 3.1585 3.1585 3.4549 3.4549 3.5989 3.5989 3.7432 3.7432 3.7531 3.7531 3.9050 3.9050 4.3267 4.3267 4.4235 4.4235 5.9710 5.9710 5.9932 5.9932 6.1659 6.1659 6.3114 6.3114 6.3343 6.3343 6.4031 6.4031 7.0600 7.0600 7.1940 7.1940 7.2984 7.2984 7.3566 7.3566 8.7698 8.7698 8.8745 8.8745 k = 0.0806-0.0466 0.4587 ( 7000 PWs) bands (ev): -10.3575 -10.3575 -9.3158 -9.3158 -7.1593 -7.1593 -7.1426 -7.1426 -6.9151 -6.9151 -6.9094 -6.9094 -4.2044 -4.2044 -2.5990 -2.5990 -0.6184 -0.6184 -0.0906 -0.0906 0.0609 0.0609 0.3526 0.3526 0.3893 0.3893 2.0430 2.0430 2.3855 2.3855 2.8710 2.8710 3.1285 3.1285 3.1520 3.1520 3.4604 3.4604 3.5717 3.5717 3.7447 3.7447 3.7556 3.7556 3.9196 3.9196 4.2702 4.2702 4.4068 4.4068 5.9688 5.9688 5.9939 5.9939 6.1628 6.1628 6.3147 6.3147 6.3422 6.3422 6.4065 6.4065 7.0518 7.0518 7.1810 7.1810 7.2819 7.2819 7.3667 7.3667 8.7909 8.7909 8.8953 8.8953 k = 0.0968-0.0559 0.4587 ( 7004 PWs) bands (ev): -10.3531 -10.3531 -9.3111 -9.3111 -7.1736 -7.1736 -7.1461 -7.1461 -6.9220 -6.9220 -6.9168 -6.9168 -4.1867 -4.1867 -2.5889 -2.5889 -0.6112 -0.6112 -0.0904 -0.0904 0.0782 0.0782 0.3664 0.3664 0.3789 0.3789 2.0844 2.0844 2.3852 2.3852 2.8794 2.8794 3.0987 3.0987 3.1531 3.1531 3.4620 3.4620 3.5394 3.5394 3.7453 3.7453 3.7596 3.7596 3.9384 3.9384 4.2034 4.2034 4.3884 4.3884 5.9659 5.9659 5.9938 5.9938 6.1582 6.1582 6.3179 6.3179 6.3518 6.3518 6.4112 6.4112 7.0402 7.0402 7.1669 7.1669 7.2659 7.2659 7.3772 7.3772 8.8147 8.8147 8.9176 8.9176 k = 0.1129-0.0652 0.4587 ( 7002 PWs) bands (ev): -10.3481 -10.3481 -9.3057 -9.3057 -7.1901 -7.1901 -7.1500 -7.1500 -6.9322 -6.9322 -6.9231 -6.9231 -4.1664 -4.1664 -2.5772 -2.5772 -0.6028 -0.6028 -0.0898 -0.0898 0.0979 0.0979 0.3491 0.3491 0.4018 0.4018 2.1306 2.1306 2.3849 2.3849 2.8884 2.8884 3.0679 3.0679 3.1545 3.1545 3.4589 3.4589 3.5031 3.5031 3.7450 3.7450 3.7648 3.7648 3.9609 3.9609 4.1289 4.1289 4.3680 4.3680 5.9625 5.9625 5.9928 5.9928 6.1522 6.1522 6.3208 6.3208 6.3624 6.3624 6.4173 6.4173 7.0248 7.0248 7.1519 7.1519 7.2518 7.2518 7.3875 7.3875 8.8402 8.8402 8.9403 8.9403 k = 0.1290-0.0745 0.4587 ( 7004 PWs) bands (ev): -10.3424 -10.3424 -9.2995 -9.2995 -7.2086 -7.2086 -7.1543 -7.1543 -6.9445 -6.9445 -6.9294 -6.9294 -4.1437 -4.1437 -2.5640 -2.5640 -0.5933 -0.5933 -0.0888 -0.0888 0.1198 0.1198 0.3293 0.3293 0.4305 0.4305 2.1806 2.1806 2.3844 2.3844 2.8974 2.8974 3.0368 3.0368 3.1562 3.1562 3.4488 3.4488 3.4660 3.4660 3.7440 3.7440 3.7710 3.7710 3.9845 3.9845 4.0510 4.0510 4.3456 4.3456 5.9585 5.9585 5.9905 5.9905 6.1446 6.1446 6.3234 6.3234 6.3733 6.3733 6.4249 6.4249 7.0057 7.0057 7.1363 7.1363 7.2404 7.2404 7.3977 7.3977 8.8667 8.8667 8.9627 8.9627 k = 0.1452-0.0838 0.4587 ( 7006 PWs) bands (ev): -10.3361 -10.3361 -9.2925 -9.2925 -7.2289 -7.2289 -7.1590 -7.1590 -6.9584 -6.9584 -6.9362 -6.9362 -4.1189 -4.1189 -2.5494 -2.5494 -0.5827 -0.5827 -0.0872 -0.0872 0.1430 0.1430 0.3103 0.3103 0.4622 0.4622 2.2330 2.2330 2.3839 2.3839 2.9058 2.9058 3.0058 3.0058 3.1579 3.1579 3.4158 3.4158 3.4457 3.4457 3.7425 3.7425 3.7779 3.7779 3.9551 3.9551 4.0251 4.0251 4.3213 4.3213 5.9540 5.9540 5.9867 5.9867 6.1360 6.1360 6.3256 6.3256 6.3841 6.3841 6.4340 6.4340 6.9838 6.9838 7.1202 7.1202 7.2318 7.2318 7.4074 7.4074 8.8932 8.8932 8.9842 8.9842 k = 0.1613-0.0931 0.4587 ( 7012 PWs) bands (ev): -10.3292 -10.3292 -9.2850 -9.2850 -7.2507 -7.2507 -7.1641 -7.1641 -6.9735 -6.9735 -6.9433 -6.9433 -4.0922 -4.0922 -2.5334 -2.5334 -0.5712 -0.5712 -0.0851 -0.0851 0.1662 0.1662 0.2940 0.2940 0.4967 0.4967 2.2865 2.2865 2.3833 2.3833 2.9123 2.9123 2.9750 2.9750 3.1598 3.1598 3.3727 3.3727 3.4310 3.4310 3.7408 3.7408 3.7849 3.7849 3.8708 3.8708 4.0544 4.0544 4.2955 4.2955 5.9489 5.9489 5.9812 5.9812 6.1264 6.1264 6.3273 6.3273 6.3944 6.3944 6.4442 6.4442 6.9602 6.9602 7.1037 7.1037 7.2257 7.2257 7.4165 7.4165 8.9192 8.9192 9.0045 9.0045 k = 0.1774-0.1024 0.4587 ( 7012 PWs) bands (ev): -10.3218 -10.3218 -9.2769 -9.2769 -7.2737 -7.2737 -7.1695 -7.1695 -6.9897 -6.9897 -6.9509 -6.9509 -4.0639 -4.0639 -2.5163 -2.5163 -0.5590 -0.5590 -0.0821 -0.0821 0.1862 0.1862 0.2839 0.2839 0.5335 0.5335 2.3393 2.3393 2.3826 2.3826 2.9155 2.9155 2.9453 2.9453 3.1618 3.1618 3.3293 3.3293 3.4145 3.4145 3.7389 3.7389 3.7798 3.7798 3.7957 3.7957 4.0881 4.0881 4.2688 4.2688 5.9431 5.9431 5.9738 5.9738 6.1165 6.1165 6.3287 6.3287 6.4042 6.4042 6.4551 6.4551 6.9362 6.9362 7.0868 7.0868 7.2215 7.2215 7.4250 7.4250 8.9442 8.9442 9.0232 9.0232 k = 0.1935-0.1117 0.4587 ( 7016 PWs) bands (ev): -10.3139 -10.3139 -9.2682 -9.2682 -7.2977 -7.2977 -7.1750 -7.1750 -7.0068 -7.0068 -6.9587 -6.9587 -4.0344 -4.0344 -2.4982 -2.4982 -0.5461 -0.5461 -0.0783 -0.0783 0.1974 0.1974 0.2860 0.2860 0.5723 0.5723 2.3804 2.3804 2.3911 2.3911 2.9093 2.9093 2.9211 2.9211 3.1638 3.1638 3.2884 3.2884 3.3960 3.3960 3.6959 3.6959 3.7381 3.7381 3.7998 3.7998 4.1232 4.1232 4.2418 4.2418 5.9367 5.9367 5.9643 5.9643 6.1066 6.1066 6.3296 6.3296 6.4132 6.4132 6.4660 6.4660 6.9128 6.9128 7.0698 7.0698 7.2189 7.2189 7.4329 7.4329 8.9681 8.9681 9.0396 9.0396 k = 0.2097-0.1210 0.4587 ( 7016 PWs) bands (ev): -10.3056 -10.3056 -9.2591 -9.2591 -7.3225 -7.3225 -7.1808 -7.1808 -7.0247 -7.0247 -6.9668 -6.9668 -4.0040 -4.0040 -2.4792 -2.4792 -0.5329 -0.5329 -0.0735 -0.0735 0.1974 0.1974 0.3028 0.3028 0.6125 0.6125 2.3803 2.3803 2.4354 2.4354 2.8851 2.8851 2.9098 2.9098 3.1656 3.1656 3.2526 3.2526 3.3755 3.3755 3.6140 3.6140 3.7376 3.7376 3.8054 3.8054 4.1588 4.1588 4.2156 4.2156 5.9292 5.9292 5.9528 5.9528 6.0970 6.0970 6.3301 6.3301 6.4214 6.4214 6.4767 6.4767 6.8910 6.8910 7.0528 7.0528 7.2174 7.2174 7.4400 7.4400 8.9907 8.9907 9.0525 9.0525 k = 0.2258-0.1303 0.4587 ( 7018 PWs) bands (ev): -10.2971 -10.2971 -9.2496 -9.2496 -7.3477 -7.3477 -7.1867 -7.1867 -7.0432 -7.0432 -6.9751 -6.9751 -3.9730 -3.9730 -2.4596 -2.4596 -0.5194 -0.5194 -0.0676 -0.0676 0.1917 0.1917 0.3290 0.3290 0.6538 0.6538 2.3791 2.3791 2.4716 2.4716 2.8603 2.8603 2.8935 2.8935 3.1671 3.1671 3.2242 3.2242 3.3527 3.3527 3.5390 3.5390 3.7386 3.7386 3.8093 3.8093 4.1863 4.1863 4.1990 4.1990 5.9203 5.9203 5.9397 5.9397 6.0881 6.0881 6.3304 6.3304 6.4286 6.4286 6.4868 6.4868 6.8716 6.8716 7.0358 7.0358 7.2171 7.2171 7.4463 7.4463 9.0121 9.0121 9.0600 9.0600 k = 0.2419-0.1397 0.4587 ( 7014 PWs) bands (ev): -10.2883 -10.2883 -9.2399 -9.2399 -7.3732 -7.3732 -7.1926 -7.1926 -7.0621 -7.0621 -6.9834 -6.9834 -3.9417 -3.9417 -2.4395 -2.4395 -0.5061 -0.5061 -0.0606 -0.0606 0.1855 0.1855 0.3595 0.3595 0.6956 0.6956 2.3778 2.3778 2.4946 2.4946 2.8394 2.8394 2.8691 2.8691 3.1678 3.1678 3.2046 3.2046 3.3266 3.3266 3.4746 3.4746 3.7419 3.7419 3.8107 3.8107 4.1671 4.1671 4.2314 4.2314 5.9087 5.9087 5.9263 5.9263 6.0799 6.0799 6.3305 6.3305 6.4347 6.4347 6.4959 6.4959 6.8549 6.8549 7.0193 7.0193 7.2178 7.2178 7.4519 7.4519 9.0323 9.0323 9.0608 9.0608 k = 0.2581-0.1490 0.4587 ( 7012 PWs) bands (ev): -10.2793 -10.2793 -9.2299 -9.2299 -7.3986 -7.3986 -7.1985 -7.1985 -7.0812 -7.0812 -6.9917 -6.9917 -3.9104 -3.9104 -2.4192 -2.4192 -0.4931 -0.4931 -0.0523 -0.0523 0.1812 0.1812 0.3918 0.3918 0.7374 0.7374 2.3762 2.3762 2.4998 2.4998 2.8216 2.8216 2.8407 2.8407 3.1672 3.1672 3.1935 3.1935 3.2959 3.2959 3.4247 3.4247 3.7483 3.7483 3.8087 3.8087 4.1488 4.1488 4.2658 4.2658 5.8927 5.8927 5.9143 5.9143 6.0726 6.0726 6.3304 6.3304 6.4395 6.4395 6.5040 6.5040 6.8412 6.8412 7.0031 7.0031 7.2199 7.2199 7.4565 7.4565 9.0495 9.0495 9.0565 9.0565 k = 0.2742-0.1583 0.4587 ( 7006 PWs) bands (ev): -10.2703 -10.2703 -9.2198 -9.2198 -7.4238 -7.4238 -7.2043 -7.2043 -7.1003 -7.1003 -6.9999 -6.9999 -3.8795 -3.8795 -2.3988 -2.3988 -0.4808 -0.4808 -0.0429 -0.0429 0.1802 0.1802 0.4245 0.4245 0.7785 0.7785 2.3744 2.3744 2.4851 2.4851 2.7919 2.7919 2.8258 2.8258 3.1652 3.1652 3.1888 3.1888 3.2618 3.2618 3.3900 3.3900 3.7587 3.7587 3.8027 3.8027 4.1353 4.1353 4.2992 4.2992 5.8730 5.8730 5.9036 5.9036 6.0661 6.0661 6.3303 6.3303 6.4429 6.4429 6.5111 6.5111 6.8303 6.8303 6.9878 6.9878 7.2234 7.2234 7.4604 7.4604 9.0406 9.0406 9.0712 9.0712 k = 0.2903-0.1676 0.4587 ( 7006 PWs) bands (ev): -10.2613 -10.2613 -9.2098 -9.2098 -7.4484 -7.4484 -7.2101 -7.2101 -7.1193 -7.1193 -7.0079 -7.0079 -3.8493 -3.8493 -2.3787 -2.3787 -0.4694 -0.4694 -0.0323 -0.0323 0.1830 0.1830 0.4569 0.4569 0.8183 0.8183 2.3722 2.3722 2.4523 2.4523 2.7526 2.7526 2.8223 2.8223 3.1626 3.1626 3.1869 3.1869 3.2286 3.2286 3.3670 3.3670 3.7740 3.7740 3.7928 3.7928 4.1270 4.1270 4.3309 4.3309 5.8506 5.8506 5.8932 5.8932 6.0603 6.0603 6.3301 6.3301 6.4451 6.4451 6.5169 6.5169 6.8222 6.8222 6.9732 6.9732 7.2286 7.2286 7.4634 7.4634 9.0229 9.0229 9.0891 9.0891 k = 0.3065-0.1769 0.4587 ( 7006 PWs) bands (ev): -10.2525 -10.2525 -9.1998 -9.1998 -7.4723 -7.4723 -7.2156 -7.2156 -7.1379 -7.1379 -7.0157 -7.0157 -3.8200 -3.8200 -2.3589 -2.3589 -0.4592 -0.4592 -0.0205 -0.0205 0.1901 0.1901 0.4881 0.4881 0.8562 0.8562 2.3691 2.3691 2.4064 2.4064 2.7119 2.7119 2.8204 2.8204 3.1593 3.1593 3.1843 3.1843 3.2016 3.2016 3.3512 3.3512 3.7786 3.7786 3.7961 3.7961 4.1238 4.1238 4.3605 4.3605 5.8267 5.8267 5.8828 5.8828 6.0551 6.0551 6.3299 6.3299 6.4461 6.4461 6.5217 6.5217 6.8162 6.8162 6.9597 6.9597 7.2358 7.2358 7.4655 7.4655 9.0010 9.0010 9.1064 9.1064 k = 0.3226-0.1862 0.4587 ( 7006 PWs) bands (ev): -10.2439 -10.2439 -9.1901 -9.1901 -7.4952 -7.4952 -7.2209 -7.2209 -7.1560 -7.1560 -7.0231 -7.0231 -3.7919 -3.7919 -2.3398 -2.3398 -0.4503 -0.4503 -0.0076 -0.0076 0.2017 0.2017 0.5175 0.5175 0.8915 0.8915 2.3447 2.3447 2.3723 2.3723 2.6726 2.6726 2.8170 2.8170 3.1540 3.1540 3.1729 3.1729 3.1902 3.1902 3.3392 3.3392 3.7630 3.7630 3.8237 3.8237 4.1250 4.1250 4.3878 4.3878 5.8016 5.8016 5.8723 5.8723 6.0504 6.0504 6.3297 6.3297 6.4464 6.4464 6.5254 6.5254 6.8120 6.8120 6.9474 6.9474 7.2450 7.2450 7.4668 7.4668 8.9757 8.9757 9.1233 9.1233 k = 0.3387-0.1955 0.4587 ( 7022 PWs) bands (ev): -10.2356 -10.2356 -9.1807 -9.1807 -7.5169 -7.5169 -7.2259 -7.2259 -7.1733 -7.1733 -7.0301 -7.0301 -3.7653 -3.7653 -2.3215 -2.3215 -0.4427 -0.4427 0.0061 0.0061 0.2177 0.2177 0.5445 0.5445 0.9235 0.9235 2.2847 2.2847 2.3685 2.3685 2.6362 2.6362 2.8110 2.8110 3.1451 3.1451 3.1598 3.1598 3.1879 3.1879 3.3285 3.3285 3.7463 3.7463 3.8577 3.8577 4.1296 4.1296 4.4122 4.4122 5.7760 5.7760 5.8617 5.8617 6.0461 6.0461 6.3295 6.3295 6.4459 6.4459 6.5281 6.5281 6.8089 6.8089 6.9364 6.9364 7.2563 7.2563 7.4673 7.4673 8.9476 8.9476 9.1395 9.1395 k = 0.3548-0.2048 0.4587 ( 7022 PWs) bands (ev): -10.2277 -10.2277 -9.1717 -9.1717 -7.5373 -7.5373 -7.2307 -7.2307 -7.1896 -7.1896 -7.0367 -7.0367 -3.7404 -3.7404 -2.3043 -2.3043 -0.4365 -0.4365 0.0205 0.0205 0.2380 0.2380 0.5682 0.5682 0.9519 0.9519 2.2207 2.2207 2.3669 2.3669 2.6037 2.6037 2.8027 2.8027 3.1345 3.1345 3.1497 3.1497 3.1867 3.1867 3.3178 3.3178 3.7300 3.7300 3.8971 3.8971 4.1366 4.1366 4.4336 4.4336 5.7503 5.7503 5.8513 5.8513 6.0423 6.0423 6.3294 6.3294 6.4452 6.4452 6.5300 6.5300 6.8066 6.8066 6.9268 6.9268 7.2696 7.2696 7.4671 7.4671 8.9175 8.9175 9.1551 9.1551 k = 0.3710-0.2141 0.4587 ( 7018 PWs) bands (ev): -10.2204 -10.2204 -9.1633 -9.1633 -7.5560 -7.5560 -7.2350 -7.2350 -7.2048 -7.2048 -7.0427 -7.0427 -3.7175 -3.7175 -2.2883 -2.2883 -0.4316 -0.4316 0.0352 0.0352 0.2622 0.2622 0.5882 0.5882 0.9760 0.9760 2.1568 2.1568 2.3663 2.3663 2.5756 2.5756 2.7929 2.7929 3.1245 3.1245 3.1400 3.1400 3.1860 3.1860 3.3061 3.3061 3.7150 3.7150 3.9407 3.9407 4.1451 4.1451 4.4516 4.4516 5.7250 5.7250 5.8411 5.8411 6.0389 6.0389 6.3294 6.3294 6.4443 6.4443 6.5310 6.5310 6.8048 6.8048 6.9185 6.9185 7.2845 7.2845 7.4664 7.4664 8.8862 8.8862 9.1697 9.1697 k = 0.3871-0.2234 0.4587 ( 7018 PWs) bands (ev): -10.2137 -10.2137 -9.1556 -9.1556 -7.5730 -7.5730 -7.2391 -7.2391 -7.2185 -7.2185 -7.0482 -7.0482 -3.6968 -3.6968 -2.2737 -2.2737 -0.4278 -0.4278 0.0499 0.0499 0.2896 0.2896 0.6037 0.6037 0.9958 0.9958 2.0953 2.0953 2.3669 2.3669 2.5520 2.5520 2.7824 2.7824 3.1133 3.1133 3.1324 3.1324 3.1856 3.1856 3.2931 3.2931 3.7022 3.7022 3.9868 3.9868 4.1541 4.1541 4.4658 4.4658 5.7006 5.7006 5.8315 5.8315 6.0358 6.0358 6.3294 6.3294 6.4435 6.4435 6.5314 6.5314 6.8030 6.8030 6.9116 6.9116 7.3006 7.3006 7.4652 7.4652 8.8545 8.8545 9.1833 9.1833 k = 0.4032-0.2328 0.4587 ( 7026 PWs) bands (ev): -10.2076 -10.2076 -9.1486 -9.1486 -7.5881 -7.5881 -7.2428 -7.2428 -7.2306 -7.2306 -7.0530 -7.0530 -3.6785 -3.6785 -2.2608 -2.2608 -0.4250 -0.4250 0.0642 0.0642 0.3197 0.3197 0.6142 0.6142 1.0114 1.0114 2.0382 2.0382 2.3690 2.3690 2.5327 2.5327 2.7719 2.7719 3.0985 3.0985 3.1295 3.1295 3.1854 3.1854 3.2788 3.2788 3.6916 3.6916 4.0336 4.0336 4.1631 4.1631 4.4762 4.4762 5.6778 5.6778 5.8225 5.8225 6.0331 6.0331 6.3294 6.3294 6.4428 6.4428 6.5313 6.5313 6.8013 6.8013 6.9060 6.9060 7.3171 7.3171 7.4636 7.4636 8.8237 8.8237 9.1956 9.1956 k = 0.4194-0.2421 0.4587 ( 7016 PWs) bands (ev): -10.2024 -10.2024 -9.1425 -9.1425 -7.6011 -7.6011 -7.2469 -7.2469 -7.2403 -7.2403 -7.0571 -7.0571 -3.6627 -3.6627 -2.2495 -2.2495 -0.4229 -0.4229 0.0776 0.0776 0.3515 0.3515 0.6194 0.6194 1.0229 1.0229 1.9871 1.9871 2.3726 2.3726 2.5172 2.5172 2.7621 2.7621 3.0814 3.0814 3.1309 3.1309 3.1854 3.1854 3.2635 3.2635 3.6834 3.6834 4.0791 4.0791 4.1715 4.1715 4.4828 4.4828 5.6571 5.6571 5.8145 5.8145 6.0308 6.0308 6.3295 6.3295 6.4423 6.4423 6.5309 6.5309 6.7998 6.7998 6.9015 6.9015 7.3333 7.3333 7.4620 7.4620 8.7947 8.7947 9.2063 9.2063 k = 0.4355-0.2514 0.4587 ( 7016 PWs) bands (ev): -10.1980 -10.1980 -9.1374 -9.1374 -7.6119 -7.6119 -7.2529 -7.2529 -7.2458 -7.2458 -7.0605 -7.0605 -3.6496 -3.6496 -2.2402 -2.2402 -0.4215 -0.4215 0.0895 0.0895 0.3838 0.3838 0.6193 0.6193 1.0309 1.0309 1.9434 1.9434 2.3773 2.3773 2.5051 2.5051 2.7534 2.7534 