Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9: 2:58 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./RbSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 15 4 1584 619 93 Max 30 16 5 1592 640 104 Sum 2143 1151 325 114317 45467 7075 bravais-lattice index = 14 lattice parameter (alat) = 13.8215 a.u. unit-cell volume = 1623.9980 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.821524 celldm(2)= 1.000000 celldm(3)= 1.169942 celldm(4)= 0.239333 celldm(5)= 0.239333 celldm(6)= 0.839802 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.839802 0.542892 0.000000 ) a(3) = ( 0.280005 0.082625 1.132932 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.546903 -0.134336 ) b(2) = ( 0.000000 1.841985 -0.134336 ) b(3) = ( 0.000000 0.000000 0.882665 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Sb 5.00 121.76000 Sb( 1.00) Rb 9.00 85.46780 Rb( 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= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0208333 0.0061475 -0.0055973), wk = 0.0032154 k( 3) = ( 0.0416667 0.0122951 -0.0111946), wk = 0.0032154 k( 4) = ( 0.0625000 0.0184426 -0.0167920), wk = 0.0032154 k( 5) = ( 0.0833333 0.0245902 -0.0223893), wk = 0.0032154 k( 6) = ( 0.1041667 0.0307377 -0.0279866), wk = 0.0032154 k( 7) = ( 0.1250000 0.0368852 -0.0335839), wk = 0.0032154 k( 8) = ( 0.1458333 0.0430328 -0.0391813), wk = 0.0032154 k( 9) = ( 0.1666667 0.0491803 -0.0447786), wk = 0.0032154 k( 10) = ( 0.1875000 0.0553279 -0.0503759), wk = 0.0032154 k( 11) = ( 0.2083333 0.0614754 -0.0559732), wk = 0.0032154 k( 12) = ( 0.2291667 0.0676230 -0.0615705), wk = 0.0032154 k( 13) = ( 0.2500000 0.0737705 -0.0671679), wk = 0.0032154 k( 14) = ( 0.2708333 0.0799180 -0.0727652), wk = 0.0032154 k( 15) = ( 0.2916667 0.0860656 -0.0783625), wk = 0.0032154 k( 16) = ( 0.3125000 0.0922131 -0.0839598), wk = 0.0032154 k( 17) = ( 0.3333333 0.0983607 -0.0895572), wk = 0.0032154 k( 18) = ( 0.3541667 0.1045082 -0.0951545), wk = 0.0032154 k( 19) = ( 0.3750000 0.1106557 -0.1007518), wk = 0.0032154 k( 20) = ( 0.3958333 0.1168033 -0.1063491), wk = 0.0032154 k( 21) = ( 0.4166667 0.1229508 -0.1119464), wk = 0.0032154 k( 22) = ( 0.4375000 0.1290984 -0.1175438), wk = 0.0032154 k( 23) = ( 0.4583333 0.1352459 -0.1231411), wk = 0.0032154 k( 24) = ( 0.4791667 0.1413934 -0.1287384), wk = 0.0032154 k( 25) = ( 0.5000000 0.1475410 -0.1343357), wk = 0.0032154 k( 26) = ( 0.5000000 0.1475410 -0.1343357), wk = 0.0032154 k( 27) = ( 0.5054196 0.1491402 -0.1124074), wk = 0.0032154 k( 28) = ( 0.5108392 0.1507394 -0.0904790), wk = 0.0032154 k( 29) = ( 0.5162589 0.1523387 -0.0685507), wk = 0.0032154 k( 30) = ( 0.5216785 0.1539379 -0.0466223), wk = 0.0032154 k( 31) = ( 0.5270981 0.1555371 -0.0246939), wk = 0.0032154 k( 32) = ( 0.5325177 0.1571364 -0.0027656), wk = 0.0032154 k( 33) = ( 0.5379373 0.1587356 0.0191628), wk = 0.0032154 k( 34) = ( 0.5433570 0.1603348 0.0410911), wk = 0.0032154 k( 35) = ( 0.5487766 0.1619341 0.0630195), wk = 0.0032154 k( 36) = ( 0.5541962 0.1635333 0.0849478), wk = 0.0032154 k( 37) = ( 0.5596158 0.1651325 0.1068762), wk = 0.0032154 k( 38) = ( 0.5650354 0.1667318 0.1288046), wk = 0.0032154 k( 39) = ( 0.5704550 0.1683310 0.1507329), wk = 0.0032154 k( 40) = ( 0.5758747 0.1699302 0.1726613), wk = 0.0032154 k( 41) = ( 0.5758747 0.1699302 0.1726613), wk = 0.0032154 k( 42) = ( 0.5650354 0.1667318 0.1918521), wk = 0.0032154 k( 43) = ( 0.5541962 0.1635333 0.2110429), wk = 0.0032154 k( 44) = ( 0.5433570 0.1603348 0.2302337), wk = 0.0032154 k( 45) = ( 0.5325177 0.1571364 0.2494245), wk = 0.0032154 k( 46) = ( 0.5216785 0.1539379 0.2686154), wk = 0.0032154 k( 47) = ( 0.5108392 0.1507394 0.2878062), wk = 0.0032154 k( 48) = ( 0.5000000 0.1475410 0.3069970), wk = 0.0032154 k( 49) = ( 0.5000000 0.1475410 0.3069970), wk = 0.0032154 k( 50) = ( 0.5065634 0.1252982 0.3069970), wk = 0.0032154 k( 51) = ( 0.5131269 0.1030554 0.3069970), wk = 0.0032154 k( 52) = ( 0.5196903 0.0808127 0.3069970), wk = 0.0032154 k( 53) = ( 0.5262537 0.0585699 0.3069970), wk = 0.0032154 k( 54) = ( 0.5328172 0.0363272 0.3069970), wk = 0.0032154 k( 55) = ( 0.5393806 0.0140844 0.3069970), wk = 0.0032154 k( 56) = ( 0.5459441 -0.0081584 0.3069970), wk = 0.0032154 k( 57) = ( 0.5525075 -0.0304011 0.3069970), wk = 0.0032154 k( 58) = ( 0.5590709 -0.0526439 0.3069970), wk = 0.0032154 k( 59) = ( 0.5656344 -0.0748867 0.3069970), wk = 0.0032154 k( 60) = ( 0.5721978 -0.0971294 0.3069970), wk = 0.0032154 k( 61) = ( 0.5787613 -0.1193722 0.3069970), wk = 0.0032154 k( 62) = ( 0.5853247 -0.1416149 0.3069970), wk = 0.0032154 k( 63) = ( 0.5918881 -0.1638577 0.3069970), wk = 0.0032154 k( 64) = ( 0.5984516 -0.1861005 0.3069970), wk = 0.0032154 k( 65) = ( 0.6050150 -0.2083433 0.3069970), wk = 0.0032154 k( 66) = ( 0.6115785 -0.2305860 0.3069970), wk = 0.0032154 k( 67) = ( 0.6181419 -0.2528288 0.3069970), wk = 0.0032154 k( 68) = ( 0.6247053 -0.2750716 0.3069970), wk = 0.0032154 k( 69) = ( 0.6312688 -0.2973143 0.3069970), wk = 0.0032154 k( 70) = ( 0.6378322 -0.3195571 0.3069970), wk = 0.0032154 k( 71) = ( 0.6443956 -0.3417998 0.3069970), wk = 0.0032154 k( 72) = ( 0.6509591 -0.3640426 0.3069970), wk = 0.0032154 k( 73) = ( 0.6575225 -0.3862854 0.3069970), wk = 0.0032154 k( 74) = ( 0.6640860 -0.4085281 0.3069970), wk = 0.0032154 k( 75) = ( 0.6706494 -0.4307709 0.3069970), wk = 0.0032154 k( 76) = ( 0.6772128 -0.4530136 0.3069970), wk = 0.0032154 k( 77) = ( 0.6837763 -0.4752564 0.3069970), wk = 0.0032154 k( 