3.0641 3.0641 3.1356 3.1356 3.1855 3.1855 3.2475 3.2475 3.6773 3.6773 4.1215 4.1215 4.1789 4.1789 4.4857 4.4857 5.6391 5.6391 5.8076 5.8076 6.0289 6.0289 6.3296 6.3296 6.4419 6.4419 6.5303 6.5303 6.7983 6.7983 6.8981 6.8981 7.3482 7.3482 7.4604 7.4604 8.7688 8.7688 9.2153 9.2153 k = 0.4516-0.2607 0.4587 ( 7012 PWs) bands (ev): -10.1945 -10.1945 -9.1334 -9.1334 -7.6204 -7.6204 -7.2594 -7.2594 -7.2485 -7.2485 -7.0633 -7.0633 -3.6393 -3.6393 -2.2328 -2.2328 -0.4206 -0.4206 0.0994 0.0994 0.4150 0.4150 0.6143 0.6143 1.0361 1.0361 1.9083 1.9083 2.3826 2.3826 2.4959 2.4959 2.7462 2.7462 3.0484 3.0484 3.1429 3.1429 3.1855 3.1855 3.2314 3.2314 3.6730 3.6730 4.1585 4.1585 4.1851 4.1851 4.4857 4.4857 5.6243 5.6243 5.8021 5.8021 6.0274 6.0274 6.3298 6.3298 6.4416 6.4416 6.5297 6.5297 6.7971 6.7971 6.8956 6.8956 7.3611 7.3611 7.4589 7.4589 8.7472 8.7472 9.2224 9.2224 k = 0.4677-0.2700 0.4587 ( 7008 PWs) bands (ev): -10.1919 -10.1919 -9.1304 -9.1304 -7.6266 -7.6266 -7.2643 -7.2643 -7.2501 -7.2501 -7.0652 -7.0652 -3.6318 -3.6318 -2.2274 -2.2274 -0.4200 -0.4200 0.1070 0.1070 0.4428 0.4428 0.6059 0.6059 1.0392 1.0392 1.8826 1.8826 2.3876 2.3876 2.4894 2.4894 2.7408 2.7408 3.0357 3.0357 3.1524 3.1524 3.1853 3.1853 3.2159 3.2159 3.6702 3.6702 4.1870 4.1870 4.1904 4.1904 4.4837 4.4837 5.6134 5.6134 5.7980 5.7980 6.0263 6.0263 6.3299 6.3299 6.4414 6.4414 6.5292 6.5292 6.7961 6.7961 6.8939 6.8939 7.3710 7.3710 7.4578 7.4578 8.7309 8.7309 9.2276 9.2276 k = 0.4839-0.2793 0.4587 ( 7006 PWs) bands (ev): -10.1904 -10.1904 -9.1287 -9.1287 -7.6303 -7.6303 -7.2673 -7.2673 -7.2510 -7.2510 -7.0664 -7.0664 -3.6273 -3.6273 -2.2242 -2.2242 -0.4197 -0.4197 0.1116 0.1116 0.4634 0.4634 0.5971 0.5971 1.0408 1.0408 1.8669 1.8669 2.3911 2.3911 2.4854 2.4854 2.7375 2.7375 3.0275 3.0275 3.1627 3.1627 3.1843 3.1843 3.2027 3.2027 3.6686 3.6686 4.1922 4.1922 4.2070 4.2070 4.4815 4.4815 5.6067 5.6067 5.7955 5.7955 6.0257 6.0257 6.3299 6.3299 6.4414 6.4414 6.5288 6.5288 6.7955 6.7955 6.8929 6.8929 7.3772 7.3772 7.4571 7.4571 8.7208 8.7208 9.2307 9.2307 k = 0.5000-0.2886 0.4587 ( 7000 PWs) bands (ev): -10.1899 -10.1899 -9.1281 -9.1281 -7.6315 -7.6315 -7.2684 -7.2684 -7.2513 -7.2513 -7.0668 -7.0668 -3.6258 -3.6258 -2.2231 -2.2231 -0.4196 -0.4196 0.1132 0.1132 0.4714 0.4714 0.5931 0.5931 1.0412 1.0412 1.8617 1.8617 2.3924 2.3924 2.4840 2.4840 2.7364 2.7364 3.0247 3.0247 3.1693 3.1693 3.1824 3.1824 3.1969 3.1969 3.6681 3.6681 4.1932 4.1932 4.2136 4.2136 4.4805 4.4805 5.6044 5.6044 5.7947 5.7947 6.0254 6.0254 6.3299 6.3299 6.4413 6.4413 6.5287 6.5287 6.7953 6.7953 6.8926 6.8926 7.3793 7.3793 7.4568 7.4568 8.7173 8.7173 9.2317 9.2317 k = 0.5000-0.2886 0.4587 ( 7000 PWs) bands (ev): -10.1899 -10.1899 -9.1281 -9.1281 -7.6315 -7.6315 -7.2684 -7.2684 -7.2513 -7.2513 -7.0668 -7.0668 -3.6258 -3.6258 -2.2231 -2.2231 -0.4196 -0.4196 0.1132 0.1132 0.4714 0.4714 0.5931 0.5931 1.0412 1.0412 1.8617 1.8617 2.3924 2.3924 2.4840 2.4840 2.7364 2.7364 3.0247 3.0247 3.1693 3.1693 3.1824 3.1824 3.1969 3.1969 3.6681 3.6681 4.1932 4.1932 4.2136 4.2136 4.4805 4.4805 5.6044 5.6044 5.7947 5.7947 6.0254 6.0254 6.3299 6.3299 6.4413 6.4413 6.5287 6.5287 6.7953 6.7953 6.8926 6.8926 7.3793 7.3793 7.4568 7.4568 8.7173 8.7173 9.2317 9.2317 k = 0.5092-0.2727 0.4587 ( 6994 PWs) bands (ev): -10.1898 -10.1898 -9.1278 -9.1278 -7.6311 -7.6311 -7.2681 -7.2681 -7.2532 -7.2532 -7.0667 -7.0667 -3.6251 -3.6251 -2.2221 -2.2221 -0.4183 -0.4183 0.1132 0.1132 0.4695 0.4695 0.5922 0.5922 1.0389 1.0389 1.8631 1.8631 2.3948 2.3948 2.4844 2.4844 2.7314 2.7314 3.0242 3.0242 3.1436 3.1436 3.1925 3.1925 3.2186 3.2186 3.6690 3.6690 4.1839 4.1839 4.2239 4.2239 4.4809 4.4809 5.6033 5.6033 5.7940 5.7940 6.0241 6.0241 6.3301 6.3301 6.4416 6.4416 6.5286 6.5286 6.7951 6.7951 6.8942 6.8942 7.3799 7.3799 7.4551 7.4551 8.7149 8.7149 9.2174 9.2174 k = 0.5184-0.2567 0.4587 ( 7002 PWs) bands (ev): -10.1894 -10.1894 -9.1272 -9.1272 -7.6297 -7.6297 -7.2672 -7.2672 -7.2587 -7.2587 -7.0667 -7.0667 -3.6229 -3.6229 -2.2192 -2.2192 -0.4144 -0.4144 0.1131 0.1131 0.4639 0.4639 0.5895 0.5895 1.0320 1.0320 1.8676 1.8676 2.4017 2.4017 2.4854 2.4854 2.7166 2.7166 3.0225 3.0225 3.1193 3.1193 3.1932 3.1932 3.2607 3.2607 3.6714 3.6714 4.1694 4.1694 4.2417 4.2417 4.4818 4.4818 5.5999 5.5999 5.7921 5.7921 6.0201 6.0201 6.3306 6.3306 6.4423 6.4423 6.5283 6.5283 6.7945 6.7945 6.8988 6.8988 7.3817 7.3817 7.4498 7.4498 8.7075 8.7075 9.1960 9.1960 k = 0.5276-0.2408 0.4587 ( 7002 PWs) bands (ev): -10.1888 -10.1888 -9.1260 -9.1260 -7.6275 -7.6275 -7.2676 -7.2676 -7.2658 -7.2658 -7.0668 -7.0668 -3.6192 -3.6192 -2.2144 -2.2144 -0.4078 -0.4078 0.1129 0.1129 0.4548 0.4548 0.5850 0.5850 1.0207 1.0207 1.8749 1.8749 2.4129 2.4129 2.4870 2.4870 2.6926 2.6926 3.0188 3.0188 3.1041 3.1041 3.1936 3.1936 3.3064 3.3064 3.6755 3.6755 4.1545 4.1545 4.2620 4.2620 4.4833 4.4833 5.5942 5.5942 5.7892 5.7892 6.0135 6.0135 6.3315 6.3315 6.4435 6.4435 6.5279 6.5279 6.7936 6.7936 6.9065 6.9065 7.3847 7.3847 7.4414 7.4414 8.6949 8.6949 9.1733 9.1733 k = 0.5368-0.2248 0.4587 ( 7002 PWs) bands (ev): -10.1880 -10.1880 -9.1245 -9.1245 -7.6243 -7.6243 -7.2794 -7.2794 -7.2639 -7.2639 -7.0673 -7.0673 -3.6143 -3.6143 -2.2078 -2.2078 -0.3986 -0.3986 0.1128 0.1128 0.4422 0.4422 0.5791 0.5791 1.0052 1.0052 1.8850 1.8850 2.4282 2.4282 2.4893 2.4893 2.6609 2.6609 3.0134 3.0134 3.0976 3.0976 3.1942 3.1942 3.3537 3.3537 3.6809 3.6809 4.1397 4.1397 4.2842 4.2842 4.4851 4.4851 5.5860 5.5860 5.7856 5.7856 6.0044 6.0044 6.3329 6.3329 6.4450 6.4450 6.5273 6.5273 6.7922 6.7922 6.9171 6.9171 7.3887 7.3887 7.4302 7.4302 8.6769 8.6769 9.1504 9.1504 k = 0.5460-0.2089 0.4587 ( 7002 PWs) bands (ev): -10.1870 -10.1870 -9.1225 -9.1225 -7.6203 -7.6203 -7.2938 -7.2938 -7.2613 -7.2613 -7.0685 -7.0685 -3.6083 -3.6083 -2.1997 -2.1997 -0.3869 -0.3869 0.1126 0.1126 0.4265 0.4265 0.5720 0.5720 0.9859 0.9859 1.8979 1.8979 2.4468 2.4468 2.4922 2.4922 2.6229 2.6229 3.0072 3.0072 3.0980 3.0980 3.1951 3.1951 3.4017 3.4017 3.6878 3.6878 4.1248 4.1248 4.3083 4.3083 4.4871 4.4871 5.5753 5.5753 5.7816 5.7816 5.9931 5.9931 6.3347 6.3347 6.4467 6.4467 6.5265 6.5265 6.7903 6.7903 6.9304 6.9304 7.3933 7.3933 7.4173 7.4173 8.6536 8.6536 9.1278 9.1278 k = 0.5552-0.1929 0.4587 ( 7012 PWs) bands (ev): -10.1858 -10.1858 -9.1202 -9.1202 -7.6154 -7.6154 -7.3103 -7.3103 -7.2583 -7.2583 -7.0704 -7.0704 -3.6014 -3.6014 -2.1901 -2.1901 -0.3726 -0.3726 0.1124 0.1124 0.4080 0.4080 0.5640 0.5640 0.9632 0.9632 1.9133 1.9133 2.4682 2.4682 2.4961 2.4961 2.5805 2.5805 3.0014 3.0014 3.1026 3.1026 3.1965 3.1965 3.4496 3.4496 3.6957 3.6957 4.1097 4.1097 4.3341 4.3341 4.4890 4.4890 5.5621 5.5621 5.7777 5.7777 5.9796 5.9796 6.3370 6.3370 6.4486 6.4486 6.5258 6.5258 6.7878 6.7878 6.9461 6.9461 7.3934 7.3934 7.4081 7.4081 8.6251 8.6251 9.1057 9.1057 k = 0.5644-0.1770 0.4587 ( 7019 PWs) bands (ev): -10.1846 -10.1846 -9.1175 -9.1175 -7.6097 -7.6097 -7.3285 -7.3285 -7.2547 -7.2547 -7.0733 -7.0733 -3.5939 -3.5939 -2.1794 -2.1794 -0.3557 -0.3557 0.1122 0.1122 0.3870 0.3870 0.5557 0.5557 0.9375 0.9375 1.9312 1.9312 2.4891 2.4891 2.5026 2.5026 2.5361 2.5361 2.9961 2.9961 3.1096 3.1096 3.1984 3.1984 3.4969 3.4969 3.7047 3.7047 4.0945 4.0945 4.3614 4.3614 4.4906 4.4906 5.5465 5.5465 5.7742 5.7742 5.9642 5.9642 6.3400 6.3400 6.4504 6.4504 6.5250 6.5250 6.7849 6.7849 6.9640 6.9640 7.3798 7.3798 7.4124 7.4124 8.5922 8.5922 9.0845 9.0845 k = 0.5736-0.1610 0.4587 ( 7030 PWs) bands (ev): -10.1832 -10.1832 -9.1145 -9.1145 -7.6031 -7.6031 -7.3480 -7.3480 -7.2506 -7.2506 -7.0772 -7.0772 -3.5859 -3.5859 -2.1678 -2.1678 -0.3364 -0.3364 0.1118 0.1118 0.3640 0.3640 0.5477 0.5477 0.9092 0.9092 1.9512 1.9512 2.4847 2.4847 2.5016 2.5016 2.5253 2.5253 2.9913 2.9913 3.1178 3.1178 3.2011 3.2011 3.5432 3.5432 3.7143 3.7143 4.0790 4.0790 4.3899 4.3899 4.4915 4.4915 5.5289 5.5289 5.7712 5.7712 5.9472 5.9472 6.3436 6.3436 6.4521 6.4521 6.5244 6.5244 6.7813 6.7813 6.9837 6.9837 7.3620 7.3620 7.4209 7.4209 8.5558 8.5558 9.0643 9.0643 k = 0.5828-0.1451 0.4587 ( 7026 PWs) bands (ev): -10.1818 -10.1818 -9.1113 -9.1113 -7.5958 -7.5958 -7.3684 -7.3684 -7.2459 -7.2459 -7.0821 -7.0821 -3.5779 -3.5779 -2.1556 -2.1556 -0.3148 -0.3148 0.1111 0.1111 0.3391 0.3391 0.5406 0.5406 0.8788 0.8788 1.9733 1.9733 2.4386 2.4386 2.5063 2.5063 2.5521 2.5521 2.9864 2.9864 3.1261 3.1261 3.2045 3.2045 3.5882 3.5882 3.7244 3.7244 4.0635 4.0635 4.4192 4.4192 4.4917 4.4917 5.5099 5.5099 5.7691 5.7691 5.9289 5.9289 6.3478 6.3478 6.4534 6.4534 6.5241 6.5241 6.7774 6.7774 7.0050 7.0050 7.3430 7.3430 7.4311 7.4311 8.5170 8.5170 9.0453 9.0453 k = 0.5921-0.1291 0.4587 ( 7026 PWs) bands (ev): -10.1805 -10.1805 -9.1078 -9.1078 -7.5876 -7.5876 -7.3893 -7.3893 -7.2408 -7.2408 -7.0879 -7.0879 -3.5701 -3.5701 -2.1431 -2.1431 -0.2910 -0.2910 0.1099 0.1099 0.3129 0.3129 0.5353 0.5353 0.8466 0.8466 1.9972 1.9972 2.3913 2.3913 2.5113 2.5113 2.5815 2.5815 2.9811 2.9811 3.1339 3.1339 3.2089 3.2089 3.6316 3.6316 3.7346 3.7346 4.0481 4.0481 4.4485 4.4485 4.4909 4.4909 5.4900 5.4900 5.7678 5.7678 5.9096 5.9096 6.3526 6.3526 6.4543 6.4543 6.5240 6.5240 6.7729 6.7729 7.0274 7.0274 7.3235 7.3235 7.4424 7.4424 8.4773 8.4773 9.0280 9.0280 k = 0.6013-0.1132 0.4587 ( 7024 PWs) bands (ev): -10.1792 -10.1792 -9.1042 -9.1042 -7.5787 -7.5787 -7.4105 -7.4105 -7.2352 -7.2352 -7.0946 -7.0946 -3.5628 -3.5628 -2.1306 -2.1306 -0.2652 -0.2652 0.1079 0.1079 0.2856 0.2856 0.5327 0.5327 0.8131 0.8131 2.0226 2.0226 2.3446 2.3446 2.5163 2.5163 2.6121 2.6121 2.9749 2.9749 3.1405 3.1405 3.2143 3.2143 3.6734 3.6734 3.7447 3.7447 4.0331 4.0331 4.4765 4.4765 4.4899 4.4899 5.4700 5.4700 5.7675 5.7675 5.8896 5.8896 6.3578 6.3578 6.4546 6.4546 6.5244 6.5244 6.7681 6.7681 7.0506 7.0506 7.3037 7.3037 7.4545 7.4545 8.4379 8.4379 9.0126 9.0126 k = 0.6105-0.0973 0.4587 ( 7018 PWs) bands (ev): -10.1781 -10.1781 -9.1005 -9.1005 -7.5691 -7.5691 -7.4315 -7.4315 -7.2291 -7.2291 -7.1020 -7.1020 -3.5564 -3.5564 -2.1185 -2.1185 -0.2379 -0.2379 0.1047 0.1047 0.2576 0.2576 0.5336 0.5336 0.7787 0.7787 2.0494 2.0494 2.2992 2.2992 2.5215 2.5215 2.6434 2.6434 2.9674 2.9674 3.1451 3.1451 3.2206 3.2206 3.7134 3.7134 3.7540 3.7540 4.0188 4.0188 4.4842 4.4842 4.5070 4.5070 5.4505 5.4505 5.7679 5.7679 5.8693 5.8693 6.3634 6.3634 6.4545 6.4545 6.5250 6.5250 6.7631 6.7631 7.0744 7.0744 7.2838 7.2838 7.4671 7.4671 8.4001 8.4001 8.9995 8.9995 k = 0.6197-0.0813 0.4587 ( 7019 PWs) bands (ev): -10.1772 -10.1772 -9.0968 -9.0968 -7.5588 -7.5588 -7.4522 -7.4522 -7.2225 -7.2225 -7.1099 -7.1099 -3.5511 -3.5511 -2.1070 -2.1070 -0.2093 -0.2093 0.1004 0.1004 0.2292 0.2292 0.5390 0.5390 0.7435 0.7435 2.0773 2.0773 2.2557 2.2557 2.5265 2.5265 2.6750 2.6750 2.9583 2.9583 3.1472 3.1472 3.2280 3.2280 3.7515 3.7515 3.7623 3.7623 4.0056 4.0056 4.4803 4.4803 4.5325 4.5325 5.4321 5.4321 5.7691 5.7691 5.8493 5.8493 6.3690 6.3690 6.4539 6.4539 6.5260 6.5260 6.7578 6.7578 7.0984 7.0984 7.2639 7.2639 7.4798 7.4798 8.3654 8.3654 8.9890 8.9890 k = 0.7137 0.0816 0.1491 ( 7042 PWs) bands (ev): -10.1953 -10.1953 -9.0729 -9.0729 -7.5862 -7.5862 -7.4965 -7.4965 -7.1807 -7.1807 -7.0488 -7.0488 -3.5700 -3.5700 -2.1359 -2.1359 -0.2521 -0.2521 -0.1140 -0.1140 0.2603 0.2603 0.4751 0.4751 0.8032 0.8032 2.0004 2.0004 2.3839 2.3839 2.6609 2.6609 2.8310 2.8310 2.9851 2.9851 3.0862 3.0862 3.1566 3.1566 3.8717 3.8717 3.9330 3.9330 3.9864 3.9864 4.3876 4.3876 4.5211 4.5211 5.4782 5.4782 5.8166 5.8166 5.8378 5.8378 6.3485 6.3485 6.4431 6.4431 6.5291 6.5291 6.7804 6.7804 7.2584 7.2584 7.3564 7.3564 7.5573 7.5573 8.3975 8.3975 8.9660 8.9660 k = 0.7110 0.0769 0.1312 ( 7040 PWs) bands (ev): -10.1978 -10.1978 -9.0660 -9.0660 -7.5878 -7.5878 -7.5035 -7.5035 -7.1768 -7.1768 -7.0489 -7.0489 -3.5696 -3.5696 -2.1391 -2.1391 -0.2542 -0.2542 -0.1063 -0.1063 0.2439 0.2439 0.4924 0.4924 0.7884 0.7884 2.0251 2.0251 2.3570 2.3570 2.6721 2.6721 2.8654 2.8654 2.9708 2.9708 3.0773 3.0773 3.1308 3.1308 3.8892 3.8892 3.9355 3.9355 3.9926 3.9926 4.3813 4.3813 4.5349 4.5349 5.4783 5.4783 5.8164 5.8164 5.8369 5.8369 6.3501 6.3501 6.4384 6.4384 6.5300 6.5300 6.7968 6.7968 7.2505 7.2505 7.3557 7.3557 7.5459 7.5459 8.3785 8.3785 8.9694 8.9694 k = 0.7082 0.0721 0.1134 ( 7034 PWs) bands (ev): -10.2004 -10.2004 -9.0589 -9.0589 -7.5892 -7.5892 -7.5101 -7.5101 -7.1727 -7.1727 -7.0495 -7.0495 -3.5700 -3.5700 -2.1421 -2.1421 -0.2554 -0.2554 -0.0977 -0.0977 0.2264 0.2264 0.5099 0.5099 0.7742 0.7742 2.0495 2.0495 2.3285 2.3285 2.6850 2.6850 2.9008 2.9008 2.9573 2.9573 3.0687 3.0687 3.1056 3.1056 3.9057 3.9057 3.9372 3.9372 3.9984 3.9984 4.3751 4.3751 4.5485 4.5485 5.4779 5.4779 5.8160 5.8160 5.8360 5.8360 6.3519 6.3519 6.4340 6.4340 6.5309 6.5309 6.8132 6.8132 7.2404 7.2404 7.3535 7.3535 7.5339 7.5339 8.3592 8.3592 8.9731 8.9731 k = 0.7054 0.0673 0.0955 ( 7029 PWs) bands (ev): -10.2032 -10.2032 -9.0517 -9.0517 -7.5905 -7.5905 -7.5163 -7.5163 -7.1685 -7.1685 -7.0505 -7.0505 -3.5711 -3.5711 -2.1450 -2.1450 -0.2556 -0.2556 -0.0882 -0.0882 0.2080 0.2080 0.5275 0.5275 0.7608 0.7608 2.0725 2.0725 2.2987 2.2987 2.6998 2.6998 2.9355 2.9355 2.9456 2.9456 3.0581 3.0581 3.0845 3.0845 3.9199 3.9199 3.9388 3.9388 4.0034 4.0034 4.3693 4.3693 4.5617 4.5617 5.4770 5.4770 5.8154 5.8154 5.8350 5.8350 6.3539 6.3539 6.4301 6.4301 6.5319 6.5319 6.8294 6.8294 7.2284 7.2284 7.3493 7.3493 7.5220 7.5220 8.3396 8.3396 8.9769 8.9769 k = 0.7027 0.0625 0.0776 ( 7033 PWs) bands (ev): -10.2060 -10.2060 -9.0446 -9.0446 -7.5915 -7.5915 -7.5221 -7.5221 -7.1642 -7.1642 -7.0521 -7.0521 -3.5729 -3.5729 -2.1476 -2.1476 -0.2548 -0.2548 -0.0780 -0.0780 0.1889 0.1889 0.5451 0.5451 0.7482 0.7482 2.0931 2.0931 2.2681 2.2681 2.7163 2.7163 2.9329 2.9329 2.9690 2.9690 3.0446 