78) = ( 0.6903397 -0.4974992 0.3069970), wk = 0.0032154 k( 79) = ( 0.6969032 -0.5197419 0.3069970), wk = 0.0032154 k( 80) = ( 0.7034666 -0.5419847 0.3069970), wk = 0.0032154 k( 81) = ( 0.7100300 -0.5642275 0.3069970), wk = 0.0032154 k( 82) = ( 0.7165935 -0.5864703 0.3069970), wk = 0.0032154 k( 83) = ( 0.7231569 -0.6087130 0.3069970), wk = 0.0032154 k( 84) = ( 0.7297204 -0.6309558 0.3069970), wk = 0.0032154 k( 85) = ( 0.7362838 -0.6531985 0.3069970), wk = 0.0032154 k( 86) = ( 0.2637162 -0.8937049 0.4413327), wk = 0.0032154 k( 87) = ( 0.2572841 -0.8719072 0.4413327), wk = 0.0032154 k( 88) = ( 0.2508520 -0.8501096 0.4413327), wk = 0.0032154 k( 89) = ( 0.2444199 -0.8283119 0.4413327), wk = 0.0032154 k( 90) = ( 0.2379878 -0.8065142 0.4413327), wk = 0.0032154 k( 91) = ( 0.2315557 -0.7847165 0.4413327), wk = 0.0032154 k( 92) = ( 0.2251236 -0.7629188 0.4413327), wk = 0.0032154 k( 93) = ( 0.2186915 -0.7411212 0.4413327), wk = 0.0032154 k( 94) = ( 0.2122594 -0.7193235 0.4413327), wk = 0.0032154 k( 95) = ( 0.2058273 -0.6975258 0.4413327), wk = 0.0032154 k( 96) = ( 0.1993952 -0.6757281 0.4413327), wk = 0.0032154 k( 97) = ( 0.1929631 -0.6539304 0.4413327), wk = 0.0032154 k( 98) = ( 0.1865310 -0.6321328 0.4413327), wk = 0.0032154 k( 99) = ( 0.1800989 -0.6103351 0.4413327), wk = 0.0032154 k( 100) = ( 0.1736668 -0.5885374 0.4413327), wk = 0.0032154 k( 101) = ( 0.1672347 -0.5667397 0.4413327), wk = 0.0032154 k( 102) = ( 0.1608026 -0.5449420 0.4413327), wk = 0.0032154 k( 103) = ( 0.1543705 -0.5231443 0.4413327), wk = 0.0032154 k( 104) = ( 0.1479384 -0.5013467 0.4413327), wk = 0.0032154 k( 105) = ( 0.1415063 -0.4795490 0.4413327), wk = 0.0032154 k( 106) = ( 0.1350742 -0.4577513 0.4413327), wk = 0.0032154 k( 107) = ( 0.1286421 -0.4359536 0.4413327), wk = 0.0032154 k( 108) = ( 0.1222099 -0.4141559 0.4413327), wk = 0.0032154 k( 109) = ( 0.1157779 -0.3923583 0.4413327), wk = 0.0032154 k( 110) = ( 0.1093457 -0.3705606 0.4413327), wk = 0.0032154 k( 111) = ( 0.1029136 -0.3487629 0.4413327), wk = 0.0032154 k( 112) = ( 0.0964815 -0.3269652 0.4413327), wk = 0.0032154 k( 113) = ( 0.0900494 -0.3051675 0.4413327), wk = 0.0032154 k( 114) = ( 0.0836173 -0.2833698 0.4413327), wk = 0.0032154 k( 115) = ( 0.0771852 -0.2615722 0.4413327), wk = 0.0032154 k( 116) = ( 0.0707531 -0.2397745 0.4413327), wk = 0.0032154 k( 117) = ( 0.0643210 -0.2179768 0.4413327), wk = 0.0032154 k( 118) = ( 0.0578889 -0.1961791 0.4413327), wk = 0.0032154 k( 119) = ( 0.0514568 -0.1743814 0.4413327), wk = 0.0032154 k( 120) = ( 0.0450247 -0.1525838 0.4413327), wk = 0.0032154 k( 121) = ( 0.0385926 -0.1307861 0.4413327), wk = 0.0032154 k( 122) = ( 0.0321605 -0.1089884 0.4413327), wk = 0.0032154 k( 123) = ( 0.0257284 -0.0871907 0.4413327), wk = 0.0032154 k( 124) = ( 0.0192963 -0.0653931 0.4413327), wk = 0.0032154 k( 125) = ( 0.0128642 -0.0435954 0.4413327), wk = 0.0032154 k( 126) = ( 0.0064321 -0.0217977 0.4413327), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.4413327), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.4413327), wk = 0.0032154 k( 129) = ( 0.0223224 0.0065869 0.4413327), wk = 0.0032154 k( 130) = ( 0.0446448 0.0131739 0.4413327), wk = 0.0032154 k( 131) = ( 0.0669672 0.0197608 0.4413327), wk = 0.0032154 k( 132) = ( 0.0892895 0.0263477 0.4413327), wk = 0.0032154 k( 133) = ( 0.1116119 0.0329347 0.4413327), wk = 0.0032154 k( 134) = ( 0.1339343 0.0395216 0.4413327), wk = 0.0032154 k( 135) = ( 0.1562567 0.0461085 0.4413327), wk = 0.0032154 k( 136) = ( 0.1785791 0.0526955 0.4413327), wk = 0.0032154 k( 137) = ( 0.2009015 0.0592824 0.4413327), wk = 0.0032154 k( 138) = ( 0.2232239 0.0658693 0.4413327), wk = 0.0032154 k( 139) = ( 0.2455462 0.0724563 0.4413327), wk = 0.0032154 k( 140) = ( 0.2678686 0.0790432 0.4413327), wk = 0.0032154 k( 141) = ( 0.2901910 0.0856301 0.4413327), wk = 0.0032154 k( 142) = ( 0.3125134 0.0922171 0.4413327), wk = 0.0032154 k( 143) = ( 0.3348358 0.0988040 0.4413327), wk = 0.0032154 k( 144) = ( 0.3571582 0.1053909 0.4413327), wk = 0.0032154 k( 145) = ( 0.3794806 0.1119779 0.4413327), wk = 0.0032154 k( 146) = ( 0.4018029 0.1185648 0.4413327), wk = 0.0032154 k( 147) = ( 0.4241253 0.1251517 0.4413327), wk = 0.0032154 k( 148) = ( 0.5000000 0.1475410 -0.1343357), wk = 0.0032154 k( 149) = ( 0.5064796 0.1255823 -0.1343357), wk = 0.0032154 k( 150) = ( 0.5129592 0.1036237 -0.1343357), wk = 0.0032154 k( 151) = ( 0.5194388 0.0816650 -0.1343357), wk = 0.0032154 k( 152) = ( 0.5259184 0.0597063 -0.1343357), wk = 0.0032154 k( 153) = ( 0.5323980 0.0377477 -0.1343357), wk = 0.0032154 k( 154) = ( 0.5388776 0.0157890 -0.1343357), wk = 0.0032154 k( 155) = ( 0.5453572 -0.0061697 -0.1343357), wk = 0.0032154 k( 156) = ( 0.5518368 -0.0281283 -0.1343357), wk = 0.0032154 k( 157) = ( 0.5583164 -0.0500870 -0.1343357), wk = 0.0032154 k( 158) = ( 0.5647960 -0.0720456 -0.1343357), wk = 0.0032154 k( 159) = ( 0.5712757 -0.0940043 -0.1343357), wk = 0.0032154 k( 160) = ( 0.5777553 -0.1159630 -0.1343357), wk = 0.0032154 k( 161) = ( 0.5842349 -0.1379216 -0.1343357), wk = 0.0032154 k( 162) = ( 0.5907145 -0.1598803 -0.1343357), wk = 0.0032154 k( 163) = ( 0.5971941 -0.1818390 -0.1343357), wk = 0.0032154 k( 164) = ( 0.6036737 -0.2037976 -0.1343357), wk = 0.0032154 k( 165) = ( 0.6101533 -0.2257563 -0.1343357), wk = 0.0032154 k( 166) = ( 0.6166329 -0.2477150 -0.1343357), wk = 0.0032154 k( 167) = ( 0.6231125 -0.2696736 -0.1343357), wk = 0.0032154 k( 168) = ( 0.6295921 -0.2916323 -0.1343357), wk = 