3.0446 3.0721 3.0721 3.9298 3.9298 3.9416 3.9416 4.0075 4.0075 4.3640 4.3640 4.5744 4.5744 5.4755 5.4755 5.8146 5.8146 5.8340 5.8340 6.3560 6.3560 6.4267 6.4267 6.5328 6.5328 6.8448 6.8448 7.2151 7.2151 7.3426 7.3426 7.5107 7.5107 8.3197 8.3197 8.9808 8.9808 k = 0.6999 0.0577 0.0597 ( 7025 PWs) bands (ev): -10.2088 -10.2088 -9.0376 -9.0376 -7.5922 -7.5922 -7.5274 -7.5274 -7.1600 -7.1600 -7.0541 -7.0541 -3.5751 -3.5751 -2.1500 -2.1500 -0.2528 -0.2528 -0.0670 -0.0670 0.1694 0.1694 0.5625 0.5625 0.7364 0.7364 2.1105 2.1105 2.2372 2.2372 2.7343 2.7343 2.9227 2.9227 2.9837 2.9837 3.0425 3.0425 3.0690 3.0690 3.9337 3.9337 3.9470 3.9470 4.0105 4.0105 4.3596 4.3596 4.5865 4.5865 5.4735 5.4735 5.8136 5.8136 5.8329 5.8329 6.3583 6.3583 6.4240 6.4240 6.5338 6.5338 6.8590 6.8590 7.2012 7.2012 7.3333 7.3333 7.5009 7.5009 8.2998 8.2998 8.9849 8.9849 k = 0.6971 0.0529 0.0418 ( 7025 PWs) bands (ev): -10.2116 -10.2116 -9.0309 -9.0309 -7.5926 -7.5926 -7.5323 -7.5323 -7.1558 -7.1558 -7.0566 -7.0566 -3.5777 -3.5777 -2.1520 -2.1520 -0.2498 -0.2498 -0.0553 -0.0553 0.1500 0.1500 0.5797 0.5797 0.7255 0.7255 2.1241 2.1241 2.2065 2.2065 2.7535 2.7535 2.9133 2.9133 2.9723 2.9723 3.0498 3.0498 3.0861 3.0861 3.9345 3.9345 3.9518 3.9518 4.0125 4.0125 4.3560 4.3560 4.5980 4.5980 5.4708 5.4708 5.8124 5.8124 5.8317 5.8317 6.3604 6.3604 6.4222 6.4222 6.5348 6.5348 6.8712 6.8712 7.1877 7.1877 7.3211 7.3211 7.4929 7.4929 8.2798 8.2798 8.9889 8.9889 k = 0.6944 0.0481 0.0240 ( 7025 PWs) bands (ev): -10.2141 -10.2141 -9.0247 -9.0247 -7.5926 -7.5926 -7.5366 -7.5366 -7.1516 -7.1516 -7.0597 -7.0597 -3.5806 -3.5806 -2.1536 -2.1536 -0.2457 -0.2457 -0.0430 -0.0430 0.1309 0.1309 0.5964 0.5964 0.7155 0.7155 2.1333 2.1333 2.1767 2.1767 2.7734 2.7734 2.9046 2.9046 2.9533 2.9533 3.0491 3.0491 3.1224 3.1224 3.9343 3.9343 3.9538 3.9538 4.0135 4.0135 4.3534 4.3534 4.6087 4.6087 5.4676 5.4676 5.8110 5.8110 5.8303 5.8303 6.3624 6.3624 6.4213 6.4213 6.5358 6.5358 6.8806 6.8806 7.1759 7.1759 7.3063 7.3063 7.4867 7.4867 8.2600 8.2600 8.9929 8.9929 k = 0.6916 0.0433 0.0061 ( 7025 PWs) bands (ev): -10.2165 -10.2165 -9.0189 -9.0189 -7.5923 -7.5923 -7.5405 -7.5405 -7.1475 -7.1475 -7.0633 -7.0633 -3.5835 -3.5835 -2.1549 -2.1549 -0.2409 -0.2409 -0.0302 -0.0302 0.1124 0.1124 0.6126 0.6126 0.7063 0.7063 2.1354 2.1354 2.1511 2.1511 2.7933 2.7933 2.8965 2.8965 2.9347 2.9347 3.0469 3.0469 3.1636 3.1636 3.9336 3.9336 3.9525 3.9525 4.0136 4.0136 4.3517 4.3517 4.6186 4.6186 5.4637 5.4637 5.8094 5.8094 5.8287 5.8287 6.3643 6.3643 6.4214 6.4214 6.5369 6.5369 6.8860 6.8860 7.1671 7.1671 7.2895 7.2895 7.4822 7.4822 8.2405 8.2405 8.9967 8.9967 k = 0.6888 0.0385-0.0118 ( 7023 PWs) bands (ev): -10.2186 -10.2186 -9.0138 -9.0138 -7.5917 -7.5917 -7.5439 -7.5439 -7.1435 -7.1435 -7.0674 -7.0674 -3.5865 -3.5865 -2.1558 -2.1558 -0.2354 -0.2354 -0.0169 -0.0169 0.0949 0.0949 0.6281 0.6281 0.6978 0.6978 2.1161 2.1161 2.1443 2.1443 2.8119 2.8119 2.8889 2.8889 2.9188 2.9188 3.0450 3.0450 3.2055 3.2055 3.9325 3.9325 3.9484 3.9484 4.0128 4.0128 4.3507 4.3507 4.6275 4.6275 5.4592 5.4592 5.8077 5.8077 5.8269 5.8269 6.3662 6.3662 6.4225 6.4225 6.5379 6.5379 6.8869 6.8869 7.1625 7.1625 7.2710 7.2710 7.4792 7.4792 8.2214 8.2214 9.0002 9.0002 k = 0.6861 0.0337-0.0297 ( 7022 PWs) bands (ev): -10.2204 -10.2204 -9.0094 -9.0094 -7.5907 -7.5907 -7.5468 -7.5468 -7.1396 -7.1396 -7.0720 -7.0720 -3.5892 -3.5892 -2.1563 -2.1563 -0.2295 -0.2295 -0.0033 -0.0033 0.0787 0.0787 0.6427 0.6427 0.6901 0.6901 2.0908 2.0908 2.1417 2.1417 2.8274 2.8274 2.8817 2.8817 2.9078 2.9078 3.0435 3.0435 3.2466 3.2466 3.9304 3.9304 3.9426 3.9426 4.0111 4.0111 4.3502 4.3502 4.6354 4.6354 5.4542 5.4542 5.8058 5.8058 5.8250 5.8250 6.3679 6.3679 6.4245 6.4245 6.5388 6.5388 6.8827 6.8827 7.1626 7.1626 7.2515 7.2515 7.4772 7.4772 8.2032 8.2032 9.0034 9.0034 k = 0.6833 0.0289-0.0475 ( 7016 PWs) bands (ev): -10.2219 -10.2219 -9.0057 -9.0057 -7.5893 -7.5893 -7.5492 -7.5492 -7.1358 -7.1358 -7.0772 -7.0772 -3.5917 -3.5917 -2.1564 -2.1564 -0.2235 -0.2235 0.0106 0.0106 0.0644 0.0644 0.6562 0.6562 0.6831 0.6831 2.0670 2.0670 2.1367 2.1367 2.8364 2.8364 2.8752 2.8752 2.9043 2.9043 3.0428 3.0428 3.2852 3.2852 3.9255 3.9255 3.9378 3.9378 4.0087 4.0087 4.3500 4.3500 4.6422 4.6422 5.4488 5.4488 5.8038 5.8038 5.8229 5.8229 6.3697 6.3697 6.4273 6.4273 6.5398 6.5398 6.8741 6.8741 7.1675 7.1675 7.2317 7.2317 7.4761 7.4761 8.1860 8.1860 9.0060 9.0060 k = 0.6805 0.0241-0.0654 ( 7012 PWs) bands (ev): -10.2230 -10.2230 -9.0029 -9.0029 -7.5875 -7.5875 -7.5512 -7.5512 -7.1322 -7.1322 -7.0828 -7.0828 -3.5939 -3.5939 -2.1561 -2.1561 -0.2178 -0.2178 0.0247 0.0247 0.0521 0.0521 0.6684 0.6684 0.6768 0.6768 2.0452 2.0452 2.1293 2.1293 2.8371 2.8371 2.8692 2.8692 2.9103 2.9103 3.0427 3.0427 3.3198 3.3198 3.9174 3.9174 3.9355 3.9355 4.0055 4.0055 4.3499 4.3499 4.6478 4.6478 5.4430 5.4430 5.8017 5.8017 5.8206 5.8206 6.3717 6.3717 6.4307 6.4307 6.5406 6.5406 6.8619 6.8619 7.1761 7.1761 7.2119 7.2119 7.4756 7.4756 8.1703 8.1703 9.0080 9.0080 k = 0.6778 0.0193-0.0833 ( 7012 PWs) bands (ev): -10.2237 -10.2237 -9.0010 -9.0010 -7.5853 -7.5853 -7.5526 -7.5526 -7.1288 -7.1288 -7.0890 -7.0890 -3.5956 -3.5956 -2.1554 -2.1554 -0.2126 -0.2126 0.0384 0.0384 0.0429 0.0429 0.6698 0.6698 0.6805 0.6805 2.0260 2.0260 2.1203 2.1203 2.8328 2.8328 2.8631 2.8631 2.9226 2.9226 3.0435 3.0435 3.3484 3.3484 3.9085 3.9085 3.9346 3.9346 4.0015 4.0015 4.3497 4.3497 4.6524 4.6524 5.4369 5.4369 5.7995 5.7995 5.8182 5.8182 6.3739 6.3739 6.4346 6.4346 6.5414 6.5414 6.8474 6.8474 7.1874 7.1874 7.1926 7.1926 7.4754 7.4754 8.1562 8.1562 9.0093 9.0093 k = 0.6750 0.0145-0.1012 ( 7010 PWs) bands (ev): -10.2239 -10.2239 -8.9999 -8.9999 -7.5828 -7.5828 -7.5536 -7.5536 -7.1256 -7.1256 -7.0955 -7.0955 -3.5967 -3.5967 -2.1543 -2.1543 -0.2085 -0.2085 0.0354 0.0354 0.0533 0.0533 0.6640 0.6640 0.6904 0.6904 2.0093 2.0093 2.1100 2.1100 2.8270 2.8270 2.8567 2.8567 2.9374 2.9374 3.0451 3.0451 3.3692 3.3692 3.9011 3.9011 3.9343 3.9343 3.9968 3.9968 4.3495 4.3495 4.6557 4.6557 5.4307 5.4307 5.7974 5.7974 5.8158 5.8158 6.3763 6.3763 6.4387 6.4387 6.5421 6.5421 6.8317 6.8317 7.1737 7.1737 7.2004 7.2004 7.4756 7.4756 8.1443 8.1443 9.0098 9.0098 k = 0.6722 0.0098-0.1190 ( 7011 PWs) bands (ev): -10.2238 -10.2238 -8.9998 -8.9998 -7.5799 -7.5799 -7.5542 -7.5542 -7.1225 -7.1225 -7.1025 -7.1025 -3.5973 -3.5973 -2.1529 -2.1529 -0.2057 -0.2057 0.0317 0.0317 0.0673 0.0673 0.6582 0.6582 0.6991 0.6991 1.9954 1.9954 2.0993 2.0993 2.8214 2.8214 2.8501 2.8501 2.9527 2.9527 3.0476 3.0476 3.3805 3.3805 3.8967 3.8967 3.9345 3.9345 3.9914 3.9914 4.3492 4.3492 4.6579 4.6579 5.4246 5.4246 5.7953 5.7953 5.8132 5.8132 6.3789 6.3789 6.4430 6.4430 6.5426 6.5426 6.8160 6.8160 7.1561 7.1561 7.2137 7.2137 7.4759 7.4759 8.1349 8.1349 9.0094 9.0094 k = 0.6695 0.0050-0.1369 ( 7005 PWs) bands (ev): -10.2232 -10.2232 -9.0007 -9.0007 -7.5766 -7.5766 -7.5544 -7.5544 -7.1197 -7.1197 -7.1097 -7.1097 -3.5973 -3.5973 -2.1512 -2.1512 -0.2042 -0.2042 0.0310 0.0310 0.0812 0.0812 0.6524 0.6524 0.7065 0.7065 1.9843 1.9843 2.0888 2.0888 2.8164 2.8164 2.8435 2.8435 2.9675 2.9675 3.0510 3.0510 3.3811 3.3811 3.8960 3.8960 3.9350 3.9350 3.9852 3.9852 4.3491 4.3491 4.6589 4.6589 5.4187 5.4187 5.7933 5.7933 5.8107 5.8107 6.3818 6.3818 6.4474 6.4474 6.5429 6.5429 6.8008 6.8008 7.1397 7.1397 7.2265 7.2265 7.4763 7.4763 8.1281 8.1281 9.0084 9.0084 k = 0.6667 0.0002-0.1548 ( 7007 PWs) bands (ev): -10.2222 -10.2222 -9.0024 -9.0024 -7.5729 -7.5729 -7.5542 -7.5542 -7.1190 -7.1190 -7.1155 -7.1155 -3.5966 -3.5966 -2.1492 -2.1492 -0.2041 -0.2041 0.0333 0.0333 0.0949 0.0949 0.6464 0.6464 0.7125 0.7125 1.9760 1.9760 2.0790 2.0790 2.8120 2.8120 2.8369 2.8369 2.9816 2.9816 3.0555 3.0555 3.3709 3.3709 3.8990 3.8990 3.9357 3.9357 3.9783 3.9783 4.3494 4.3494 4.6588 4.6588 5.4132 5.4132 5.7915 5.7915 5.8083 5.8083 6.3847 6.3847 6.4516 6.4516 6.5430 6.5430 6.7868 6.7868 7.1248 7.1248 7.2381 7.2381 7.4768 7.4768 8.1243 8.1243 9.0068 9.0068 k = 0.6667 0.0002-0.1548 ( 7007 PWs) bands (ev): -10.2222 -10.2222 -9.0024 -9.0024 -7.5729 -7.5729 -7.5542 -7.5542 -7.1190 -7.1190 -7.1155 -7.1155 -3.5966 -3.5966 -2.1492 -2.1492 -0.2041 -0.2041 0.0333 0.0333 0.0949 0.0949 0.6464 0.6464 0.7125 0.7125 1.9760 1.9760 2.0790 2.0790 2.8120 2.8120 2.8369 2.8369 2.9816 2.9816 3.0555 3.0555 3.3709 3.3709 3.8990 3.8990 3.9357 3.9357 3.9783 3.9783 4.3494 4.3494 4.6588 4.6588 5.4132 5.4132 5.7915 5.7915 5.8083 5.8083 6.3847 6.3847 6.4516 6.4516 6.5430 6.5430 6.7868 6.7868 7.1248 7.1248 7.2381 7.2381 7.4768 7.4768 8.1243 8.1243 9.0068 9.0068 k = 0.6584-0.0143-0.1471 ( 7001 PWs) bands (ev): -10.2228 -10.2228 -9.0019 -9.0019 -7.5710 -7.5710 -7.5579 -7.5579 -7.1200 -7.1200 -7.1108 -7.1108 -3.5980 -3.5980 -2.1498 -2.1498 -0.2149 -0.2149 0.0232 0.0232 0.1087 0.1087 0.6092 0.6092 0.7501 0.7501 1.9456 1.9456 2.1155 2.1155 2.8111 2.8111 2.8359 2.8359 2.9992 2.9992 3.0345 3.0345 3.3836 3.3836 3.8801 3.8801 3.9343 3.9343 4.0071 4.0071 4.3448 4.3448 4.6558 4.6558 5.4170 5.4170 5.7934 5.7934 5.8049 5.8049 6.3843 6.3843 6.4536 6.4536 6.5430 6.5430 6.7875 6.7875 7.0998 7.0998 7.2740 7.2740 7.4813 7.4813 8.1277 8.1277 9.0085 9.0085 k = 0.6500-0.0287-0.1393 ( 7000 PWs) bands (ev): -10.2239 -10.2239 -9.0016 -9.0016 -7.5869 -7.5869 -7.5420 -7.5420 -7.1217 -7.1217 -7.1049 -7.1049 -3.6016 -3.6016 -2.1512 -2.1512 -0.2325 -0.2325 0.0189 0.0189 0.1226 0.1226 0.5760 0.5760 0.7878 0.7878 1.9170 1.9170 2.1551 2.1551 2.7956 2.7956 2.8468 2.8468 3.0055 3.0055 3.0226 3.0226 3.3958 3.3958 3.8614 3.8614 3.9307 3.9307 4.0382 4.0382 4.3396 4.3396 4.6469 4.6469 5.4227 5.4227 5.7882 5.7882 5.8115 5.8115 6.3830 6.3830 6.4553 6.4553 6.5427 6.5427 6.7893 6.7893 7.0739 7.0739 7.3092 7.3092 7.4856 7.4856 8.1376 8.1376 9.0116 9.0116 k = 0.6417-0.0431-0.1316 ( 7001 PWs) bands (ev): -10.2254 -10.2254 -9.0016 -9.0016 -7.6023 -7.6023 -7.5248 -7.5248 -7.1232 -7.1232 -7.0987 -7.0987 -3.6071 -3.6071 -2.1536 -2.1536 -0.2551 -0.2551 0.0187 0.0187 0.1364 0.1364 0.5471 0.5471 0.8254 0.8254 1.8904 1.8904 2.1971 2.1971 2.7783 2.7783 2.8567 2.8567 2.9880 2.9880 3.0323 3.0323 3.4074 3.4074 3.8432 3.8432 3.9266 3.9266 4.0698 4.0698 4.3339 4.3339 4.6324 4.6324 5.4300 5.4300 5.7813 5.7813 5.8220 5.8220 6.3810 6.3810 6.4568 6.4568 6.5421 6.5421 6.7921 6.7921 7.0472 7.0472 7.3430 7.3430 7.4896 7.4896 8.1541 8.1541 9.0157 9.0157 k = 0.6334-0.0576-0.1238 ( 6997 PWs) bands (ev): -10.2272 -10.2272 -9.0017 -9.0017 -7.6171 -7.6171 -7.5067 -7.5067 -7.1247 -7.1247 -7.0923 -7.0923 -3.6146 -3.6146 -2.1569 -2.1569 -0.2807 -0.2807 0.0208 0.0208 0.1500 0.1500 0.5228 0.5228 0.8629 0.8629 1.8658 1.8658 2.2410 2.2410 2.7609 2.7609 2.8642 2.8642 2.9677 2.9677 3.0432 3.0432 3.4178 3.4178 3.8256 3.8256 3.9226 3.9226 4.1012 4.1012 4.3278 4.3278 4.6130 4.6130 5.4388 5.4388 5.7749 5.7749 5.8344 5.8344 6.3780 6.3780 6.4580 6.4580 6.5411 6.5411 6.7960 6.7960 7.0200 7.0200 7.3748 7.3748 7.4936 7.4936 8.1772 8.1772 9.0204 9.0204 k = 0.6250-0.0720-0.1161 ( 7006 PWs) bands (ev): -10.2293 -10.2293 -9.0020 -9.0020 -7.6312 -7.6312 -7.4878 -7.4878 -7.1261 -7.1261 -7.0859 -7.0859 -3.6237 -3.6237 -2.1609 -2.1609 -0.3080 -0.3080 0.0241 0.0241 0.1632 0.1632 0.5032 0.5032 0.9000 0.9000 1.8432 1.8432 2.2865 2.2865 2.7437 2.7437 2.8689 2.8689 2.9472 2.9472 3.0526 3.0526 3.4269 3.4269 3.8086 3.8086 3.9191 3.9191 4.1320 4.1320 4.3212 4.3212 4.5893 4.5893 5.4486 5.4486 5.7695 5.7695 5.8479 5.8479 6.3741 6.3741 6.4590 6.4590 6.5398 6.5398 6.8010 6.8010 6.9926 6.9926 7.4042 7.4042 7.4977 7.4977 8.2067 8.2067 9.0248 9.0248 k = 0.6167-0.0865-0.1084 ( 7010 PWs) bands (ev): -10.2316 -10.2316 -9.0024 -9.0024 -7.6447 -7.6447 -7.4684 -7.4684 -7.1273 -7.1273 -7.0795 -7.0795 -3.6342 -3.6342 -2.1655 -2.1655 -0.3357 -0.3357 0.0275 0.0275 0.1759 0.1759 0.4881 0.4881 0.9366 0.9366 1.8227 1.8227 2.3328 2.3328 2.7270 2.7270 2.8710 2.8710 2.9270 2.9270 3.0609 3.0609 3.4345 3.4345 3.7921 3.7921 3.9163 3.9163 4.1620 4.1620 4.3140 4.3140 4.5622 4.5622 5.4591 5.4591 5.7655 5.7655 5.8619 5.8619 6.3691 6.3691 6.4598 6.4598 6.5383 6.5383 6.8069 6.8069 6.9652 6.9652 7.4309 7.4309 7.5021 7.5021 8.2424 8.2424 9.0278 9.0278 k = 0.6084-0.1009-0.1006 ( 7016 PWs) bands (ev): -10.2341 -10.2341 -9.0029 -9.0029 -7.6573 -7.6573 -7.4487 -7.4487 -7.1284 -7.1284 -7.0732 -7.0732 -3.6459 -3.6459 -2.1707 -2.1707 -0.3633 -0.3633 0.0307 0.0307 0.1881 0.1881 0.4772 0.4772 0.9725 0.9725 1.8040 1.8040 2.3794 2.3794 2.7110 2.7110 2.8707 2.8707 2.9071 2.9071 3.0683 3.0683 3.4405 3.4405 3.7762 3.7762 3.9145 3.9145 4.1910 4.1910 4.3061 4.3061 4.5322 4.5322 5.4699 5.4699 5.7634 5.7634 5.8762 5.8762 6.3631 6.3631 6.4605 6.4605 6.5365 6.5365 6.8138 6.8138 6.9380 6.9380 7.4546 7.4546 7.5068 7.5068 8.2836 8.2836 9.0279 9.0279 k = 0.6000-0.1153-0.0929 ( 7015 PWs) bands (ev): -10.2367 -10.2367 -9.0035 -9.0035 -7.6692 -7.6692 -7.4289 -7.4289 -7.1294 -7.1294 -7.0672 -7.0672 -3.6584 -3.6584 -2.1764 -2.1764 -0.3900 -0.3900 0.0336 0.0336 0.1996 0.1996 0.4702 0.4702 1.0075 1.0075 1.7873 1.7873 2.4254 2.4254 2.6959 2.6959 2.8684 2.8684 2.8878 2.8878 3.0753 3.0753 3.4448 3.4448 3.7608 3.7608 3.9138 3.9138 4.2184 4.2184 4.2975 4.2975 4.5001 4.5001 5.4803 5.4803 5.7634 5.7634 5.8902 5.8902 6.3561 6.3561 6.4610 6.4610 6.5346 6.5346 6.8215 6.8215 6.9115 6.9115 7.4754 7.4754 7.5119 7.5119 8.3297 8.3297 9.0246 9.0246 k = 0.5917-0.1298-0.0851 ( 7017 PWs) bands (ev): -10.2393 -10.2393 -9.0041 -9.0041 -7.6802 -7.6802 -7.4093 -7.4093 -7.1303 -7.1303 -7.0616 -7.0616 -3.6715 -3.6715 -2.1823 -2.1823 -0.4156 -0.4156 0.0361 0.0361 0.2103 0.2103 0.4664 0.4664 1.0415 1.0415 1.7722 1.7722 2.4701 2.4701 2.6820 2.6820 2.8627 2.8627 2.8708 2.8708 3.0825 3.0825 3.4473 