0.0032154 k( 169) = ( 0.6360717 -0.3135909 -0.1343357), wk = 0.0032154 k( 170) = ( 0.6425513 -0.3355496 -0.1343357), wk = 0.0032154 k( 171) = ( 0.6490309 -0.3575082 -0.1343357), wk = 0.0032154 k( 172) = ( 0.6555105 -0.3794669 -0.1343357), wk = 0.0032154 k( 173) = ( 0.6619901 -0.4014256 -0.1343357), wk = 0.0032154 k( 174) = ( 0.6684697 -0.4233842 -0.1343357), wk = 0.0032154 k( 175) = ( 0.6749493 -0.4453429 -0.1343357), wk = 0.0032154 k( 176) = ( 0.6814290 -0.4673016 -0.1343357), wk = 0.0032154 k( 177) = ( 0.6879085 -0.4892602 -0.1343357), wk = 0.0032154 k( 178) = ( 0.6943882 -0.5112189 -0.1343357), wk = 0.0032154 k( 179) = ( 0.7008678 -0.5331776 -0.1343357), wk = 0.0032154 k( 180) = ( 0.7073474 -0.5551362 -0.1343357), wk = 0.0032154 k( 181) = ( 0.7138270 -0.5770949 -0.1343357), wk = 0.0032154 k( 182) = ( 0.7203066 -0.5990535 -0.1343357), wk = 0.0032154 k( 183) = ( 0.7267862 -0.6210122 -0.1343357), wk = 0.0032154 k( 184) = ( 0.2732138 -0.9258912 -0.0000000), wk = 0.0032154 k( 185) = ( 0.2667087 -0.9038462 -0.0000000), wk = 0.0032154 k( 186) = ( 0.2602036 -0.8818012 -0.0000000), wk = 0.0032154 k( 187) = ( 0.2536985 -0.8597562 -0.0000000), wk = 0.0032154 k( 188) = ( 0.2471935 -0.8377111 -0.0000000), wk = 0.0032154 k( 189) = ( 0.2406884 -0.8156661 -0.0000000), wk = 0.0032154 k( 190) = ( 0.2341833 -0.7936211 -0.0000000), wk = 0.0032154 k( 191) = ( 0.2276782 -0.7715761 -0.0000000), wk = 0.0032154 k( 192) = ( 0.2211731 -0.7495310 -0.0000000), wk = 0.0032154 k( 193) = ( 0.2146680 -0.7274860 -0.0000000), wk = 0.0032154 k( 194) = ( 0.2081629 -0.7054410 -0.0000000), wk = 0.0032154 k( 195) = ( 0.2016578 -0.6833959 -0.0000000), wk = 0.0032154 k( 196) = ( 0.1951527 -0.6613509 -0.0000000), wk = 0.0032154 k( 197) = ( 0.1886476 -0.6393059 -0.0000000), wk = 0.0032154 k( 198) = ( 0.1821425 -0.6172608 -0.0000000), wk = 0.0032154 k( 199) = ( 0.1756375 -0.5952158 -0.0000000), wk = 0.0032154 k( 200) = ( 0.1691324 -0.5731708 -0.0000000), wk = 0.0032154 k( 201) = ( 0.1626273 -0.5511257 -0.0000000), wk = 0.0032154 k( 202) = ( 0.1561222 -0.5290807 -0.0000000), wk = 0.0032154 k( 203) = ( 0.1496171 -0.5070357 -0.0000000), wk = 0.0032154 k( 204) = ( 0.1431120 -0.4849907 -0.0000000), wk = 0.0032154 k( 205) = ( 0.1366069 -0.4629456 -0.0000000), wk = 0.0032154 k( 206) = ( 0.1301018 -0.4409006 -0.0000000), wk = 0.0032154 k( 207) = ( 0.1235967 -0.4188556 -0.0000000), wk = 0.0032154 k( 208) = ( 0.1170916 -0.3968105 -0.0000000), wk = 0.0032154 k( 209) = ( 0.1105865 -0.3747655 -0.0000000), wk = 0.0032154 k( 210) = ( 0.1040815 -0.3527205 -0.0000000), wk = 0.0032154 k( 211) = ( 0.0975764 -0.3306754 -0.0000000), wk = 0.0032154 k( 212) = ( 0.0910713 -0.3086304 -0.0000000), wk = 0.0032154 k( 213) = ( 0.0845662 -0.2865854 -0.0000000), wk = 0.0032154 k( 214) = ( 0.0780611 -0.2645404 -0.0000000), wk = 0.0032154 k( 215) = ( 0.0715560 -0.2424953 -0.0000000), wk = 0.0032154 k( 216) = ( 0.0650509 -0.2204503 -0.0000000), wk = 0.0032154 k( 217) = ( 0.0585458 -0.1984053 -0.0000000), wk = 0.0032154 k( 218) = ( 0.0520407 -0.1763603 -0.0000000), wk = 0.0032154 k( 219) = ( 0.0455356 -0.1543152 -0.0000000), wk = 0.0032154 k( 220) = ( 0.0390305 -0.1322702 -0.0000000), wk = 0.0032154 k( 221) = ( 0.0325254 -0.1102251 -0.0000000), wk = 0.0032154 k( 222) = ( 0.0260204 -0.0881801 -0.0000000), wk = 0.0032154 k( 223) = ( 0.0195153 -0.0661351 -0.0000000), wk = 0.0032154 k( 224) = ( 0.0130102 -0.0440901 -0.0000000), wk = 0.0032154 k( 225) = ( 0.0065051 -0.0220450 -0.0000000), wk = 0.0032154 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 228) = ( 0.0125000 -0.0193363 -0.0016792), wk = 0.0032154 k( 229) = ( 0.0250000 -0.0386726 -0.0033584), wk = 0.0032154 k( 230) = ( 0.0375000 -0.0580089 -0.0050376), wk = 0.0032154 k( 231) = ( 0.0500000 -0.0773452 -0.0067168), wk = 0.0032154 k( 232) = ( 0.0625000 -0.0966815 -0.0083960), wk = 0.0032154 k( 233) = ( 0.0750000 -0.1160178 -0.0100752), wk = 0.0032154 k( 234) = ( 0.0875000 -0.1353541 -0.0117544), wk = 0.0032154 k( 235) = ( 0.1000000 -0.1546903 -0.0134336), wk = 0.0032154 k( 236) = ( 0.1125000 -0.1740266 -0.0151128), wk = 0.0032154 k( 237) = ( 0.1250000 -0.1933629 -0.0167920), wk = 0.0032154 k( 238) = ( 0.1375000 -0.2126992 -0.0184712), wk = 0.0032154 k( 239) = ( 0.1500000 -0.2320355 -0.0201504), wk = 0.0032154 k( 240) = ( 0.1625000 -0.2513718 -0.0218296), wk = 0.0032154 k( 241) = ( 0.1750000 -0.2707081 -0.0235088), wk = 0.0032154 k( 242) = ( 0.1875000 -0.2900444 -0.0251879), wk = 0.0032154 k( 243) = ( 0.2000000 -0.3093807 -0.0268671), wk = 0.0032154 k( 244) = ( 0.2125000 -0.3287170 -0.0285463), wk = 0.0032154 k( 245) = ( 0.2250000 -0.3480533 -0.0302255), wk = 0.0032154 k( 246) = ( 0.2375000 -0.3673896 -0.0319047), wk = 0.0032154 k( 247) = ( 0.2500000 -0.3867259 -0.0335839), wk = 0.0032154 k( 248) = ( 0.2625000 -0.4060622 -0.0352631), wk = 0.0032154 k( 249) = ( 0.2750000 -0.4253985 -0.0369423), wk = 0.0032154 k( 250) = ( 0.2875000 -0.4447347 -0.0386215), wk = 0.0032154 k( 251) = ( 0.3000000 -0.4640710 -0.0403007), wk = 0.0032154 k( 252) = ( 0.3125000 -0.4834073 -0.0419799), wk = 0.0032154 k( 253) = ( 0.3250000 -0.5027436 -0.0436591), wk = 0.0032154 k( 254) = ( 0.3375000 -0.5220799 -0.0453383), wk = 0.0032154 k( 255) = ( 0.3500000 -0.5414162 -0.0470175), wk = 0.0032154 k( 256) = ( 0.3625000 -0.5607525 -0.0486967), wk = 0.0032154 k( 257) = ( 0.3750000 -0.5800888 -0.0503759), wk = 0.0032154 k( 258) = ( 0.3875000 -0.5994251 -0.0520551), wk = 0.0032154 