3.4473 3.7460 3.7460 3.9145 3.9145 4.2437 4.2437 4.2882 4.2882 4.4668 4.4668 5.4899 5.4899 5.7660 5.7660 5.9039 5.9039 6.3481 6.3481 6.4615 6.4615 6.5325 6.5325 6.8296 6.8296 6.8860 6.8860 7.4932 7.4932 7.5174 7.5174 8.3796 8.3796 9.0187 9.0187 k = 0.5833-0.1442-0.0774 ( 7017 PWs) bands (ev): -10.2419 -10.2419 -9.0048 -9.0048 -7.6904 -7.6904 -7.3901 -7.3901 -7.1311 -7.1311 -7.0563 -7.0563 -3.6848 -3.6848 -2.1884 -2.1884 -0.4397 -0.4397 0.0384 0.0384 0.2202 0.2202 0.4652 0.4652 1.0742 1.0742 1.7588 1.7588 2.5123 2.5123 2.6693 2.6693 2.8473 2.8473 2.8634 2.8634 3.0904 3.0904 3.4479 3.4479 3.7318 3.7318 3.9167 3.9167 4.2642 4.2642 4.2804 4.2804 4.4334 4.4334 5.4981 5.4981 5.7712 5.7712 5.9169 5.9169 6.3393 6.3393 6.4619 6.4619 6.5303 6.5303 6.8374 6.8374 6.8623 6.8623 7.5080 7.5080 7.5233 7.5233 8.4322 8.4322 9.0120 9.0120 k = 0.5750-0.1587-0.0697 ( 7015 PWs) bands (ev): -10.2444 -10.2444 -9.0055 -9.0055 -7.6997 -7.6997 -7.3716 -7.3716 -7.1318 -7.1318 -7.0515 -7.0515 -3.6980 -3.6980 -2.1945 -2.1945 -0.4620 -0.4620 0.0405 0.0405 0.2291 0.2291 0.4661 0.4661 1.1053 1.1053 1.7468 1.7468 2.5509 2.5509 2.6582 2.6582 2.8291 2.8291 2.8594 2.8594 3.0996 3.0996 3.4465 3.4465 3.7184 3.7184 3.9206 3.9206 4.2630 4.2630 4.2893 4.2893 4.4018 4.4018 5.5047 5.5047 5.7790 5.7790 5.9291 5.9291 6.3299 6.3299 6.4623 6.4623 6.5280 6.5280 6.8342 6.8342 6.8514 6.8514 7.5199 7.5199 7.5299 7.5299 8.4864 8.4864 9.0058 9.0058 k = 0.5667-0.1731-0.0619 ( 7015 PWs) bands (ev): -10.2468 -10.2468 -9.0061 -9.0061 -7.7081 -7.7081 -7.3541 -7.3541 -7.1325 -7.1325 -7.0472 -7.0472 -3.7109 -3.7109 -2.2004 -2.2004 -0.4826 -0.4826 0.0425 0.0425 0.2372 0.2372 0.4683 0.4683 1.1347 1.1347 1.7360 1.7360 2.5846 2.5846 2.6487 2.6487 2.8112 2.8112 2.8571 2.8571 3.1107 3.1107 3.4429 3.4429 3.7058 3.7058 3.9263 3.9263 4.2520 4.2520 4.2986 4.2986 4.3771 4.3771 5.5097 5.5097 5.7891 5.7891 5.9403 5.9403 6.3199 6.3199 6.4627 6.4627 6.5258 6.5258 6.8145 6.8145 6.8586 6.8586 7.5287 7.5287 7.5373 7.5373 8.5409 8.5409 9.0009 9.0009 k = 0.5583-0.1875-0.0542 ( 7018 PWs) bands (ev): -10.2490 -10.2490 -9.0068 -9.0068 -7.7155 -7.7155 -7.3378 -7.3378 -7.1330 -7.1330 -7.0434 -7.0434 -3.7230 -3.7230 -2.2061 -2.2061 -0.5010 -0.5010 0.0445 0.0445 0.2443 0.2443 0.4715 0.4715 1.1619 1.1619 1.7265 1.7265 2.6122 2.6122 2.6412 2.6412 2.7938 2.7938 2.8567 2.8567 3.1243 3.1243 3.4368 3.4368 3.6943 3.6943 3.9339 3.9339 4.2400 4.2400 4.2904 4.2904 4.3690 4.3690 5.5131 5.5131 5.8009 5.8009 5.9504 5.9504 6.3096 6.3096 6.4632 6.4632 6.5236 6.5236 6.7951 6.7951 6.8672 6.8672 7.5353 7.5353 7.5448 7.5448 8.5945 8.5945 8.9980 8.9980 k = 0.5500-0.2020-0.0464 ( 7027 PWs) bands (ev): -10.2510 -10.2510 -9.0074 -9.0074 -7.7220 -7.7220 -7.3230 -7.3230 -7.1335 -7.1335 -7.0402 -7.0402 -3.7342 -3.7342 -2.2113 -2.2113 -0.5172 -0.5172 0.0465 0.0465 0.2504 0.2504 0.4752 0.4752 1.1868 1.1868 1.7181 1.7181 2.6301 2.6301 2.6385 2.6385 2.7772 2.7772 2.8586 2.8586 3.1408 3.1408 3.4281 3.4281 3.6841 3.6841 3.9434 3.9434 4.2281 4.2281 4.2664 4.2664 4.3756 4.3756 5.5151 5.5151 5.8136 5.8136 5.9593 5.9593 6.2993 6.2993 6.4636 6.4636 6.5214 6.5214 6.7776 6.7776 6.8755 6.8755 7.5407 7.5407 7.5514 7.5514 8.6458 8.6458 8.9971 8.9971 k = 0.5417-0.2164-0.0387 ( 7033 PWs) bands (ev): -10.2528 -10.2528 -9.0079 -9.0079 -7.7275 -7.7275 -7.3099 -7.3099 -7.1339 -7.1339 -7.0376 -7.0376 -3.7442 -3.7442 -2.2159 -2.2159 -0.5312 -0.5312 0.0483 0.0483 0.2555 0.2555 0.4789 0.4789 1.2088 1.2088 1.7107 1.7107 2.6292 2.6292 2.6500 2.6500 2.7617 2.7617 2.8623 2.8623 3.1604 3.1604 3.4166 3.4166 3.6753 3.6753 3.9546 3.9546 4.2165 4.2165 4.2373 4.2373 4.3864 4.3864 5.5162 5.5162 5.8263 5.8263 5.9671 5.9671 6.2894 6.2894 6.4640 6.4640 6.5195 6.5195 6.7623 6.7623 6.8831 6.8831 7.5453 7.5453 7.5569 7.5569 8.6934 8.6934 8.9985 8.9985 k = 0.5333-0.2309-0.0310 ( 7036 PWs) bands (ev): -10.2543 -10.2543 -9.0083 -9.0083 -7.7320 -7.7320 -7.2988 -7.2988 -7.1342 -7.1342 -7.0355 -7.0355 -3.7527 -3.7527 -2.2199 -2.2199 -0.5427 -0.5427 0.0500 0.0500 0.2597 0.2597 0.4824 0.4824 1.2276 1.2276 1.7044 1.7044 2.6267 2.6267 2.6594 2.6594 2.7477 2.7477 2.8671 2.8671 3.1826 3.1826 3.4023 3.4023 3.6681 3.6681 3.9674 3.9674 4.2040 4.2040 4.2102 4.2102 4.3970 4.3970 5.5166 5.5166 5.8383 5.8383 5.9736 5.9736 6.2804 6.2804 6.4644 6.4644 6.5177 6.5177 6.7496 6.7496 6.8897 6.8897 7.5491 7.5491 7.5613 7.5613 8.7360 8.7360 9.0022 9.0022 k = 0.5250-0.2453-0.0232 ( 7042 PWs) bands (ev): -10.2555 -10.2555 -9.0087 -9.0087 -7.7356 -7.7356 -7.2899 -7.2899 -7.1344 -7.1344 -7.0339 -7.0339 -3.7595 -3.7595 -2.2230 -2.2230 -0.5517 -0.5517 0.0515 0.0515 0.2629 0.2629 0.4853 0.4853 1.2427 1.2427 1.6993 1.6993 2.6253 2.6253 2.6653 2.6653 2.7356 2.7356 2.8718 2.8718 3.2065 3.2065 3.3857 3.3857 3.6624 3.6624 3.9811 3.9811 4.1794 4.1794 4.1988 4.1988 4.4058 4.4058 5.5167 5.5167 5.8487 5.8487 5.9787 5.9787 6.2726 6.2726 6.4648 6.4648 6.5162 6.5162 6.7395 6.7395 6.8951 6.8951 7.5522 7.5522 7.5645 7.5645 8.7718 8.7718 9.0083 9.0083 k = 0.5167-0.2597-0.0155 ( 7040 PWs) bands (ev): -10.2563 -10.2563 -9.0089 -9.0089 -7.7381 -7.7381 -7.2834 -7.2834 -7.1346 -7.1346 -7.0329 -7.0329 -3.7645 -3.7645 -2.2254 -2.2254 -0.5582 -0.5582 0.0526 0.0526 0.2652 0.2652 0.4876 0.4876 1.2539 1.2539 1.6955 1.6955 2.6248 2.6248 2.6687 2.6687 2.7261 2.7261 2.8757 2.8757 3.2302 3.2302 3.3678 3.3678 3.6585 3.6585 3.9944 3.9944 4.1561 4.1561 4.1921 4.1921 4.4124 4.4124 5.5166 5.5166 5.8567 5.8567 5.9825 5.9825 6.2666 6.2666 6.4651 6.4651 6.5152 6.5152 6.7322 6.7322 6.8991 6.8991 7.5544 7.5544 7.5668 7.5668 8.7993 8.7993 9.0170 9.0170 k = 0.5083-0.2742-0.0077 ( 7040 PWs) bands (ev): -10.2569 -10.2569 -9.0091 -9.0091 -7.7396 -7.7396 -7.2795 -7.2795 -7.1347 -7.1347 -7.0322 -7.0322 -3.7676 -3.7676 -2.2268 -2.2268 -0.5621 -0.5621 0.0533 0.0533 0.2666 0.2666 0.4890 0.4890 1.2608 1.2608 1.6932 1.6932 2.6248 2.6248 2.6705 2.6705 2.7198 2.7198 2.8781 2.8781 3.2502 3.2502 3.3517 3.3517 3.6561 3.6561 4.0050 4.0050 4.1393 4.1393 4.1880 4.1880 4.4165 4.4165 5.5164 5.5164 5.8618 5.8618 5.9849 5.9849 6.2628 6.2628 6.4653 6.4653 6.5145 6.5145 6.7278 6.7278 6.9016 6.9016 7.5557 7.5557 7.5682 7.5682 8.8166 8.8166 9.0273 9.0273 k = 0.5000-0.2886-0.0000 ( 7046 PWs) bands (ev): -10.2570 -10.2570 -9.0091 -9.0091 -7.7401 -7.7401 -7.2781 -7.2781 -7.1347 -7.1347 -7.0320 -7.0320 -3.7686 -3.7686 -2.2273 -2.2273 -0.5634 -0.5634 0.0535 0.0535 0.2671 0.2671 0.4894 0.4894 1.2631 1.2631 1.6924 1.6924 2.6248 2.6248 2.6711 2.6711 2.7176 2.7176 2.8790 2.8790 3.2588 3.2588 3.3444 3.3444 3.6553 3.6553 4.0092 4.0092 4.1330 4.1330 4.1866 4.1866 4.4178 4.4178 5.5163 5.5163 5.8635 5.8635 5.9857 5.9857 6.2615 6.2615 6.4654 6.4654 6.5142 6.5142 6.7263 6.7263 6.9024 6.9024 7.5562 7.5562 7.5686 7.5686 8.8226 8.8226 9.0336 9.0336 k = 0.5000-0.2886-0.0000 ( 7046 PWs) bands (ev): -10.2570 -10.2570 -9.0091 -9.0091 -7.7401 -7.7401 -7.2781 -7.2781 -7.1347 -7.1347 -7.0320 -7.0320 -3.7686 -3.7686 -2.2273 -2.2273 -0.5634 -0.5634 0.0535 0.0535 0.2671 0.2671 0.4894 0.4894 1.2631 1.2631 1.6924 1.6924 2.6248 2.6248 2.6711 2.6711 2.7176 2.7176 2.8790 2.8790 3.2588 3.2588 3.3444 3.3444 3.6553 3.6553 4.0092 4.0092 4.1330 4.1330 4.1866 4.1866 4.4178 4.4178 5.5163 5.5163 5.8635 5.8635 5.9857 5.9857 6.2615 6.2615 6.4654 6.4654 6.5142 6.5142 6.7263 6.7263 6.9024 6.9024 7.5562 7.5562 7.5686 7.5686 8.8226 8.8226 9.0336 9.0336 k = 0.4839-0.2793-0.0000 ( 7041 PWs) bands (ev): -10.2576 -10.2576 -9.0096 -9.0096 -7.7387 -7.7387 -7.2778 -7.2778 -7.1340 -7.1340 -7.0317 -7.0317 -3.7701 -3.7701 -2.2281 -2.2281 -0.5640 -0.5640 0.0527 0.0527 0.2631 0.2631 0.4895 0.4895 1.2619 1.2619 1.6976 1.6976 2.6233 2.6233 2.6654 2.6654 2.7256 2.7256 2.8824 2.8824 3.2598 3.2598 3.3452 3.3452 3.6549 3.6549 4.0098 4.0098 4.1262 4.1262 4.1874 4.1874 4.4165 4.4165 5.5192 5.5192 5.8640 5.8640 5.9856 5.9856 6.2619 6.2619 6.4650 6.4650 6.5139 6.5139 6.7269 6.7269 6.9019 6.9019 7.5553 7.5553 7.5680 7.5680 8.8267 8.8267 9.0341 9.0341 k = 0.4677-0.2700-0.0000 ( 7037 PWs) bands (ev): -10.2593 -10.2593 -9.0110 -9.0110 -7.7343 -7.7343 -7.2770 -7.2770 -7.1316 -7.1316 -7.0307 -7.0307 -3.7747 -3.7747 -2.2307 -2.2307 -0.5656 -0.5656 0.0504 0.0504 0.2518 0.2518 0.4896 0.4896 1.2581 1.2581 1.7130 1.7130 2.6196 2.6196 2.6552 2.6552 2.7426 2.7426 2.8921 2.8921 3.2628 3.2628 3.3475 3.3475 3.6535 3.6535 4.0115 4.0115 4.1077 4.1077 4.1881 4.1881 4.4125 4.4125 5.5277 5.5277 5.8653 5.8653 5.9854 5.9854 6.2629 6.2629 6.4639 6.4639 6.5127 6.5127 6.7287 6.7287 6.9003 6.9003 7.5527 7.5527 7.5663 7.5663 8.8390 8.8390 9.0352 9.0352 k = 0.4516-0.2607-0.0000 ( 7031 PWs) bands (ev): -10.2622 -10.2622 -9.0134 -9.0134 -7.7271 -7.7271 -7.2755 -7.2755 -7.1278 -7.1278 -7.0291 -7.0291 -3.7823 -3.7823 -2.2349 -2.2349 -0.5683 -0.5683 0.0468 0.0468 0.2343 0.2343 0.4891 0.4891 1.2515 1.2515 1.7376 1.7376 2.6155 2.6155 2.6467 2.6467 2.7623 2.7623 2.9066 2.9066 3.2677 3.2677 3.3514 3.3514 3.6513 3.6513 4.0144 4.0144 4.0804 4.0804 4.1865 4.1865 4.4060 4.4060 5.5412 5.5412 5.8675 5.8675 5.9851 5.9851 6.2647 6.2647 6.4621 6.4621 6.5109 6.5109 6.7319 6.7319 6.8977 6.8977 7.5484 7.5484 7.5636 7.5636 8.8586 8.8586 9.0367 9.0367 k = 0.4355-0.2514-0.0000 ( 7031 PWs) bands (ev): -10.2661 -10.2661 -9.0166 -9.0166 -7.7172 -7.7172 -7.2735 -7.2735 -7.1226 -7.1226 -7.0269 -7.0269 -3.7929 -3.7929 -2.2407 -2.2407 -0.5722 -0.5722 0.0419 0.0419 0.2123 0.2123 0.4872 0.4872 1.2418 1.2418 1.7700 1.7700 2.6133 2.6133 2.6428 2.6428 2.7819 2.7819 2.9238 2.9238 3.2742 3.2742 3.3568 3.3568 3.6484 3.6484 4.0184 4.0184 4.0463 4.0463 4.1818 4.1818 4.3972 4.3972 5.5593 5.5593 5.8706 5.8706 5.9847 5.9847 6.2670 6.2670 6.4595 6.4595 6.5085 6.5085 6.7362 6.7362 6.8938 6.8938 7.5429 7.5429 7.5600 7.5600 8.8845 8.8845 9.0377 9.0377 k = 0.4194-0.2421-0.0000 ( 7033 PWs) bands (ev): -10.2710 -10.2710 -9.0207 -9.0207 -7.7045 -7.7045 -7.2709 -7.2709 -7.1159 -7.1159 -7.0241 -7.0241 -3.8064 -3.8064 -2.2481 -2.2481 -0.5774 -0.5774 0.0361 0.0361 0.1873 0.1873 0.4834 0.4834 1.2284 1.2284 1.8086 1.8086 2.6148 2.6148 2.6448 2.6448 2.8002 2.8002 2.9423 2.9423 3.2820 3.2820 3.3636 3.3636 3.6448 3.6448 4.0066 4.0066 4.0244 4.0244 4.1739 4.1739 4.3864 4.3864 5.5809 5.5809 5.8744 5.8744 5.9842 5.9842 6.2699 6.2699 6.4563 6.4563 6.5057 6.5057 6.7419 6.7419 6.8888 6.8888 7.5365 7.5365 7.5555 7.5555 8.9151 8.9151 9.0378 9.0378 k = 0.4032-0.2328-0.0000 ( 7033 PWs) bands (ev): -10.2769 -10.2769 -9.0256 -9.0256 -7.6893 -7.6893 -7.2677 -7.2677 -7.1081 -7.1081 -7.0207 -7.0207 -3.8227 -3.8227 -2.2568 -2.2568 -0.5838 -0.5838 0.0296 0.0296 0.1608 0.1608 0.4774 0.4774 1.2112 1.2112 1.8514 1.8514 2.6212 2.6212 2.6541 2.6541 2.8160 2.8160 2.9607 2.9607 3.2906 3.2906 3.3716 3.3716 3.6405 3.6405 3.9637 3.9637 4.0314 4.0314 4.1631 4.1631 4.3738 4.3738 5.6054 5.6054 5.8788 5.8788 5.9837 5.9837 6.2732 6.2732 6.4524 6.4524 6.5026 6.5026 6.7490 6.7490 6.8827 6.8827 7.5298 7.5298 7.5501 7.5501 8.9481 8.9481 9.0362 9.0362 k = 0.3871-0.2234-0.0000 ( 7033 PWs) bands (ev): -10.2836 -10.2836 -9.0312 -9.0312 -7.6716 -7.6716 -7.2639 -7.2639 -7.0991 -7.0991 -7.0167 -7.0167 -3.8416 -3.8416 -2.2670 -2.2670 -0.5917 -0.5917 0.0227 0.0227 0.1344 0.1344 0.4689 0.4689 1.1899 1.1899 1.8967 1.8967 2.6334 2.6334 2.6715 2.6715 2.8286 2.8286 2.9784 2.9784 3.2995 3.2995 3.3807 3.3807 3.6358 3.6358 3.9187 3.9187 4.0404 4.0404 4.1494 4.1494 4.3598 4.3598 5.6318 5.6318 5.8838 5.8838 5.9832 5.9832 6.2769 6.2769 6.4480 6.4480 6.4994 6.4994 6.7575 6.7575 6.8757 6.8757 7.5231 7.5231 7.5436 7.5436 8.9803 8.9803 9.0329 9.0329 k = 0.3710-0.2141-0.0000 ( 7023 PWs) bands (ev): -10.2911 -10.2911 -9.0375 -9.0375 -7.6516 -7.6516 -7.2596 -7.2596 -7.0892 -7.0892 -7.0123 -7.0123 -3.8630 -3.8630 -2.2782 -2.2782 -0.6011 -0.6011 0.0157 0.0157 0.1089 0.1089 0.4578 0.4578 1.1644 1.1644 1.9428 1.9428 2.6512 2.6512 2.6973 2.6973 2.8382 2.8382 2.9949 2.9949 3.3080 3.3080 3.3906 3.3906 3.6306 3.6306 3.8734 3.8734 4.0514 4.0514 4.1333 4.1333 4.3447 4.3447 5.6596 5.6596 5.8893 5.8893 5.9828 5.9828 6.2809 6.2809 6.4430 6.4430 6.4963 6.4963 6.7674 6.7674 6.8680 6.8680 7.5166 7.5166 7.5361 7.5361 9.0074 9.0074 9.0281 9.0281 k = 0.3548-0.2048-0.0000 ( 7033 PWs) bands (ev): -10.2993 -10.2993 -9.0443 -9.0443 -7.6296 -7.6296 -7.2547 -7.2547 -7.0784 -7.0784 -7.0074 -7.0074 -3.8867 -3.8867 -2.2906 -2.2906 -0.6120 -0.6120 0.0089 0.0089 0.0855 0.0855 0.4442 0.4442 1.1348 1.1348 1.9884 1.9884 2.6745 2.6745 2.7290 2.7290 2.8467 2.8467 3.0099 3.0099 3.3154 3.3154 3.4012 3.4012 3.6250 3.6250 3.8297 3.8297 4.0644 4.0644 4.1150 4.1150 4.3288 4.3288 5.6880 5.6880 5.8950 5.8950 5.9825 5.9825 6.2850 6.2850 6.4375 6.4375 6.4933 6.4933 6.7788 6.7788 6.8601 6.8601 7.5104 7.5104 7.5276 7.5276 9.0179 9.0179 9.0306 9.0306 k = 0.3387-0.1955-0.0000 ( 7025 PWs) bands (ev): -10.3080 -10.3080 -9.0516 -9.0516 -7.6056 -7.6056 -7.2493 -7.2493 -7.0669 -7.0669 -7.0021 -7.0021 -3.9126 -3.9126 -2.3038 -2.3038 -0.6245 -0.6245 0.0024 0.0024 0.0648 0.0648 0.4282 0.4282 1.1016 1.1016 2.0330 2.0330 2.7022 2.7022 2.7576 2.7576 2.8623 2.8623 3.0238 3.0238 3.3212 3.3212 3.4120 3.4120 3.6192 3.6192 3.7893 3.7893 4.0766 4.0766 4.0977 4.0977 4.3124 4.3124 5.7166 5.7166 5.9009 5.9009 5.9823 5.9823 6.2891 6.2891 6.4316 6.4316 6.4904 6.4904 6.7914 6.7914 6.8525 6.8525 7.5044 7.5044 7.5180 7.5180 9.0104 9.0104 9.0425 9.0425 k = 0.3226-0.1862-0.0000 ( 7029 PWs) bands (ev): -10.3172 -10.3172 -9.0593 -9.0593 -7.5800 -7.5800 -7.2434 -7.2434 -7.0549 -7.0549 -6.9964 -6.9964 -3.9403 -3.9403 -2.3177 -2.3177 -0.6386 -0.6386 -0.0035 -0.0035 0.0472 0.0472 0.4100 0.4100 1.0650 1.0650 2.0763 2.0763 2.7323 2.7323 2.7684 2.7684 2.8996 2.8996 3.0369 3.0369 3.3249 3.3249 3.4230 3.4230 3.6133 3.6133 3.7537 3.7537 4.0653 4.0653 4.1042 4.1042 4.2957 4.2957 5.7449 5.7449 5.9067 5.9067 5.9823 5.9823 6.2933 6.2933 6.4252 6.4252 6.4877 6.4877 6.8054 6.8054 6.8458 6.8458 7.4983 7.4983 7.5076 7.5076 9.0008 9.0008 9.0503 9.0503 k = 0.3065-0.1769-0.0000 ( 7037 PWs) bands (ev): -10.3268 -10.3268 -9.0672 -9.0672 -7.5529 -7.5529 -7.2371 -7.2371 -7.0425 -7.0425 -6.9904 -6.9904 -3.9697 -3.9697 -2.3321 -2.3321 -0.6541 -0.6541 -0.0087 -0.0087 0.0331 0.0331 0.3900 0.3900 1.0257 1.0257 2.1187 2.1187 2.7446 2.7446 2.7780 2.7780 2.9590 2.9590 3.0499 3.0499 3.3263 3.3263 3.4338 3.4338 3.6076 3.6076 3.7240 3.7240 4.0410 4.0410 4.1241 4.1241 4.2790 4.2790 5.7725 5.7725 5.9124 5.9124 5.9825 5.9825 6.2972 6.2972 6.4185 6.4185 6.4850 6.4850 6.8203 6.8203 6.8409 6.8409 7.4915 7.4915 7.4968 7.4968 8.9903 8.9903 9.0547 9.0548 k = 0.2903-0.1676-0.0000 ( 7041 PWs) bands (ev): -10.3365 -10.3365 -9.0754 -9.0754 -7.5245 -7.5245 -7.2304 -7.2304 -7.0299 -7.0299 -6.9842 -6.9842 -4.0005 -4.0005 -2.3469 -2.3469 -0.6708 -0.6708 -0.0130 -0.0130 0.0226 0.0226 0.3685 0.3685 0.9842 0.9842 2.1606 2.1606 2.7211 2.7211 2.8103 2.8103 3.0300 3.0300 3.0652 3.0652 3.3253 3.3253 3.4446 3.4446 3.6025 3.6025 3.7009 3.7009 4.0137 4.0137 4.1467 4.1467 4.2627 4.2627 5.7992 5.7992 5.9176 5.9176 5.9831 5.9831 6.3010 6.3010 6.4115 6.4115 6.4821 6.4821 6.8345 6.8345 6.8403 6.8403 7.4817 7.4817 7.4879 7.4879 8.9794 8.9794 9.0569 9.0569 k = 0.2742-0.1583-0.0000 ( 7033 PWs) bands (ev): -10.3464 -10.3464 -9.0837 -9.0837 -7.4952 -7.4952 -7.2234 -7.2234 -7.0172 -7.0172 -6.9778 -6.9778 -4.0324 -4.0324 -2.3619 -2.3619 -0.6885 -0.6885 -0.0164 -0.0164 0.0153 0.0153 0.3461 0.3461 0.9412 0.9412 2.2027 2.2027 2.6842 2.6842 2.8444 2.8444 3.0742 3.0742 3.1168 3.1168 3.3221 3.3221 3.4555 3.4555 3.5986 3.5986 3.6842 3.6842 3.9848 3.9848 4.1696 4.1696 4.2483 4.2483 5.8246 5.8246 5.9224 5.9224 5.9842 5.9842 6.3045 6.3045 6.4043 6.4043 6.4788 6.4788 6.8381 6.8381 6.8544 6.8544 7.4692 7.4692 7.4803 7.4803 8.9681 8.9681 9.0574 9.0574 k = 0.2581-0.1490-0.0000 ( 7029 PWs) bands (ev): -10.3564 -10.3564 -9.0921 -9.0921 -7.4652 -7.4652 -7.2161 -7.2161 -7.0045 -7.0045 -6.9712 -6.9712 -4.0652 -4.0652 -2.3769 -2.3769 -0.7070 -0.7070 -0.0189 -0.0189 0.0111 0.0111 0.3233 0.3233 0.8972 0.8972 2.2454 2.2454 2.6389 2.6389 2.8751 2.8751 3.0942 3.0942 3.1997 3.1997 3.3175 3.3175 3.4674 3.4674 3.5963 3.5963 3.6733 3.6733 3.9548 3.9548 4.1869 4.1869 4.2409 4.2409 5.8485 5.8485 5.9266 5.9266 5.9857 5.9857 6.3076 6.3076 6.3970 6.3970 6.4748 6.4748 6.8429 6.8429 6.8717 6.8717 7.4559 7.4559 7.4722 7.4722 8.9565 8.9565 9.0565 9.0565 k = 0.2419-0.1397-0.0000 ( 7027 PWs) bands (ev): -10.3662 -10.3662 -9.1003 -9.1003 -7.4347 -7.4347 -7.2087 -7.2087 -6.9920 -6.9920 -6.9647 -6.9647 -4.0984 -4.0984 -2.3917 -2.3917 -0.7259 -0.7259 -0.0204 -0.0204 0.0093 0.0093 0.3009 0.3009 0.8529 0.8529 2.2891 2.2891 2.5873 2.5873 2.8995 2.8995 3.1174 3.1174 3.2822 3.2822 3.3136 3.3136 3.4819 3.4819 3.5958 3.5958 3.6673 3.6673 3.9248 3.9248 4.1869 4.1869 4.2515 4.2515 5.8705 5.8705 5.9302 5.9302 5.9878 5.9878 6.3102 6.3102 6.3897 6.3897 6.4699 6.4699 6.8520 6.8520 6.8896 6.8896 7.4421 7.4421 7.4634 7.4634 8.9444 8.9444 9.0545 9.0545 k = 0.2258-0.1303-0.0000 ( 7019 PWs) bands (ev): -10.3759 -10.3759 -9.1084 -9.1084 -7.4041 -7.4041 -7.2011 -7.2011 -6.9798 -6.9798 -6.9581 -6.9581 -4.1319 -4.1319 -2.4063 -2.4063 -0.7448 -0.7448 -0.0210 -0.0210 0.0092 0.0092 0.2797 0.2797 0.8087 0.8087 2.3341 2.3341 2.5312 2.5312 2.9161 2.9161 3.1439 3.1439 3.3070 3.3070 3.3614 3.3614 3.5032 3.5032 3.5976 3.5976 3.6650 3.6650 3.8965 3.8965 4.1737 4.1737 4.2755 4.2755 5.8904 5.8904 5.9332 5.9332 5.9905 5.9905 6.3122 6.3122 6.3825 6.3825 6.4641 6.4641 6.8658 6.8658 6.9077 6.9077 7.4280 7.4280 7.4537 7.4537 8.9312 8.9312 9.0514 9.0514 k = 0.2097-0.1210-0.0000 ( 7019 PWs) bands (ev): -10.3853 -10.3853 -9.1164 -9.1164 -7.3735 -7.3735 -7.1935 -7.1935 -6.9681 -6.9681 -6.9517 -6.9517 -4.1652 -4.1652 -2.4203 -2.4203 -0.7636 -0.7636 -0.0207 -0.0207 0.0097 0.0097 0.2608 0.2608 0.7652 0.7652 2.3804 2.3804 2.4720 2.4720 2.9250 2.9250 3.1698 3.1698 3.3092 3.3092 3.4173 3.4173 3.5384 3.5384 3.6017 3.6017 3.6653 3.6653 3.8740 3.8740 4.1564 4.1564 4.3034 4.3034 5.9075 5.9075 5.9359 5.9359 5.9939 5.9939 6.3135 6.3135 6.3755 6.3755 6.4573 6.4573 6.8844 6.8844 6.9257 6.9257 7.4140 7.4140 7.4430 7.4430 8.9163 8.9163 9.0475 9.0475 k = 0.1935-0.1117-0.0000 ( 7007 PWs) bands (ev): -10.3944 -10.3944 -9.1240 -9.1240 -7.3435 -7.3435 -7.1860 -7.1860 -6.9570 -6.9570 -6.9453 -6.9453 -4.1981 -4.1981 -2.4338 -2.4338 -0.7818 -0.7818 -0.0197 -0.0197 0.0098 0.0098 0.2452 0.2452 0.7229 0.7229 2.4090 2.4090 2.4305 2.4305 2.9276 2.9276 3.1886 3.1886 3.3218 3.3218 3.4487 3.4487 3.5820 3.5820 3.6090 3.6090 3.6672 3.6672 3.8658 3.8658 4.1375 4.1375 4.3321 4.3321 5.9209 5.9209 5.9393 5.9393 5.9979 5.9979 6.3141 6.3141 6.3689 6.3689 6.4500 6.4500 6.9077 6.9077 6.9434 6.9434 7.4001 7.4001 7.4316 7.4316 8.8989 8.8989 9.0426 9.0426 k = 0.1774-0.1024-0.0000 ( 6995 PWs) bands (ev): -10.4030 -10.4030 -9.1312 -9.1312 -7.3141 -7.3141 -7.1786 -7.1786 -6.9466 -6.9466 -6.9391 -6.9391 -4.2300 -4.2300 -2.4465 -2.4465 -0.7993 -0.7993 -0.0179 -0.0179 0.0084 0.0084 0.2342 0.2342 0.6822 0.6822 2.3491 2.3491 2.4787 2.4787 2.9253 2.9253 3.1962 3.1962 3.3475 3.3475 3.4659 3.4659 3.6072 3.6072 3.6204 3.6204 3.6708 3.6708 3.8850 3.8850 4.1178 4.1178 4.3604 4.3604 5.9287 5.9287 5.9450 5.9450 6.0025 6.0025 6.3138 6.3138 6.3628 6.3628 6.4423 6.4423 6.9350 6.9350 6.9607 6.9607 7.3865 7.3865 7.4196 7.4196 8.8780 8.8780 9.0366 9.0366 k = 0.1613-0.0931-0.0000 ( 6997 PWs) bands (ev): -10.4111 -10.4111 -9.1381 -9.1381 -7.2858 -7.2858 -7.1715 -7.1715 -6.9375 -6.9375 -6.9327 -6.9327 -4.2608 -4.2608 -2.4584 -2.4584 -0.8158 -0.8158 -0.0157 -0.0157 0.0045 0.0045 0.2283 0.2283 0.6435 0.6435 2.2886 2.2886 2.5295 2.5295 2.9195 2.9195 3.1955 3.1955 3.3825 3.3825 3.4762 3.4762 3.6115 3.6115 3.6242 3.6242 3.6768 3.6768 3.9354 3.9354 4.0979 4.0979 4.3877 4.3877 5.9316 5.9316 5.9525 5.9525 6.0074 6.0074 6.3128 6.3128 6.3573 6.3573 6.4346 6.4346 6.9657 6.9657 6.9773 6.9773 7.3732 7.3732 7.4072 7.4072 8.8529 8.8529 9.0296 9.0296 k = 0.1452-0.0838-0.0000 ( 6989 PWs) bands (ev): -10.4186 -10.4186 -9.1444 -9.1444 -7.2589 -7.2589 -7.1647 -7.1647 -6.9304 -6.9304 -6.9255 -6.9255 -4.2901 -4.2901 -2.4694 -2.4694 -0.8312 -0.8312 -0.0133 -0.0133 -0.0018 -0.0018 0.2278 0.2278 0.6072 0.6072 2.2298 2.2298 2.5816 2.5816 2.9113 2.9113 3.1906 3.1906 3.4209 3.4209 3.4815 3.4815 3.5933 3.5933 3.6335 3.6335 3.6829 3.6829 4.0026 4.0026 4.0803 4.0803 4.4136 4.4136 5.9323 5.9323 5.9594 5.9594 6.0124 6.0124 6.3112 6.3112 6.3522 6.3522 6.4273 6.4273 6.9928 6.9928 6.9996 6.9996 7.3604 7.3604 7.3947 7.3947 8.8233 8.8233 9.0212 9.0212 k = 0.1290-0.0745-0.0000 ( 6979 PWs) bands (ev): -10.4255 -10.4255 -9.1502 -9.1502 -7.2336 -7.2336 -7.1583 -7.1583 -6.9250 -6.9250 -6.9178 -6.9178 -4.3174 -4.3174 -2.4793 -2.4793 -0.8452 -0.8452 -0.0138 -0.0138 -0.0073 -0.0073 0.2319 0.2319 0.5736 0.5736 2.1738 2.1738 2.6348 2.6348 2.9015 2.9015 3.1842 3.1842 3.4553 3.4553 3.4827 3.4827 3.5702 3.5702 3.6453 3.6453 3.6885 3.6885 4.0414 4.0414 4.0976 4.0976 4.4376 4.4376 5.9321 5.9321 5.9648 5.9648 6.0171 6.0171 6.3091 6.3091 6.3476 6.3476 6.4206 6.4206 7.0079 7.0079 7.0347 7.0347 7.3481 7.3481 7.3825 7.3825 8.7897 8.7897 9.0113 9.0113 k = 0.1129-0.0652-0.0000 ( 6979 PWs) bands (ev): -10.4317 -10.4317 -9.1555 -9.1555 -7.2103 -7.2103 -7.1524 -7.1524 -6.9206 -6.9206 -6.9106 -6.9106 -4.3425 -4.3425 -2.4883 -2.4883 -0.8578 -0.8578 -0.0228 -0.0228 -0.0056 -0.0056 0.2395 0.2395 0.5431 0.5431 2.1216 2.1216 2.6887 2.6887 2.8911 2.8911 3.1776 3.1776 3.4524 3.4524 3.5043 3.5043 3.5554 3.5554 3.6583 3.6583 3.6936 3.6936 4.0263 4.0263 4.1683 4.1683 4.4595 4.4595 5.9312 5.9312 5.9687 5.9687 6.0210 6.0210 6.3070 6.3070 6.3432 6.3432 6.4148 6.4148 7.0219 7.0219 7.0704 7.0704 7.3364 7.3364 7.3710 7.3710 8.7535 8.7535 8.9998 8.9998 k = 0.0968-0.0559-0.0000 ( 6975 PWs) bands (ev): -10.4372 -10.4372 -9.1601 -9.1601 -7.1894 -7.1894 -7.1471 -7.1471 -6.9168 -6.9168 -6.9042 -6.9042 -4.3650 -4.3650 -2.4961 -2.4961 -0.8690 -0.8690 -0.0335 -0.0335 -0.0026 -0.0026 0.2493 0.2493 0.5159 0.5159 2.0741 2.0741 2.7432 2.7432 2.8806 2.8806 3.1715 3.1715 3.4205 3.4205 3.5320 3.5320 3.5561 3.5561 3.6722 3.6722 3.6982 3.6982 4.0057 4.0057 4.2404 4.2404 4.4792 4.4792 5.9299 5.9299 5.9715 5.9715 6.0241 6.0241 6.3049 6.3049 6.3390 6.3390 6.4100 6.4100 7.0348 7.0348 7.1055 7.1055 7.3254 7.3254 7.3604 7.3604 8.7163 8.7163 8.9868 8.9868 k = 0.0806-0.0466-0.0000 ( 6977 PWs) bands (ev): -10.4419 -10.4419 -9.1641 -9.1641 -7.1711 -7.1711 -7.1424 -7.1424 -6.9136 -6.9136 -6.8987 -6.8987 -4.3846 -4.3846 -2.5027 -2.5027 -0.8785 -0.8785 -0.0440 -0.0440 0.0004 0.0004 0.2599 0.2599 0.4924 0.4924 2.0321 2.0321 2.7976 2.7976 2.8710 2.8710 3.1662 3.1662 3.3786 3.3786 3.5422 3.5422 3.5770 3.5770 3.6868 3.6868 3.7026 3.7026 3.9846 3.9846 4.3062 4.3062 4.4964 4.4964 5.9283 5.9283 5.9733 5.9733 6.0262 6.0262 6.3031 6.3031 6.3350 6.3350 6.4062 6.4062 7.0466 7.0466 7.1385 7.1385 7.3151 7.3151 7.3513 7.3513 8.6804 8.6804 8.9727 8.9727 k = 0.0645-0.0372-0.0000 ( 6983 PWs) bands (ev): -10.4458 -10.4458 -9.1674 -9.1674 -7.1558 -7.1558 -7.1384 -7.1384 -6.9110 -6.9110 -6.8942 -6.8942 -4.4011 -4.4011 -2.5082 -2.5082 -0.8863 -0.8863 -0.0534 -0.0534 0.0032 0.0032 0.2702 0.2702 0.4728 0.4728 1.9964 1.9964 2.8490 2.8490 2.8649 2.8649 3.1618 3.1618 3.3324 3.3324 3.5459 3.5459 3.6013 3.6013 3.7004 3.7004 3.7082 3.7082 3.9639 3.9639 4.3630 4.3630 4.5113 4.5113 5.9265 5.9265 5.9743 5.9743 6.0275 6.0275 6.3018 6.3018 6.3315 6.3315 6.4034 6.4034 7.0571 7.0571 7.1678 7.1678 7.3058 7.3058 7.3438 7.3438 8.6479 8.6479 8.9585 8.9585 k = 0.0484-0.0279-0.0000 ( 6977 PWs) bands (ev): -10.4489 -10.4489 -9.1700 -9.1700 -7.1438 -7.1438 -7.1349 -7.1349 -6.9091 -6.9091 -6.8907 -6.8907 -4.4142 -4.4142 -2.5125 -2.5125 -0.8925 -0.8925 -0.0612 -0.0612 0.0056 0.0056 0.2792 0.2792 0.4573 0.4573 1.9677 1.9677 2.8535 2.8535 2.9059 2.9059 3.1583 3.1583 3.2850 3.2850 3.5487 3.5487 3.6210 3.6210 3.7067 3.7067 3.7206 3.7206 3.9447 3.9447 4.4086 4.4086 4.5236 4.5236 5.9247 5.9247 5.9749 5.9749 6.0283 6.0283 6.3008 6.3008 6.3285 6.3285 6.4014 6.4014 7.0658 7.0658 7.1920 7.1920 7.2979 7.2979 7.3384 7.3384 8.6206 8.6206 8.9451 8.9451 k = 0.0323-0.0186-0.0000 ( 6979 PWs) bands (ev): -10.4511 -10.4511 -9.1719 -9.1719 -7.1363 -7.1363 -7.1312 -7.1312 -6.9077 -6.9077 -6.8882 -6.8882 -4.4236 -4.4236 -2.5156 -2.5156 -0.8969 -0.8969 -0.0671 -0.0671 0.0074 0.0074 0.2863 0.2863 0.4460 0.4460 1.9468 1.9468 2.8485 2.8485 2.9545 2.9545 3.1557 3.1557 3.2394 3.2394 3.5509 3.5509 3.6349 3.6349 3.7093 3.7093 3.7347 3.7347 3.9283 3.9283 4.4416 4.4416 4.5334 4.5334 5.9232 5.9232 5.9752 5.9752 6.0287 6.0287 6.3001 6.3001 6.3263 6.3263 6.4000 6.4000 7.0725 7.0725 7.2099 7.2099 7.2917 7.2917 7.3350 7.3350 8.6000 8.6000 8.9342 8.9342 k = 0.0161-0.0093-0.0000 ( 6977 PWs) bands (ev): -10.4524 -10.4524 -9.1730 -9.1730 -7.1334 -7.1334 -7.1272 -7.1272 -6.9068 -6.9068 -6.8866 -6.8866 -4.4294 -4.4294 -2.5174 -2.5174 -0.8995 -0.8995 -0.0706 -0.0706 0.0085 0.0085 0.2908 0.2908 0.4393 0.4393 1.9340 1.9340 2.8453 2.8453 2.9944 2.9944 3.1542 3.1542 3.2015 3.2015 3.5522 3.5522 3.6430 3.6430 3.7107 3.7107 3.7453 3.7453 3.9168 3.9168 4.4613 4.4613 4.5400 4.5400 5.9222 5.9222 5.9752 5.9752 6.0289 6.0289 6.2997 6.2997 6.3249 6.3249 6.3992 6.3992 7.0768 7.0768 7.2207 7.2207 7.2877 7.2877 7.3333 7.3333 8.5872 8.5872 8.9270 8.9270 k = 0.0000 0.0000 0.0000 ( 6967 PWs) bands (ev): -10.4529 -10.4529 -9.1734 -9.1734 -7.1327 -7.1327 -7.1256 -7.1256 -6.9066 -6.9066 -6.8861 -6.8861 -4.4313 -4.4313 -2.5180 -2.5180 -0.9004 -0.9004 -0.0719 -0.0719 0.0089 0.0089 0.2923 0.2923 0.4370 0.4370 1.9297 1.9297 2.8442 2.8442 3.0116 3.0116 3.1536 3.1536 3.1850 3.1850 3.5527 3.5527 3.6457 3.6457 3.7112 3.7112 3.7494 3.7494 3.9126 3.9126 4.4677 4.4677 4.5424 4.5424 5.9218 5.9218 5.9753 5.9753 6.0289 6.0289 6.2996 6.2996 6.3244 6.3244 6.3990 6.3990 7.0783 7.0783 7.2244 7.2244 7.2863 7.2863 7.3328 7.3328 8.5829 8.5829 8.9245 8.9245 k = 0.0000 0.0000 0.0000 ( 6967 PWs) bands (ev): -10.4529 -10.4529 -9.1734 -9.1734 -7.1327 -7.1327 -7.1256 -7.1256 -6.9066 -6.9066 -6.8861 -6.8861 -4.4313 -4.4313 -2.5180 -2.5180 -0.9004 -0.9004 -0.0719 -0.0719 0.0089 0.0089 0.2923 0.2923 0.4370 0.4370 1.9297 1.9297 2.8442 2.8442 3.0116 3.0116 3.1536 3.1536 3.1850 3.1850 3.5527 3.5527 3.6457 3.6457 3.7112 3.7112 3.7494 3.7494 3.9126 3.9126 4.4677 4.4677 4.5424 4.5424 5.9218 5.9218 5.9753 5.9753 6.0289 6.0289 6.2996 6.2996 6.3244 6.3244 6.3990 6.3990 7.0783 7.0783 7.2244 7.2244 7.2863 7.2863 7.3328 7.3328 8.5829 8.5829 8.9245 8.9245 k = 0.0156 0.0090-0.0048 ( 6969 PWs) bands (ev): -10.4524 -10.4524 -9.1730 -9.1730 -7.1339 -7.1339 -7.1263 -7.1263 -6.9071 -6.9071 -6.8866 -6.8866 -4.4295 -4.4295 -2.5175 -2.5175 -0.8995 -0.8995 -0.0713 -0.0713 0.0097 0.0097 0.2936 0.2936 0.4358 0.4358 1.9339 1.9339 2.8449 2.8449 2.9944 2.9944 3.1645 3.1645 3.1918 3.1918 3.5515 3.5515 3.6443 3.6443 3.7085 3.7085 3.7476 3.7476 3.9150 3.9150 4.4646 4.4646 4.5373 4.5373 5.9222 5.9222 5.9753 5.9753 6.0289 6.0289 6.3000 6.3000 6.3246 6.3246 6.3991 6.3991 7.0776 7.0776 7.2201 7.2201 7.2868 7.2868 7.3333 7.3333 8.5873 8.5873 8.9276 8.9276 k = 0.0312 0.0180-0.0097 ( 6972 PWs) bands (ev): -10.4511 -10.4511 -9.1721 -9.1721 -7.1380 -7.1380 -7.1279 -7.1279 -6.9086 -6.9086 -6.8882 -6.8882 -4.4239 -4.4239 -2.5159 -2.5159 -0.8968 -0.8968 -0.0697 -0.0697 0.0122 0.0122 0.2971 0.2971 0.4327 0.4327 1.9464 1.9464 2.8471 2.8471 2.9565 2.9565 3.1728 3.1728 3.2230 3.2230 3.5480 3.5480 3.6400 3.6400 3.7007 3.7007 3.7427 3.7427 3.9216 3.9216 4.4540 4.4540 4.5234 4.5234 5.9233 5.9233 5.9752 5.9752 6.0288 6.0288 6.3012 6.3012 6.3254 6.3254 6.3994 6.3994 7.0757 7.0757 7.2088 7.2088 7.2862 7.2862 7.3357 7.3357 8.6005 8.6005 8.9365 8.9365 k = 0.0469 0.0271-0.0145 ( 6971 PWs) bands (ev): -10.4490 -10.4490 -9.1705 -9.1705 -7.1454 -7.1454 -7.1298 -7.1298 -6.9113 -6.9113 -6.8907 -6.8907 -4.4147 -4.4147 -2.5132 -2.5132 -0.8923 -0.8923 -0.0672 -0.0672 0.0166 0.0166 0.3022 0.3022 0.4287 0.4287 1.9668 1.9668 2.8490 2.8490 2.9136 2.9136 3.1747 3.1747 3.2683 3.2683 3.5418 3.5418 3.6322 3.6322 3.6889 3.6889 3.7360 3.7360 3.9313 3.9313 4.4331 4.4331 4.5044 4.5044 5.9250 5.9250 5.9749 5.9749 6.0287 6.0287 6.3031 6.3031 6.3269 6.3269 6.4001 6.4001 7.0719 7.0719 7.1931 7.1931 7.2821 7.2821 7.3407 7.3407 8.6218 8.6218 8.9503 8.9503 k = 0.0625 0.0361-0.0193 ( 6973 PWs) bands (ev): -10.4460 -10.4460 -9.1683 -9.1683 -7.1560 -7.1560 -7.1321 -7.1321 -6.9149 -6.9149 -6.8941 -6.8941 -4.4020 -4.4020 -2.5094 -2.5094 -0.8860 -0.8860 -0.0640 -0.0640 0.0229 0.0229 0.3071 0.3071 0.4259 0.4259 1.9946 1.9946 2.8403 2.8403 2.8810 2.8810 3.1752 3.1752 3.3172 3.3172 3.5325 3.5325 3.6204 3.6204 3.6750 3.6750 3.7282 3.7282 3.9429 3.9429 4.3984 4.3984 4.4849 4.4849 5.9271 5.9271 5.9745 5.9745 6.0283 6.0283 6.3053 6.3053 6.3292 6.3292 6.4011 6.4011 7.0657 7.0657 7.1746 7.1746 7.2751 7.2751 7.3477 7.3477 8.6503 8.6503 8.9676 8.9676 k = 0.0781 0.0451-0.0242 ( 6972 PWs) bands (ev): -10.4422 -10.4422 -9.1655 -9.1655 -7.1695 -7.1695 -7.1349 -7.1349 -6.9197 -6.9197 -6.8984 -6.8984 -4.3860 -4.3860 -2.5047 -2.5047 -0.8779 -0.8779 -0.0604 -0.0604 0.0314 0.0314 0.3095 0.3095 0.4271 0.4271 2.0290 2.0290 2.8036 2.8036 2.8779 2.8779 3.1753 3.1753 3.3661 3.3661 3.5188 3.5188 3.6052 3.6052 3.6604 3.6604 3.7200 3.7200 3.9556 3.9556 4.3501 4.3501 4.4662 4.4662 5.9292 5.9292 5.9736 5.9736 6.0275 6.0275 6.3076 6.3076 6.3325 6.3325 6.4025 6.4025 7.0564 7.0564 7.1546 7.1546 7.2670 7.2670 7.3555 7.3555 8.6848 8.6848 8.9869 8.9869 k = 0.0938 0.0541-0.0290 ( 6974 PWs) bands (ev): -10.4375 -10.4375 -9.1621 -9.1621 -7.1856 -7.1856 -7.1381 -7.1381 -6.9255 -6.9255 -6.9035 -6.9035 -4.3668 -4.3668 -2.4989 -2.4989 -0.8682 -0.8682 -0.0567 -0.0567 0.0421 0.0421 0.3070 0.3070 0.4351 0.4351 2.0692 2.0692 2.7584 2.7584 2.8854 2.8854 3.1750 3.1750 3.4127 3.4127 3.4995 3.4995 3.5895 3.5895 3.6456 3.6456 3.7120 3.7120 3.9688 3.9688 4.2910 4.2910 4.4475 4.4475 5.9313 5.9313 5.9722 5.9722 6.0263 6.0263 6.3097 6.3097 6.3369 6.3369 6.4045 6.4045 7.0430 7.0430 7.1341 7.1341 7.2597 7.2597 7.3632 7.3632 8.7239 8.7239 9.0068 9.0068 k = 0.1094 0.0632-0.0339 ( 6980 PWs) bands (ev): -10.4322 -10.4322 -9.1581 -9.1581 -7.2042 -7.2042 -7.1417 -7.1417 -6.9324 -6.9324 -6.9092 -6.9092 -4.3448 -4.3448 -2.4921 -2.4921 -0.8568 -0.8568 -0.0529 -0.0529 0.0549 0.0549 0.2993 0.2993 0.4510 0.4510 2.1142 2.1142 2.7129 2.7129 2.8960 2.8960 3.1742 3.1742 3.4519 3.4519 3.4748 3.4748 3.5781 3.5781 3.6300 3.6300 3.7044 3.7044 3.9817 3.9817 4.2247 4.2247 4.4275 4.4275 5.9331 5.9331 5.9702 5.9702 6.0243 6.0243 6.3116 6.3116 6.3424 6.3424 6.4072 6.4072 7.0254 7.0254 7.1139 7.1139 7.2543 7.2543 7.3704 7.3704 8.7657 8.7657 9.0260 9.0260 k = 0.1250 0.0722-0.0387 ( 6991 PWs) bands (ev): -10.4261 -10.4261 -9.1536 -9.1536 -7.2250 -7.2250 -7.1457 -7.1457 -6.9404 -6.9404 -6.9156 -6.9156 -4.3201 -4.3201 -2.4844 -2.4844 -0.8438 -0.8438 -0.0490 -0.0490 0.0695 0.0695 0.2879 0.2879 0.4738 0.4738 2.1628 2.1628 2.6687 2.6687 2.9080 2.9080 3.1728 3.1728 3.4365 3.4365 3.4854 3.4854 3.5771 3.5771 3.6136 3.6136 3.6974 3.6974 3.9936 3.9936 4.1551 4.1551 4.4059 4.4059 5.9344 5.9344 5.9675 5.9675 6.0214 6.0214 6.3130 6.3130 6.3488 6.3488 6.4107 6.4107 7.0041 7.0041 7.0942 7.0942 7.2513 7.2513 7.3769 7.3769 8.8086 8.8086 9.0436 9.0436 k = 0.1406 0.0812-0.0435 ( 7001 PWs) bands (ev): -10.4193 -10.4193 -9.1486 -9.1486 -7.2478 -7.2478 -7.1501 -7.1501 -6.9494 -6.9494 -6.9224 -6.9224 -4.2931 -4.2931 -2.4758 -2.4758 -0.8294 -0.8294 -0.0451 -0.0451 0.0854 0.0854 0.2752 0.2752 0.5020 0.5020 2.2134 2.2134 2.6271 2.6271 2.9210 2.9210 3.1704 3.1704 3.3976 3.3976 3.4944 3.4944 3.5894 3.5894 3.5982 3.5982 3.6908 3.6908 4.0005 4.0005 4.0899 4.0899 4.3826 4.3826 5.9353 5.9353 5.9641 5.9641 6.0177 6.0177 6.3140 6.3140 6.3559 6.3559 6.4152 6.4152 6.9803 6.9803 7.0749 7.0749 7.2506 7.2506 7.3826 7.3826 8.8510 8.8510 9.0589 9.0589 k = 0.1562 0.0902-0.0484 ( 7005 PWs) bands (ev): -10.4118 -10.4118 -9.1432 -9.1432 -7.2721 -7.2721 -7.1548 -7.1548 -6.9594 -6.9594 -6.9297 -6.9297 -4.2641 -4.2641 -2.4663 -2.4663 -0.8136 -0.8136 -0.0410 -0.0410 0.1016 0.1016 0.2630 0.2630 0.5345 0.5345 2.2638 2.2638 2.5897 2.5897 2.9343 2.9343 3.1664 3.1664 3.3549 3.3549 3.4895 3.4895 3.5770 3.5770 3.6116 3.6116 3.6845 3.6845 3.9836 3.9836 4.0538 4.0538 4.3577 4.3577 5.9354 5.9354 5.9597 5.9597 6.0133 6.0133 6.3147 6.3147 6.3635 6.3635 6.4205 6.4205 6.9555 6.9555 7.0556 7.0556 7.2519 7.2519 7.3877 7.3877 8.8913 8.8913 9.0713 9.0713 k = 0.1719 0.0993-0.0532 ( 7012 PWs) bands (ev): -10.4038 -10.4038 -9.1373 -9.1373 -7.2979 -7.2979 -7.1598 -7.1598 -6.9703 -6.9703 -6.9373 -6.9373 -4.2333 -4.2333 -2.4561 -2.4561 -0.7965 -0.7965 -0.0365 -0.0365 0.1167 0.1167 0.2538 0.2538 0.5704 0.5704 2.3098 2.3098 2.5598 2.5598 2.9475 2.9475 3.1596 3.1596 3.3110 3.3110 3.4783 3.4783 3.5582 3.5582 3.6181 3.6181 3.6792 3.6792 3.9436 3.9436 4.0558 4.0558 4.3315 4.3315 5.9346 5.9346 5.9541 5.9541 6.0086 6.0086 6.3149 6.3149 6.3714 6.3714 6.4267 6.4267 6.9311 6.9311 7.0363 7.0363 7.2549 7.2549 7.3920 7.3920 8.9285 8.9285 9.0803 9.0803 k = 0.1875 0.1083-0.0580 ( 7016 PWs) bands (ev): -10.3953 -10.3953 -9.1311 -9.1311 -7.3247 -7.3247 -7.1651 -7.1651 -6.9820 -6.9820 -6.9452 -6.9452 -4.2012 -4.2012 -2.4452 -2.4452 -0.7784 -0.7784 -0.0317 -0.0317 0.1288 0.1288 0.2498 0.2498 0.6091 0.6091 2.3434 2.3434 2.5446 2.5446 2.9595 2.9595 3.1482 3.1482 3.2693 3.2693 3.4637 3.4637 3.5372 3.5372 3.6001 3.6001 3.6765 3.6765 3.9187 3.9187 4.0682 4.0682 4.3044 4.3044 5.9326 5.9326 5.9471 5.9471 6.0040 6.0040 6.3147 6.3147 6.3795 6.3795 6.4334 6.4334 6.9081 6.9081 7.0169 7.0169 7.2590 7.2590 7.3957 7.3957 8.9619 8.9619 9.0855 9.0855 k = 0.2031 0.1173-0.0629 ( 7024 PWs) bands (ev): -10.3863 -10.3863 -9.1245 -9.1245 -7.3523 -7.3523 -7.1704 -7.1704 -6.9943 -6.9943 -6.9533 -6.9533 -4.1679 -4.1679 -2.4338 -2.4338 -0.7593 -0.7593 -0.0263 -0.0263 0.1361 0.1361 0.2533 0.2533 0.6500 0.6500 2.3539 2.3539 2.5537 2.5537 2.9692 2.9692 3.1292 3.1292 3.2341 3.2341 3.4451 3.4451 3.5076 3.5076 3.5653 3.5653 3.6754 3.6754 3.9176 3.9176 4.0834 4.0834 4.2770 4.2770 5.9286 5.9286 5.9390 5.9390 6.0000 6.0000 6.3140 6.3140 6.3877 6.3877 6.4405 6.4405 6.8875 6.8875 6.9975 6.9975 7.2640 7.2640 7.3989 7.3989 8.9914 8.9914 9.0866 9.0866 k = 0.2188 0.1263-0.0677 ( 7027 PWs) bands (ev): -10.3769 -10.3769 -9.1177 -9.1177 -7.3805 -7.3805 -7.1759 -7.1759 -7.0073 -7.0073 -6.9616 -6.9616 -4.1340 -4.1340 -2.4218 -2.4218 -0.7397 -0.7397 -0.0203 -0.0203 0.1385 0.1385 0.2646 0.2646 0.6925 0.6925 2.3415 2.3415 2.5855 2.5855 2.9736 2.9736 3.1025 3.1025 3.2085 3.2085 3.4144 3.4144 3.4649 3.4649 3.5381 3.5381 3.6755 3.6755 3.9317 3.9317 4.1004 4.1004 4.2503 4.2503 5.9205 5.9205 5.9315 5.9315 5.9971 5.9971 6.3130 6.3130 6.3961 6.3961 6.4475 6.4475 6.8697 6.8697 6.9782 6.9782 7.2695 7.2695 7.4016 7.4016 9.0171 9.0171 9.0835 9.0835 k = 0.2344 0.1354-0.0726 ( 7021 PWs) bands (ev): -10.3672 -10.3672 -9.1107 -9.1107 -7.4090 -7.4090 -7.1814 -7.1814 -7.0206 -7.0206 -6.9699 -6.9699 -4.0996 -4.0996 -2.4095 -2.4095 -0.7196 -0.7196 -0.0136 -0.0136 0.1381 0.1381 0.2816 0.2816 0.7362 0.7362 2.3166 2.3166 2.6284 2.6284 2.9671 2.9671 3.0762 3.0762 3.1899 3.1899 3.3544 3.3544 3.4340 3.4340 3.5216 3.5216 3.6773 3.6773 3.9516 3.9516 4.1178 4.1178 4.2263 4.2263 5.9077 5.9077 5.9254 5.9254 5.9952 5.9952 6.3117 6.3117 6.4044 6.4044 6.4542 6.4542 6.8552 6.8552 6.9593 6.9593 7.2756 7.2756 7.4039 7.4039 9.0388 9.0388 9.0766 9.0766 k = 0.2500 0.1444-0.0774 ( 7023 PWs) bands (ev): -10.3574 -10.3574 -9.1035 -9.1035 -7.4375 -7.4375 -7.1870 -7.1870 -7.0342 -7.0342 -6.9783 -6.9783 -4.0652 -4.0652 -2.3969 -2.3969 -0.6994 -0.6994 -0.0061 -0.0061 0.1371 0.1371 0.3022 0.3022 0.7804 0.7804 2.2860 2.2860 2.6737 2.6737 2.9431 2.9431 3.0610 3.0610 3.1725 3.1725 3.2803 3.2803 3.4137 3.4137 3.5100 3.5100 3.6819 3.6819 3.9716 3.9716 4.1323 4.1323 4.2093 4.2093 5.8918 5.8918 5.9194 5.9194 5.9943 5.9943 6.3100 6.3100 6.4127 6.4127 6.4602 6.4602 6.8441 6.8441 6.9410 6.9410 7.2819 7.2819 7.4059 7.4059 9.0527 9.0527 9.0702 9.0702 k = 0.2656 0.1534-0.0822 ( 7025 PWs) bands (ev): -10.3473 -10.3473 -9.0962 -9.0962 -7.4658 -7.4658 -7.1924 -7.1924 -7.0480 -7.0480 -6.9866 -6.9866 -4.0309 -4.0309 -2.3843 -2.3843 -0.6794 -0.6794 0.0023 0.0023 0.1373 0.1373 0.3245 0.3245 0.8247 0.8247 2.2529 2.2529 2.7165 2.7165 2.9052 2.9052 3.0564 3.0564 3.1451 3.1451 3.2148 3.2148 3.3960 3.3960 3.5012 3.5012 3.6903 3.6903 3.9880 3.9880 4.1362 4.1362 4.2083 4.2083 5.8736 5.8736 5.9130 5.9130 5.9941 5.9941 6.3081 6.3081 6.4210 6.4210 6.4654 6.4654 6.8362 6.8362 6.9238 6.9238 7.2885 7.2885 7.4076 7.4076 9.0440 9.0440 9.0802 9.0802 k = 0.2812 0.1624-0.0871 ( 7024 PWs) bands (ev): -10.3373 -10.3373 -9.0889 -9.0889 -7.4935 -7.4935 -7.1978 -7.1978 -7.0617 -7.0617 -6.9947 -6.9947 -3.9972 -3.9972 -2.3716 -2.3716 -0.6599 -0.6599 0.0118 0.0118 0.1396 0.1396 0.3475 0.3475 0.8684 0.8684 2.2180 2.2180 2.7532 2.7532 2.8624 2.8624 3.0527 3.0527 3.0930 3.0930 3.1802 3.1802 3.3787 3.3787 3.4940 3.4940 3.7035 3.7035 3.9988 3.9988 4.1293 4.1293 4.2248 4.2248 5.8537 5.8537 5.9060 5.9060 5.9945 5.9945 6.3060 6.3060 6.4290 6.4290 6.4698 6.4698 6.8310 6.8310 6.9080 6.9080 7.2954 7.2954 7.4089 7.4089 9.0253 9.0253 9.0943 9.0943 k = 0.2969 0.1715-0.0919 ( 7025 PWs) bands (ev): -10.3273 -10.3273 -9.0817 -9.0817 -7.5206 -7.5206 -7.2030 -7.2030 -7.0754 -7.0754 -7.0027 -7.0027 -3.9644 -3.9644 -2.3591 -2.3591 -0.6412 -0.6412 0.0224 0.0224 0.1446 0.1446 0.3702 0.3702 0.9111 0.9111 2.1814 2.1814 2.7760 2.7760 2.8256 2.8256 3.0107 3.0107 3.0668 3.0668 3.1639 3.1639 3.3611 3.3611 3.4880 3.4880 3.7222 3.7222 4.0023 4.0023 4.1220 4.1220 4.2493 4.2493 5.8324 5.8324 5.8987 5.8987 5.9952 5.9952 6.3038 6.3038 6.4367 6.4367 6.4733 6.4733 6.8277 6.8277 6.8943 6.8943 7.3028 7.3028 7.4100 7.4100 9.0025 9.0025 9.1074 9.1074 k = 0.3125 0.1805-0.0967 ( 7025 PWs) bands (ev): -10.3175 -10.3175 -9.0747 -9.0747 -7.5467 -7.5467 -7.2080 -7.2080 -7.0887 -7.0887 -7.0103 -7.0103 -3.9326 -3.9326 -2.3468 -2.3468 -0.6236 -0.6236 0.0342 0.0342 0.1525 0.1525 0.3922 0.3922 0.9520 0.9520 2.1430 2.1430 2.7581 2.7581 2.8228 2.8228 2.9455 2.9455 3.0655 3.0655 3.1526 3.1526 3.3428 3.3428 3.4827 3.4827 3.7467 3.7467 3.9988 3.9988 4.1197 4.1197 4.2764 4.2764 5.8100 5.8100 5.8910 5.8910 5.9962 5.9962 6.3014 6.3014 6.4441 6.4441 6.4761 6.4761 6.8249 6.8249 6.8837 6.8837 7.3108 7.3108 7.4108 7.4108 8.9764 8.9764 9.1194 9.1194 k = 0.3281 0.1895-0.1016 ( 7022 PWs) bands (ev): -10.3079 -10.3079 -9.0678 -9.0678 -7.5716 -7.5716 -7.2128 -7.2128 -7.1017 -7.1017 -7.0177 -7.0177 -3.9023 -3.9023 -2.3350 -2.3350 -0.6074 -0.6074 0.0473 0.0473 0.1634 0.1634 0.4131 0.4131 0.9906 0.9906 2.1022 2.1022 2.7208 2.7208 2.8320 2.8320 2.8869 2.8869 3.0651 3.0651 3.1434 3.1434 3.3235 3.3235 3.4779 3.4779 3.7765 3.7765 3.9906 3.9906 4.1224 4.1224 4.3037 4.3037 5.7868 5.7868 5.8832 5.8832 5.9974 5.9974 6.2991 6.2991 6.4510 6.4510 6.4785 6.4785 6.8209 6.8209 6.8773 6.8773 7.3194 7.3194 7.4113 7.4113 8.9478 8.9478 9.1305 9.1305 k = 0.3438 0.1985-0.1064 ( 7015 PWs) bands (ev): -10.2988 -10.2988 -9.0612 -9.0612 -7.5951 -7.5951 -7.2172 -7.2172 -7.1140 -7.1140 -7.0246 -7.0246 -3.8737 -3.8737 -2.3238 -2.3238 -0.5926 -0.5926 0.0614 0.0614 0.1770 0.1770 0.4324 0.4324 1.0263 1.0263 2.0590 2.0590 2.6845 2.6845 2.8184 2.8184 2.8546 2.8546 3.0636 3.0636 3.1354 3.1354 3.3032 3.3032 3.4734 3.4734 3.8103 3.8103 3.9815 3.9815 4.1283 4.1283 4.3300 4.3300 5.7632 5.7632 5.8754 5.8754 5.9986 5.9986 6.2967 6.2967 6.4573 6.4573 6.4806 6.4806 6.8150 6.8150 6.8755 6.8755 7.3287 7.3287 7.4116 7.4116 8.9171 8.9171 9.1409 9.1409 k = 0.3594 0.2076-0.1113 ( 7018 PWs) bands (ev): -10.2901 -10.2901 -9.0550 -9.0550 -7.6171 -7.6171 -7.2214 -7.2214 -7.1257 -7.1257 -7.0311 -7.0311 -3.8469 -3.8469 -2.3132 -2.3132 -0.5796 -0.5796 0.0763 0.0763 0.1933 0.1933 0.4499 0.4499 1.0586 1.0586 2.0135 2.0135 2.6523 2.6523 2.7802 2.7802 2.8501 2.8501 3.0608 3.0608 3.1280 3.1280 3.2821 3.2821 3.4692 3.4692 3.8448 3.8448 3.9755 3.9755 4.1359 4.1359 4.3542 4.3542 5.7394 5.7394 5.8677 5.8677 5.9999 5.9999 6.2943 6.2943 6.4630 6.4630 6.4826 6.4826 6.8075 6.8075 6.8771 6.8771 7.3387 7.3387 7.4117 7.4117 8.8850 8.8850 9.1507 9.1507 k = 0.3750 0.2166-0.1161 ( 7014 PWs) bands (ev): -10.2820 -10.2820 -9.0492 -9.0492 -7.6372 -7.6372 -7.2252 -7.2252 -7.1366 -7.1366 -7.0370 -7.0370 -3.8223 -3.8223 -2.3034 -2.3034 -0.5682 -0.5682 0.0916 0.0916 0.2118 0.2118 0.4654 0.4654 1.0871 1.0871 1.9662 1.9662 2.6251 2.6251 2.7470 2.7470 2.8450 2.8450 3.0565 3.0565 3.1204 3.1204 3.2610 3.2610 3.4655 3.4655 3.8745 3.8745 3.9780 3.9780 4.1440 4.1440 4.3759 4.3759 5.7161 5.7161 5.8603 5.8603 6.0012 6.0012 6.2921 6.2921 6.4680 6.4680 6.4845 6.4845 6.7996 6.7996 6.8808 6.8808 7.3492 7.3492 7.4119 7.4119 8.8523 8.8523 9.1600 9.1600 k = 0.3906 0.2256-0.1209 ( 7015 PWs) bands (ev): -10.2745 -10.2745 -9.0439 -9.0439 -7.6554 -7.6554 -7.2286 -7.2286 -7.1465 -7.1465 -7.0424 -7.0424 -3.8001 -3.8001 -2.2946 -2.2946 -0.5584 -0.5584 0.1068 0.1068 0.2321 0.2321 0.4788 0.4788 1.1116 1.1116 1.9183 1.9183 2.6034 2.6034 2.7225 2.7225 2.8363 2.8363 3.0509 3.0509 3.1120 3.1120 3.2407 3.2407 3.4622 3.4622 3.8916 3.8916 3.9955 3.9955 4.1522 4.1522 4.3946 4.3946 5.6935 5.6935 5.8533 5.8533 6.0024 6.0024 6.2899 6.2899 6.4724 6.4724 6.4864 6.4864 6.7919 6.7919 6.8853 6.8853 7.3597 7.3597 7.4123 7.4123 8.8198 8.8198 9.1690 9.1690 k = 0.4062 0.2346-0.1258 ( 7010 PWs) bands (ev): -10.2679 -10.2679 -9.0392 -9.0392 -7.6716 -7.6716 -7.2316 -7.2316 -7.1553 -7.1553 -7.0471 -7.0471 -3.7804 -3.7804 -2.2867 -2.2867 -0.5503 -0.5503 0.1213 0.1213 0.2535 0.2535 0.4900 0.4900 1.1320 1.1320 1.8712 1.8712 2.5872 2.5872 2.7064 2.7064 2.8248 2.8248 3.0443 3.0443 3.1022 3.1022 3.2225 3.2225 3.4595 3.4595 3.8964 3.8964 4.0262 4.0262 4.1603 4.1603 4.4100 4.4100 5.6722 5.6722 5.8470 5.8470 6.0036 6.0036 6.2879 6.2879 6.4761 6.4761 6.4882 6.4882 6.7849 6.7849 6.8900 6.8900 7.3696 7.3696 7.4135 7.4135 8.7886 8.7886 9.1774 9.1774 k = 0.4219 0.2437-0.1306 ( 7010 PWs) bands (ev): -10.2621 -10.2621 -9.0351 -9.0351 -7.6855 -7.6855 -7.2342 -7.2342 -7.1629 -7.1629 -7.0512 -7.0512 -3.7635 -3.7635 -2.2798 -2.2798 -0.5437 -0.5437 0.1347 0.1347 0.2749 0.2749 0.4989 0.4989 1.1483 1.1483 1.8268 1.8268 2.5762 2.5762 2.6978 2.6978 2.8112 2.8112 3.0370 3.0370 3.0909 3.0909 3.2073 3.2073 3.4573 3.4573 3.8956 3.8956 4.0615 4.0615 4.1682 4.1682 4.4218 4.4218 5.6528 5.6528 5.8413 5.8413 6.0046 6.0046 6.2861 6.2861 6.4794 6.4794 6.4897 6.4897 6.7789 6.7789 6.8943 6.8943 7.3778 7.3778 7.4161 7.4161 8.7596 8.7596 9.1851 9.1851 k = 0.4375 0.2527-0.1354 ( 7008 PWs) bands (ev): -10.2573 -10.2573 -9.0316 -9.0316 -7.6970 -7.6970 -7.2363 -7.2363 -7.1693 -7.1693 -7.0546 -7.0546 -3.7494 -3.7494 -2.2742 -2.2742 -0.5384 -0.5384 0.1463 0.1463 0.2954 0.2954 0.5057 0.5057 1.1609 1.1609 1.7870 1.7870 2.5696 2.5696 2.6955 2.6955 2.7963 2.7963 3.0294 3.0294 3.0788 3.0788 3.1957 3.1957 3.4555 3.4555 3.8932 3.8932 4.0951 4.0951 4.1761 4.1761 4.4302 4.4302 5.6359 5.6359 5.8365 5.8365 6.0054 6.0054 6.2846 6.2846 6.4823 6.4823 6.4909 6.4909 6.7739 6.7739 6.8979 6.8979 7.3834 7.3834 7.4203 7.4203 8.7339 8.7339 9.1919 9.1919 k = 0.4531 0.2617-0.1403 ( 7008 PWs) bands (ev): -10.2534 -10.2534 -9.0289 -9.0289 -7.7061 -7.7061 -7.2380 -7.2380 -7.1744 -7.1744 -7.0573 -7.0573 -3.7383 -3.7383 -2.2697 -2.2697 -0.5345 -0.5345 0.1559 0.1559 0.3134 0.3134 0.5105 0.5105 1.1701 1.1701 1.7536 1.7536 2.5664 2.5664 2.6982 2.6982 2.7808 2.7808 3.0219 3.0219 3.0675 3.0675 3.1875 3.1875 3.4543 3.4543 3.8907 3.8907 4.1228 4.1228 4.1846 4.1846 4.4355 4.4355 5.6220 5.6220 5.8327 5.8327 6.0061 6.0061 6.2834 6.2834 6.4848 6.4848 6.4916 6.4916 6.7701 6.7701 6.9008 6.9008 7.3866 7.3866 7.4256 7.4256 8.7127 8.7127 9.1976 9.1976 k = 0.4688 0.2707-0.1451 ( 7001 PWs) bands (ev): -10.2506 -10.2506 -9.0269 -9.0269 -7.7126 -7.7126 -7.2392 -7.2392 -7.1781 -7.1781 -7.0592 -7.0592 -3.7303 -3.7303 -2.2665 -2.2665 -0.5317 -0.5317 0.1630 0.1630 0.3276 0.3276 0.5135 0.5135 1.1764 1.1764 1.7284 1.7284 2.5655 2.5655 2.7047 2.7047 2.7657 2.7657 3.0152 3.0152 3.0585 3.0585 3.1821 3.1821 3.4534 3.4534 3.8888 3.8888 4.1418 4.1418 4.1937 4.1937 4.4383 4.4383 5.6116 5.6116 5.8299 5.8299 6.0067 6.0067 6.2825 6.2825 6.4870 6.4870 6.4919 6.4919 6.7673 6.7673 6.9029 6.9029 7.3881 7.3881 7.4306 7.4306 8.6967 8.6967 9.2019 9.2019 k = 0.4844 0.2798-0.1500 ( 7001 PWs) bands (ev): -10.2489 -10.2489 -9.0257 -9.0257 -7.7166 -7.7166 -7.2399 -7.2399 -7.1803 -7.1803 -7.0604 -7.0604 -3.7255 -3.7255 -2.2645 -2.2645 -0.5301 -0.5301 0.1674 0.1674 0.3368 0.3368 0.5151 0.5151 1.1799 1.1799 1.7126 1.7126 2.5655 2.5655 2.7130 2.7130 2.7524 2.7524 3.0105 3.0105 3.0528 3.0528 3.1791 3.1791 3.4529 3.4529 3.8876 3.8876 4.1519 4.1519 4.2016 4.2016 4.4394 4.4394 5.6052 5.6052 5.8282 5.8282 6.0070 6.0070 6.2819 6.2819 6.4886 6.4886 6.4916 6.4916 6.7656 6.7656 6.9042 6.9042 7.3887 7.3887 7.4341 7.4341 8.6868 8.6868 9.2046 9.2046 k = 0.5000 0.2888-0.1548 ( 7006 PWs) bands (ev): -10.2484 -10.2484 -9.0253 -9.0253 -7.7179 -7.7179 -7.2401 -7.2401 -7.1810 -7.1810 -7.0608 -7.0608 -3.7239 -3.7239 -2.2639 -2.2639 -0.5295 -0.5295 0.1689 0.1689 0.3400 0.3400 0.5156 0.5156 1.1811 1.1811 1.7072 1.7072 2.5656 2.5656 2.7178 2.7178 2.7459 2.7459 3.0088 3.0088 3.0509 3.0509 3.1781 3.1781 3.4527 3.4527 3.8872 3.8872 4.1549 4.1549 4.2048 4.2048 4.4396 4.4396 5.6030 5.6030 5.8276 5.8276 6.0071 6.0071 6.2817 6.2817 6.4894 6.4894 6.4912 6.4912 6.7651 6.7651 6.9046 6.9046 7.3889 7.3889 7.4354 7.4354 8.6834 8.6834 9.2055 9.2055 k = 0.5000 0.2888 0.3039 ( 7020 PWs) bands (ev): -10.1984 -10.1984 -9.1139 -9.1139 -7.6645 -7.6645 -7.2829 -7.2829 -7.2455 -7.2455 -7.0047 -7.0047 -3.6825 -3.6825 -2.1845 -2.1845 -0.4442 -0.4442 0.0161 0.0161 0.3973 0.3973 0.5505 0.5505 1.1318 1.1318 1.7411 1.7411 2.4735 2.4735 2.4759 2.4759 2.6746 2.6746 2.9377 2.9377 3.1825 3.1825 3.5114 3.5114 3.5264 3.5264 3.8183 3.8183 4.1314 4.1314 4.2034 4.2034 4.3927 4.3927 5.5179 5.5179 5.8029 5.8029 6.0179 6.0179 6.3011 6.3011 6.4596 6.4596 6.5177 6.5177 6.7821 6.7821 6.8860 6.8860 7.4624 7.4624 7.6431 7.6431 8.7439 8.7439 9.0486 9.0486 k = 0.4857 0.2805 0.2952 ( 7021 PWs) bands (ev): -10.1990 -10.1990 -9.1140 -9.1140 -7.6634 -7.6634 -7.2826 -7.2826 -7.2448 -7.2448 -7.0044 -7.0044 -3.6841 -3.6841 -2.1852 -2.1852 -0.4449 -0.4449 0.0151 0.0151 0.3936 0.3936 0.5507 0.5507 1.1314 1.1314 1.7464 1.7464 2.4619 2.4619 2.4878 2.4878 2.6756 2.6756 2.9397 2.9397 3.1820 3.1820 3.5100 3.5100 3.5286 3.5286 3.8189 3.8189 4.1265 4.1265 4.2033 4.2033 4.3927 4.3927 5.5202 5.5202 5.8034 5.8034 6.0179 6.0179 6.3012 6.3012 6.4594 6.4594 6.5175 6.5175 6.7823 6.7823 6.8860 6.8860 7.4605 7.4605 7.6426 7.6426 8.7475 8.7475 9.0450 9.0450 k = 0.4714 0.2723 0.2865 ( 7020 PWs) bands (ev): -10.2008 -10.2008 -9.1144 -9.1144 -7.6603 -7.6603 -7.2818 -7.2818 -7.2427 -7.2427 -7.0038 -7.0038 -3.6886 -3.6886 -2.1873 -2.1873 -0.4469 -0.4469 0.0124 0.0124 0.3829 0.3829 0.5512 0.5512 1.1301 1.1301 1.7620 1.7620 2.4502 2.4502 2.5007 2.5007 2.6786 2.6786 2.9454 2.9454 3.1807 3.1807 3.5073 3.5073 3.5339 3.5339 3.8206 3.8206 4.1124 4.1124 4.2028 4.2028 4.3926 4.3926 5.5270 5.5270 5.8049 5.8049 6.0179 6.0179 6.3017 6.3017 6.4590 6.4590 6.5169 6.5169 6.7830 6.7830 6.8862 6.8862 7.4552 7.4552 7.6411 7.6411 8.7582 8.7582 9.0382 9.0382 k = 0.4571 0.2640 0.2779 ( 7021 PWs) bands (ev): -10.2038 -10.2038 -9.1149 -9.1149 -7.6551 -7.6551 -7.2804 -7.2804 -7.2392 -7.2392 -7.0027 -7.0027 -3.6961 -3.6961 -2.1907 -2.1907 -0.4502 -0.4502 0.0080 0.0080 0.3664 0.3664 0.5513 0.5513 1.1276 1.1276 1.7872 1.7872 2.4403 2.4403 2.5132 2.5132 2.6838 2.6838 2.9540 2.9540 3.1786 3.1786 3.5044 3.5044 3.5409 3.5409 3.8235 3.8235 4.0904 4.0904 4.2015 4.2015 4.3918 4.3918 5.5380 5.5380 5.8074 5.8074 6.0178 6.0178 6.3024 6.3024 6.4583 6.4583 6.5159 6.5159 6.7841 6.7841 6.8865 6.8865 7.4466 7.4466 7.6386 7.6386 8.7756 8.7756 9.0310 9.0310 k = 0.4429 0.2558 0.2692 ( 7026 PWs) bands (ev): -10.2079 -10.2079 -9.1157 -9.1157 -7.6479 -7.6479 -7.2785 -7.2785 -7.2343 -7.2343 -7.0011 -7.0011 -3.7065 -3.7065 -2.1954 -2.1954 -0.4549 -0.4549 0.0021 0.0021 0.3454 0.3454 0.5504 0.5504 1.1236 1.1236 1.8210 1.8210 2.4333 2.4333 2.5258 2.5258 2.6910 2.6910 2.9648 2.9648 3.1759 3.1759 3.5019 3.5019 3.5491 3.5491 3.8274 3.8274 4.0623 4.0623 4.1993 4.1993 4.3898 4.3898 5.5528 5.5528 5.8108 5.8108 6.0177 6.0177 6.3033 6.3033 6.4574 6.4574 6.5145 6.5145 6.7856 6.7856 6.8871 6.8871 7.4352 7.4352 7.6350 7.6350 8.7990 8.7990 9.0239 9.0239 k = 0.4286 0.2475 0.2605 ( 7025 PWs) bands (ev): -10.2131 -10.2131 -9.1168 -9.1168 -7.6388 -7.6388 -7.2761 -7.2761 -7.2281 -7.2281 -6.9992 -6.9992 -3.7197 -3.7197 -2.2015 -2.2015 -0.4610 -0.4610 -0.0050 -0.0050 0.3213 0.3213 0.5481 0.5481 1.1175 1.1175 1.8619 1.8619 2.4298 2.4298 2.5391 2.5391 2.7000 2.7000 2.9767 2.9767 3.1726 3.1726 3.4999 3.4999 3.5581 3.5581 3.8323 3.8323 4.0295 4.0295 4.1961 4.1961 4.3861 4.3861 5.5709 5.5709 5.8152 5.8152 6.0176 6.0176 6.3045 6.3045 6.4563 6.4563 6.5126 6.5126 6.7873 6.7873 6.8882 6.8882 7.4216 7.4216 7.6304 7.6304 8.8277 8.8277 9.0172 9.0172 k = 0.4143 0.2393 0.2518 ( 7028 PWs) bands (ev): -10.2193 -10.2193 -9.1180 -9.1180 -7.6278 -7.6278 -7.2731 -7.2731 -7.2207 -7.2207 -6.9968 -6.9968 -3.7356 -3.7356 -2.2088 -2.2088 -0.4685 -0.4685 -0.0130 -0.0130 0.2955 0.2955 0.5439 0.5439 1.1089 1.1089 1.9084 1.9084 2.4306 2.4306 2.5544 2.5544 2.7101 2.7101 2.9887 2.9887 3.1690 3.1690 3.4984 3.4984 3.5678 3.5678 3.8379 3.8379 3.9937 3.9937 4.1920 4.1920 4.3806 4.3806 5.5917 5.5917 5.8203 5.8203 6.0174 6.0174 6.3058 6.3058 6.4551 6.4551 6.5101 6.5101 6.7890 6.7890 6.8901 6.8901 7.4064 7.4064 7.6248 7.6248 8.8607 8.8607 9.0109 9.0109 k = 0.4000 0.2310 0.2431 ( 7019 PWs) bands (ev): -10.2264 -10.2264 -9.1195 -9.1195 -7.6150 -7.6150 -7.2696 -7.2696 -7.2121 -7.2121 -6.9941 -6.9941 -3.7540 -3.7540 -2.2173 -2.2173 -0.4774 -0.4774 -0.0217 -0.0217 0.2690 0.2690 0.5378 0.5378 1.0972 1.0972 1.9590 1.9590 2.4362 2.4362 2.5727 2.5727 2.7206 2.7206 2.9999 2.9999 3.1653 3.1653 3.4974 3.4974 3.5779 3.5779 3.8439 3.8439 3.9566 3.9566 4.1869 4.1869 4.3733 4.3733 5.6146 5.6146 5.8263 5.8263 6.0172 6.0172 6.3073 6.3073 6.4539 6.4539 6.5072 6.5072 6.7906 6.7906 6.8931 6.8931 7.3902 7.3902 7.6181 7.6181 8.8971 8.8971 9.0050 9.0050 k = 0.3857 0.2228 0.2344 ( 7014 PWs) bands (ev): -10.2344 -10.2344 -9.1211 -9.1211 -7.6006 -7.6006 -7.2656 -7.2656 -7.2024 -7.2024 -6.9910 -6.9910 -3.7749 -3.7749 -2.2269 -2.2269 -0.4879 -0.4879 -0.0306 -0.0306 0.2430 0.2430 0.5296 0.5296 1.0821 1.0821 2.0118 2.0118 2.4472 2.4472 2.5954 2.5954 2.7308 2.7308 3.0097 3.0097 3.1616 3.1616 3.4967 3.4967 3.5882 3.5882 3.8483 3.8483 3.9213 3.9213 4.1811 4.1811 4.3643 4.3643 5.6391 5.6391 5.8329 5.8329 6.0170 6.0170 6.3088 6.3088 6.4527 6.4527 6.5036 6.5036 6.7919 6.7919 6.8973 6.8973 7.3737 7.3737 7.6104 7.6104 8.9356 8.9356 8.9996 8.9996 k = 0.3714 0.2145 0.2258 ( 7013 PWs) bands (ev): -10.2432 -10.2432 -9.1230 -9.1230 -7.5845 -7.5845 -7.2611 -7.2611 -7.1916 -7.1916 -6.9875 -6.9875 -3.7980 -3.7980 -2.2376 -2.2376 -0.4999 -0.4999 -0.0396 -0.0396 0.2181 0.2181 0.5192 0.5192 1.0633 1.0633 2.0654 2.0654 2.4636 2.4636 2.6232 2.6232 2.7401 2.7401 3.0178 3.0178 3.1584 3.1584 3.4959 3.4959 3.5983 3.5983 3.8435 3.8435 3.8966 3.8966 4.1745 4.1745 4.3539 4.3539 5.6645 5.6645 5.8401 5.8401 6.0167 6.0167 6.3103 6.3103 6.4514 6.4514 6.4995 6.4995 6.7928 6.7928 6.9031 6.9031 7.3572 7.3572 7.6017 7.6017 8.9745 8.9745 8.9953 8.9953 k = 0.3571 0.2063 0.2171 ( 7013 PWs) bands (ev): -10.2527 -10.2527 -9.1250 -9.1250 -7.5670 -7.5670 -7.2562 -7.2562 -7.1799 -7.1799 -6.9838 -6.9838 -3.8232 -3.8232 -2.2493 -2.2493 -0.5135 -0.5135 -0.0483 -0.0483 0.1952 0.1952 0.5068 0.5068 1.0409 1.0409 2.1180 2.1180 2.4855 2.4855 2.6563 2.6563 2.7482 2.7482 3.0239 3.0239 3.1564 3.1564 3.4946 3.4946 3.6082 3.6082 3.8202 3.8202 3.8928 3.8928 4.1673 4.1673 4.3426 4.3426 5.6906 5.6906 5.8479 5.8479 6.0164 6.0164 6.3118 6.3118 6.4501 6.4501 6.4948 6.4948 6.7934 6.7934 6.9106 6.9106 7.3413 7.3413 7.5921 7.5921 8.9885 8.9885 9.0163 9.0163 k = 0.3429 0.1980 0.2084 ( 7009 PWs) bands (ev): -10.2627 -10.2627 -9.1272 -9.1272 -7.5482 -7.5482 -7.2509 -7.2509 -7.1674 -7.1674 -6.9797 -6.9797 -3.8502 -3.8502 -2.2618 -2.2618 -0.5287 -0.5287 -0.0566 -0.0566 0.1748 0.1748 0.4922 0.4922 1.0149 1.0149 2.1683 2.1683 2.5127 2.5127 2.6922 2.6922 2.7570 2.7570 3.0278 3.0278 3.1563 3.1563 3.4924 3.4924 3.6176 3.6176 3.7889 3.7889 3.8998 3.8998 4.1600 4.1600 4.3309 4.3309 5.7167 5.7167 5.8560 5.8560 6.0160 6.0160 6.3133 6.3133 6.4487 6.4487 6.4897 6.4897 6.7938 6.7938 6.9198 6.9198 7.3262 7.3262 7.5816 7.5816 8.9849 8.9849 9.0540 9.0540 k = 0.3286 0.1898 0.1997 ( 7012 PWs) bands (ev): -10.2733 -10.2733 -9.1295 -9.1295 -7.5283 -7.5283 -7.2452 -7.2452 -7.1541 -7.1541 -6.9753 -6.9753 -3.8788 -3.8788 -2.2751 -2.2751 -0.5454 -0.5454 -0.0642 -0.0642 0.1574 0.1574 0.4758 0.4758 0.9857 0.9857 2.2154 2.2154 2.5449 2.5449 2.7194 2.7194 2.7769 2.7769 3.0294 3.0294 3.1598 3.1598 3.4889 3.4889 3.6264 3.6264 3.7582 3.7582 3.9091 3.9091 4.1532 4.1532 4.3191 4.3191 5.7427 5.7427 5.8643 5.8643 6.0156 6.0156 6.3147 6.3147 6.4470 6.4470 6.4842 6.4842 6.7943 6.7943 6.9305 6.9305 7.3122 7.3122 7.5702 7.5702 8.9813 8.9813 9.0892 9.0892 k = 0.3143 0.1815 0.1910 ( 7014 PWs) bands (ev): -10.2842 -10.2842 -9.1319 -9.1319 -7.5073 -7.5073 -7.2392 -7.2392 -7.1402 -7.1402 -6.9708 -6.9708 -3.9088 -3.9088 -2.2891 -2.2891 -0.5636 -0.5636 -0.0710 -0.0710 0.1431 0.1431 0.4577 0.4577 0.9535 0.9535 2.2583 2.2583 2.5817 2.5817 2.7250 2.7250 2.8191 2.8191 3.0284 3.0284 3.1685 3.1685 3.4837 3.4837 3.6343 3.6343 3.7308 3.7308 3.9175 3.9175 4.1481 4.1481 4.3076 4.3076 5.7681 5.7681 5.8729 5.8729 6.0150 6.0150 6.3160 6.3160 6.4447 6.4447 6.4786 6.4786 6.7954 6.7954 6.9425 6.9425 7.2994 7.2994 7.5581 7.5581 8.9780 8.9780 9.1201 9.1201 k = 0.3000 0.1733 0.1823 ( 7011 PWs) bands (ev): -10.2953 -10.2953 -9.1345 -9.1345 -7.4854 -7.4854 -7.2329 -7.2329 -7.1257 -7.1257 -6.9660 -6.9660 -3.9399 -3.9399 -2.3035 -2.3035 -0.5831 -0.5831 -0.0770 -0.0770 0.1321 0.1321 0.4382 0.4382 0.9189 0.9189 2.2968 2.2968 2.6221 2.6221 2.7184 2.7184 2.8726 2.8726 3.0248 3.0248 3.1844 3.1844 3.4769 3.4769 3.6409 3.6409 3.7080 3.7080 3.9227 3.9227 4.1461 4.1461 4.2967 4.2967 5.7928 5.7928 5.8814 5.8814 6.0144 6.0144 6.3172 6.3172 6.4415 6.4415 6.4730 6.4730 6.7977 6.7977 6.9558 6.9558 7.2878 7.2878 7.5455 7.5455 8.9751 8.9751 9.1445 9.1445 k = 0.2857 0.1650 0.1737 ( 7007 PWs) bands (ev): -10.3067 -10.3067 -9.1371 -9.1371 -7.4628 -7.4628 -7.2263 -7.2263 -7.1109 -7.1109 -6.9611 -6.9611 -3.9720 -3.9720 -2.3184 -2.3184 -0.6036 -0.6036 -0.0821 -0.0821 0.1243 0.1243 0.4176 0.4176 0.8823 0.8823 2.3303 2.3303 2.6635 2.6635 2.7080 2.7080 2.9291 2.9291 3.0188 3.0188 3.2089 3.2089 3.4686 3.4686 3.6450 3.6450 3.6915 3.6915 3.9228 3.9228 4.1487 4.1487 4.2865 4.2865 5.8164 5.8164 5.8899 5.8899 6.0137 6.0137 6.3182 6.3182 6.4372 6.4372 6.4678 6.4678 6.8015 6.8015 6.9699 6.9699 7.2775 7.2775 7.5323 7.5323 8.9722 8.9722 9.1558 9.1558 k = 0.2714 0.1568 0.1650 ( 7004 PWs) bands (ev): -10.3181 -10.3181 -9.1397 -9.1397 -7.4397 -7.4397 -7.2196 -7.2196 -7.0957 -7.0957 -6.9560 -6.9560 -4.0048 -4.0048 -2.3335 -2.3335 -0.6250 -0.6250 -0.0861 -0.0861 0.1194 0.1194 0.3963 0.3963 0.8442 0.8442 2.3580 2.3580 2.6788 2.6788 2.7231 2.7231 2.9837 2.9837 3.0118 3.0118 3.2427 3.2427 3.4596 3.4596 3.6448 3.6448 3.6830 3.6830 3.9168 3.9168 4.1566 4.1566 4.2772 4.2772 5.8388 5.8388 5.8981 5.8981 6.0129 6.0129 6.3191 6.3191 6.4316 6.4316 6.4628 6.4628 6.8075 6.8075 6.9847 6.9847 7.2684 7.2684 7.5189 7.5189 8.9693 8.9693 9.1576 9.1576 k = 0.2571 0.1485 0.1563 ( 7006 PWs) bands (ev): -10.3295 -10.3295 -9.1424 -9.1424 -7.4163 -7.4163 -7.2127 -7.2127 -7.0804 -7.0804 -6.9508 -6.9508 -4.0379 -4.0379 -2.3488 -2.3488 -0.6469 -0.6469 -0.0892 -0.0892 0.1170 0.1170 0.3749 0.3749 0.8051 0.8051 2.3785 2.3785 2.6646 2.6646 2.7693 2.7693 2.9992 2.9992 3.0387 3.0387 3.2842 3.2842 3.4518 3.4518 3.6409 3.6409 3.6821 3.6821 3.9054 3.9054 4.1688 4.1688 4.2691 4.2691 5.8597 5.8597 5.9060 5.9060 6.0121 6.0121 6.3199 6.3199 6.4248 6.4248 6.4580 6.4580 6.8160 6.8160 6.9999 6.9999 7.2603 7.2603 7.5052 7.5052 8.9658 8.9658 9.1558 9.1558 k = 0.2429 0.1403 0.1476 ( 7004 PWs) bands (ev): -10.3408 -10.3408 -9.1451 -9.1451 -7.3926 -7.3926 -7.2058 -7.2058 -7.0651 -7.0651 -6.9456 -6.9456 -4.0712 -4.0712 -2.3640 -2.3640 -0.6692 -0.6692 -0.0913 -0.0913 0.1165 0.1165 0.3540 0.3540 0.7654 0.7654 2.3890 2.3890 2.6511 2.6511 2.8198 2.8198 2.9892 2.9892 3.0857 3.0857 3.3270 3.3270 3.4495 3.4495 3.6372 3.6372 3.6851 3.6851 3.8903 3.8903 4.1831 4.1831 4.2634 4.2634 5.8789 5.8789 5.9136 5.9136 6.0114 6.0114 6.3204 6.3204 6.4171 6.4171 6.4531 6.4531 6.8275 6.8275 7.0154 7.0154 7.2532 7.2532 7.4915 7.4915 8.9612 8.9612 9.1497 9.1497 k = 0.2286 0.1320 0.1389 ( 7006 PWs) bands (ev): -10.3520 -10.3520 -9.1478 -9.1478 -7.3690 -7.3690 -7.1988 -7.1988 -7.0499 -7.0499 -6.9404 -6.9404 -4.1044 -4.1044 -2.3791 -2.3791 -0.6914 -0.6914 -0.0925 -0.0925 0.1171 0.1171 0.3345 0.3345 0.7258 0.7258 2.3870 2.3870 2.6447 2.6447 2.8715 2.8715 2.9784 2.9784 3.1289 3.1289 3.3567 3.3567 3.4630 3.4630 3.6367 3.6367 3.6897 3.6897 3.8743 3.8743 4.1948 4.1948 4.2628 4.2628 5.8963 5.8963 5.9207 5.9207 6.0108 6.0108 6.3207 6.3207 6.4088 6.4088 6.4480 6.4480 6.8419 6.8419 7.0308 7.0308 7.2469 7.2469 7.4779 7.4779 8.9547 8.9547 9.1394 9.1394 k = 0.2143 0.1238 0.1302 ( 7005 PWs) bands (ev): -10.3628 -10.3628 -9.1505 -9.1505 -7.3455 -7.3455 -7.1918 -7.1918 -7.0348 -7.0348 -6.9352 -6.9352 -4.1373 -4.1373 -2.3938 -2.3938 -0.7135 -0.7135 -0.0927 -0.0927 0.1177 0.1177 0.3174 0.3174 0.6865 0.6865 2.3714 2.3714 2.6479 2.6479 2.9219 2.9219 2.9690 2.9690 3.1683 3.1683 3.3648 3.3648 3.4936 3.4936 3.6417 3.6417 3.6959 3.6959 3.8615 3.8615 4.1985 4.1985 4.2714 4.2714 5.9114 5.9114 5.9273 5.9273 6.0106 6.0106 6.3209 6.3209 6.4002 6.4002 6.4425 6.4425 6.8594 6.8594 7.0460 7.0460 7.2413 7.2413 7.4644 7.4644 8.9453 8.9453 9.1260 9.1260 k = 0.2000 0.1155 0.1216 ( 7000 PWs) bands (ev): -10.3733 -10.3733 -9.1531 -9.1531 -7.3223 -7.3223 -7.1849 -7.1849 -7.0201 -7.0201 -6.9301 -6.9301 -4.1696 -4.1696 -2.4082 -2.4082 -0.7350 -0.7350 -0.0922 -0.0922 0.1171 0.1171 0.3038 0.3038 0.6481 0.6481 2.3444 2.3444 2.6599 2.6599 2.9473 2.9473 2.9844 2.9844 3.2033 3.2033 3.3630 3.3630 3.5217 3.5217 3.6515 3.6515 3.7059 3.7059 3.8585 3.8585 4.1935 4.1935 4.2885 4.2885 5.9238 5.9238 5.9337 5.9337 6.0108 6.0108 6.3207 6.3207 6.3916 6.3916 6.4368 6.4368 6.8797 6.8797 7.0609 7.0609 7.2364 7.2364 7.4513 7.4513 8.9319 8.9319 9.1112 9.1112 k = 0.1857 0.1073 0.1129 ( 6995 PWs) bands (ev): -10.3833 -10.3833 -9.1556 -9.1556 -7.2997 -7.2997 -7.1782 -7.1782 -7.0059 -7.0059 -6.9251 -6.9251 -4.2010 -4.2010 -2.4221 -2.4221 -0.7558 -0.7558 -0.0909 -0.0909 0.1141 0.1141 0.2948 0.2948 0.6109 0.6109 2.3096 2.3096 2.6782 2.6782 2.9391 2.9391 3.0330 3.0330 3.2312 3.2312 3.3625 3.3625 3.5352 3.5352 3.6587 3.6587 3.7195 3.7195 3.8754 3.8754 4.1831 4.1831 4.3100 4.3100 5.9323 5.9323 5.9407 5.9407 6.0117 6.0117 6.3203 6.3203 6.3830 6.3830 6.4310 6.4310 6.9025 6.9025 7.0753 7.0753 7.2323 7.2323 7.4386 7.4386 8.9138 8.9138 9.0963 9.0963 k = 0.1714 0.0990 0.1042 ( 6998 PWs) bands (ev): -10.3929 -10.3929 -9.1580 -9.1580 -7.2778 -7.2778 -7.1717 -7.1717 -6.9923 -6.9923 -6.9203 -6.9203 -4.2313 -4.2313 -2.4353 -2.4353 -0.7757 -0.7757 -0.0891 -0.0891 0.1079 0.1079 0.2909 0.2909 0.5754 0.5754 2.2701 2.2701 2.7005 2.7005 2.9283 2.9283 3.0833 3.0833 3.2478 3.2478 3.3706 3.3706 3.5361 3.5361 3.6598 3.6598 3.7294 3.7294 3.9177 3.9177 4.1694 4.1694 4.3330 4.3330 5.9372 5.9372 5.9479 5.9479 6.0134 6.0134 6.3196 6.3196 6.3746 6.3746 6.4254 6.4254 6.9272 6.9272 7.0891 7.0891 7.2291 7.2291 7.4263 7.4263 8.8905 8.8905 9.0820 9.0820 k = 0.1571 0.0908 0.0955 ( 6995 PWs) bands (ev): -10.4020 -10.4020 -9.1602 -9.1602 -7.2567 -7.2567 -7.1654 -7.1654 -6.9793 -6.9793 -6.9156 -6.9156 -4.2602 -4.2602 -2.4477 -2.4477 -0.7945 -0.7945 -0.0868 -0.0868 0.0986 0.0986 0.2920 0.2920 0.5421 0.5421 2.2284 2.2284 2.7253 2.7253 2.9174 2.9174 3.1321 3.1321 3.2522 3.2522 3.3881 3.3881 3.5296 3.5296 3.6576 3.6576 3.7339 3.7339 3.9777 3.9777 4.1535 4.1535 4.3562 4.3562 5.9398 5.9398 5.9542 5.9542 6.0158 6.0158 6.3187 6.3187 6.3664 6.3664 6.4201 6.4201 6.9532 6.9532 7.1022 7.1022 7.2270 7.2270 7.4145 7.4145 8.8625 8.8625 9.0683 9.0683 k = 0.1429 0.0825 0.0868 ( 6991 PWs) bands (ev): -10.4104 -10.4104 -9.1624 -9.1624 -7.2368 -7.2368 -7.1594 -7.1594 -6.9672 -6.9672 -6.9112 -6.9112 -4.2876 -4.2876 -2.4594 -2.4594 -0.8121 -0.8121 -0.0841 -0.0841 0.0870 0.0870 0.2967 0.2967 0.5114 0.5114 2.1861 2.1861 2.7517 2.7517 2.9070 2.9070 3.1768 3.1768 3.2503 3.2503 3.4081 3.4081 3.5219 3.5219 3.6551 3.6551 3.7361 3.7361 4.0443 4.0443 4.1372 4.1372 4.3787 4.3787 5.9407 5.9407 5.9594 5.9594 6.0186 6.0186 6.3175 6.3175 6.3587 6.3587 6.4154 6.4154 6.9793 6.9793 7.1147 7.1147 7.2265 7.2265 7.4031 7.4031 8.8307 8.8307 9.0548 9.0548 k = 0.1286 0.0743 0.0781 ( 6983 PWs) bands (ev): -10.4182 -10.4182 -9.1644 -9.1644 -7.2181 -7.2181 -7.1539 -7.1539 -6.9559 -6.9559 -6.9070 -6.9070 -4.3132 -4.3132 -2.4702 -2.4702 -0.8283 -0.8283 -0.0814 -0.0814 0.0741 0.0741 0.3034 0.3034 0.4842 0.4842 2.1445 2.1445 2.7791 2.7791 2.8973 2.8973 3.2078 3.2078 3.2548 3.2548 3.4199 3.4199 3.5221 3.5221 3.6536 3.6536 3.7377 3.7377 4.0936 4.0936 4.1382 4.1382 4.4003 4.4003 5.9403 5.9403 5.9635 5.9635 6.0213 6.0213 6.3160 6.3160 6.3516 6.3516 6.4113 6.4113 7.0044 7.0044 7.1267 7.1267 7.2280 7.2280 7.3922 7.3922 8.7963 8.7963 9.0407 9.0407 k = 0.1143 0.0660 0.0695 ( 6982 PWs) bands (ev): -10.4252 -10.4252 -9.1662 -9.1662 -7.2008 -7.2008 -7.1487 -7.1487 -6.9457 -6.9457 -6.9031 -6.9031 -4.3367 -4.3367 -2.4799 -2.4799 -0.8430 -0.8430 -0.0787 -0.0787 0.0611 0.0611 0.3103 0.3103 0.4612 0.4612 2.1045 2.1045 2.8068 2.8068 2.8888 2.8888 3.2118 3.2118 3.2785 3.2785 3.4190 3.4190 3.5364 3.5364 3.6534 3.6534 3.7390 3.7390 4.0834 4.0834 4.1953 4.1953 4.4205 4.4205 5.9388 5.9388 5.9668 5.9668 6.0238 6.0238 6.3142 6.3142 6.3450 6.3450 6.4079 6.4079 7.0270 7.0270 7.1388 7.1388 7.2318 7.2318 7.3816 7.3816 8.7608 8.7608 9.0258 9.0258 k = 0.1000 0.0578 0.0608 ( 6976 PWs) bands (ev): -10.4316 -10.4316 -9.1678 -9.1678 -7.1851 -7.1851 -7.1440 -7.1440 -6.9365 -6.9365 -6.8995 -6.8995 -4.3580 -4.3580 -2.4887 -2.4887 -0.8562 -0.8562 -0.0763 -0.0763 0.0487 0.0487 0.3154 0.3154 0.4436 0.4436 2.0672 2.0672 2.8335 2.8335 2.8828 2.8828 3.2047 3.2047 3.2992 3.2992 3.4174 3.4174 3.5595 3.5595 3.6546 3.6546 3.7404 3.7404 4.0608 4.0608 4.2591 4.2591 4.4394 4.4394 5.9366 5.9366 5.9695 5.9695 6.0257 6.0257 6.3122 6.3122 6.3394 6.3394 6.4053 6.4053 7.0455 7.0455 7.1516 7.1516 7.2382 7.2382 7.3715 7.3715 8.7256 8.7256 9.0098 9.0098 k = 0.0857 0.0495 0.0521 ( 6968 PWs) bands (ev): -10.4371 -10.4371 -9.1693 -9.1693 -7.1712 -7.1712 -7.1398 -7.1398 -6.9285 -6.9285 -6.8963 -6.8963 -4.3769 -4.3769 -2.4964 -2.4964 -0.8678 -0.8678 -0.0743 -0.0743 0.0377 0.0377 0.3169 0.3169 0.4326 0.4326 2.0331 2.0331 2.8530 2.8530 2.8852 2.8852 3.1957 3.1957 3.2990 3.2990 3.4307 3.4307 3.5846 3.5846 3.6573 3.6573 3.7416 3.7416 4.0355 4.0355 4.3182 4.3182 4.4571 4.4571 5.9339 5.9339 5.9715 5.9715 6.0271 6.0271 6.3100 6.3100 6.3346 6.3346 6.4032 6.4032 7.0591 7.0591 7.1654 7.1654 7.2469 7.2469 7.3619 7.3619 8.6920 8.6920 8.9930 8.9930 k = 0.0714 0.0413 0.0434 ( 6965 PWs) bands (ev): -10.4419 -10.4419 -9.1705 -9.1705 -7.1592 -7.1592 -7.1360 -7.1360 -6.9217 -6.9217 -6.8934 -6.8934 -4.3932 -4.3932 -2.5029 -2.5029 -0.8777 -0.8777 -0.0728 -0.0728 0.0283 0.0283 0.3144 0.3144 0.4279 0.4279 2.0029 2.0029 2.8561 2.8561 2.9052 2.9052 3.1870 3.1870 3.2809 3.2809 3.4571 3.4571 3.6074 3.6074 3.6623 3.6623 3.7429 3.7429 4.0091 4.0091 4.3693 4.3693 4.4742 4.4742 5.9310 5.9310 5.9730 5.9730 6.0280 6.0280 6.3076 6.3076 6.3310 6.3310 6.4017 6.4017 7.0681 7.0681 7.1796 7.1796 7.2571 7.2571 7.3529 7.3529 8.6612 8.6612 8.9760 8.9760 k = 0.0571 0.0330 0.0347 ( 6970 PWs) bands (ev): -10.4458 -10.4458 -9.1715 -9.1715 -7.1493 -7.1493 -7.1329 -7.1329 -6.9162 -6.9162 -6.8909 -6.8909 -4.4067 -4.4067 -2.5083 -2.5083 -0.8858 -0.8858 -0.0720 -0.0720 0.0208 0.0208 0.3090 0.3090 0.4281 0.4281 1.9774 1.9774 2.8529 2.8529 2.9323 2.9323 3.1791 3.1791 3.2553 3.2553 3.4867 3.4867 3.6249 3.6249 3.6710 3.6710 3.7441 3.7441 3.9824 3.9824 4.4101 4.4101 4.4915 4.4915 5.9281 5.9281 5.9740 5.9740 6.0285 6.0285 6.3051 6.3051 6.3283 6.3283 6.4006 6.4006 7.0733 7.0733 7.1933 7.1933 7.2677 7.2677 7.3450 7.3450 8.6343 8.6343 8.9598 8.9598 k = 0.0429 0.0248 0.0260 ( 6973 PWs) bands (ev): -10.4489 -10.4489 -9.1723 -9.1723 -7.1417 -7.1417 -7.1301 -7.1301 -6.9120 -6.9120 -6.8889 -6.8889 -4.4174 -4.4174 -2.5125 -2.5125 -0.8922 -0.8922 -0.0716 -0.0716 0.0153 0.0153 0.3027 0.3027 0.4307 0.4307 1.9569 1.9569 2.8494 2.8494 2.9598 2.9598 3.1719 3.1719 3.2285 3.2285 3.5136 3.5136 3.6358 3.6358 3.6836 3.6836 3.7454 3.7454 3.9569 3.9569 4.4387 4.4387 4.5094 4.5094 5.9256 5.9256 5.9747 5.9747 6.0287 6.0287 6.3029 6.3029 6.3264 6.3264 6.3998 6.3998 7.0761 7.0761 7.2055 7.2055 7.2768 7.2768 7.3387 7.3387 8.6124 8.6124 8.9455 8.9455 k = 0.0286 0.0165 0.0174 ( 6972 PWs) bands (ev): -10.4511 -10.4511 -9.1729 -9.1729 -7.1365 -7.1365 -7.1279 -7.1279 -6.9090 -6.9090 -6.8874 -6.8874 -4.4251 -4.4251 -2.5156 -2.5156 -0.8968 -0.8968 -0.0717 -0.0717 0.0116 0.0116 0.2972 0.2972 0.4338 0.4338 1.9419 1.9419 2.8465 2.8465 2.9849 2.9849 3.1649 3.1649 3.2050 3.2050 3.5348 3.5348 3.6417 3.6417 3.6972 3.6972 3.7470 3.7470 3.9345 3.9345 4.4561 4.4561 4.5262 4.5262 5.9236 5.9236 5.9750 5.9750 6.0288 6.0288 6.3011 6.3011 6.3252 6.3252 6.3994 6.3994 7.0775 7.0775 7.2153 7.2153 7.2829 7.2829 7.3348 7.3348 8.5962 8.5962 8.9342 8.9342 k = 0.0143 0.0083 0.0087 ( 6968 PWs) bands (ev): -10.4524 -10.4524 -9.1732 -9.1732 -7.1336 -7.1336 -7.1263 -7.1263 -6.9072 -6.9072 -6.8864 -6.8864 -4.4298 -4.4298 -2.5174 -2.5174 -0.8995 -0.8995 -0.0718 -0.0718 0.0095 0.0095 0.2936 0.2936 0.4361 0.4361 1.9328 1.9328 2.8448 2.8448 3.0040 3.0040 3.1575 3.1575 3.1898 3.1898 3.5481 3.5481 3.6447 3.6447 3.7074 3.7074 3.7486 3.7486 3.9186 3.9186 4.4650 4.4650 4.5381 4.5381 5.9223 5.9223 5.9752 5.9752 6.0289 6.0289 6.3000 6.3000 6.3246 6.3246 6.3991 6.3991 7.0781 7.0781 7.2220 7.2220 7.2857 7.2857 7.3331 7.3331 8.5862 8.5862 8.9270 8.9270 k = 0.0000 0.0000 0.0000 ( 6967 PWs) bands (ev): -10.4529 -10.4529 -9.1734 -9.1734 -7.1327 -7.1327 -7.1256 -7.1256 -6.9066 -6.9066 -6.8861 -6.8861 -4.4313 -4.4313 -2.5180 -2.5180 -0.9004 -0.9004 -0.0719 -0.0719 0.0089 0.0089 0.2923 0.2923 0.4370 0.4370 1.9297 1.9297 2.8442 2.8442 3.0116 3.0116 3.1536 3.1536 3.1850 3.1850 3.5527 3.5527 3.6457 3.6457 3.7112 3.7112 3.7494 3.7494 3.9126 3.9126 4.4677 4.4677 4.5424 4.5424 5.9218 5.9218 5.9753 5.9753 6.0289 6.0289 6.2996 6.2996 6.3244 6.3244 6.3990 6.3990 7.0783 7.0783 7.2244 7.2244 7.2863 7.2863 7.3328 7.3328 8.5829 8.5829 8.9245 8.9245 Writing output data file FePS3.save init_run : 0.45s CPU 0.61s WALL ( 1 calls) electrons : 412.16s CPU 416.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 412.15s CPU 416.41s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.17s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.20s WALL ( 295 calls) cegterg : 378.86s CPU 382.26s WALL ( 583 calls) Called by sum_band: Called by *egterg: h_psi : 231.62s CPU 234.09s WALL ( 8226 calls) s_psi : 27.48s CPU 27.54s WALL ( 8226 calls) g_psi : 0.66s CPU 0.64s WALL ( 7348 calls) cdiaghg : 95.08s CPU 96.31s WALL ( 7643 calls) cegterg:over : 18.56s CPU 18.64s WALL ( 7348 calls) cegterg:upda : 15.02s CPU 15.04s WALL ( 7348 calls) cegterg:last : 8.96s CPU 9.07s WALL ( 1468 calls) cdiaghg:chol : 5.57s CPU 5.62s WALL ( 7643 calls) cdiaghg:inve : 3.99s CPU 4.04s WALL ( 7643 calls) cdiaghg:para : 6.98s CPU 6.98s WALL ( 15286 calls) Called by h_psi: h_psi:vloc : 174.57s CPU 176.70s WALL ( 8226 calls) h_psi:vnl : 56.27s CPU 56.62s WALL ( 8226 calls) add_vuspsi : 30.85s CPU 31.08s WALL ( 8226 calls) General routines calbec : 25.38s CPU 25.52s WALL ( 8226 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 164.43s CPU 166.61s WALL ( 1311796 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.39s WALL ( 590 calls) Parallel routines fft_scatter : 51.00s CPU 51.92s WALL ( 1311819 calls) PWSCF : 7m18.98s CPU 7m39.96s WALL This run was terminated on: 18:26:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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