k( 259) = ( 0.4000000 -0.6187614 -0.0537343), wk = 0.0032154 k( 260) = ( 0.4125000 -0.6380977 -0.0554135), wk = 0.0032154 k( 261) = ( 0.4250000 -0.6574340 -0.0570927), wk = 0.0032154 k( 262) = ( 0.4375000 -0.6767703 -0.0587719), wk = 0.0032154 k( 263) = ( 0.4500000 -0.6961066 -0.0604511), wk = 0.0032154 k( 264) = ( 0.4625000 -0.7154429 -0.0621303), wk = 0.0032154 k( 265) = ( 0.4750000 -0.7347791 -0.0638095), wk = 0.0032154 k( 266) = ( 0.4875000 -0.7541154 -0.0654887), wk = 0.0032154 k( 267) = ( 0.5000000 -0.7734517 -0.0671679), wk = 0.0032154 k( 268) = ( 0.5000000 -0.7734517 0.3741649), wk = 0.0032154 k( 269) = ( 0.4883721 -0.7554645 0.3654634), wk = 0.0032154 k( 270) = ( 0.4767442 -0.7374772 0.3567619), wk = 0.0032154 k( 271) = ( 0.4651163 -0.7194900 0.3480603), wk = 0.0032154 k( 272) = ( 0.4534884 -0.7015027 0.3393588), wk = 0.0032154 k( 273) = ( 0.4418605 -0.6835155 0.3306573), wk = 0.0032154 k( 274) = ( 0.4302326 -0.6655282 0.3219558), wk = 0.0032154 k( 275) = ( 0.4186047 -0.6475410 0.3132543), wk = 0.0032154 k( 276) = ( 0.4069767 -0.6295537 0.3045528), wk = 0.0032154 k( 277) = ( 0.3953488 -0.6115665 0.2958513), wk = 0.0032154 k( 278) = ( 0.3837209 -0.5935792 0.2871498), wk = 0.0032154 k( 279) = ( 0.3720930 -0.5755920 0.2784483), wk = 0.0032154 k( 280) = ( 0.3604651 -0.5576047 0.2697468), wk = 0.0032154 k( 281) = ( 0.3488372 -0.5396175 0.2610453), wk = 0.0032154 k( 282) = ( 0.3372093 -0.5216302 0.2523438), wk = 0.0032154 k( 283) = ( 0.3255814 -0.5036430 0.2436422), wk = 0.0032154 k( 284) = ( 0.3139535 -0.4856557 0.2349407), wk = 0.0032154 k( 285) = ( 0.3023256 -0.4676685 0.2262392), wk = 0.0032154 k( 286) = ( 0.2906977 -0.4496812 0.2175377), wk = 0.0032154 k( 287) = ( 0.2790698 -0.4316940 0.2088362), wk = 0.0032154 k( 288) = ( 0.2674419 -0.4137067 0.2001347), wk = 0.0032154 k( 289) = ( 0.2558140 -0.3957195 0.1914332), wk = 0.0032154 k( 290) = ( 0.2441860 -0.3777322 0.1827317), wk = 0.0032154 k( 291) = ( 0.2325581 -0.3597450 0.1740302), wk = 0.0032154 k( 292) = ( 0.2209302 -0.3417577 0.1653287), wk = 0.0032154 k( 293) = ( 0.2093023 -0.3237705 0.1566272), wk = 0.0032154 k( 294) = ( 0.1976744 -0.3057832 0.1479256), wk = 0.0032154 k( 295) = ( 0.1860465 -0.2877960 0.1392241), wk = 0.0032154 k( 296) = ( 0.1744186 -0.2698087 0.1305226), wk = 0.0032154 k( 297) = ( 0.1627907 -0.2518215 0.1218211), wk = 0.0032154 k( 298) = ( 0.1511628 -0.2338342 0.1131196), wk = 0.0032154 k( 299) = ( 0.1395349 -0.2158470 0.1044181), wk = 0.0032154 k( 300) = ( 0.1279070 -0.1978598 0.0957166), wk = 0.0032154 k( 301) = ( 0.1162791 -0.1798725 0.0870151), wk = 0.0032154 k( 302) = ( 0.1046512 -0.1618852 0.0783136), wk = 0.0032154 k( 303) = ( 0.0930233 -0.1438980 0.0696121), wk = 0.0032154 k( 304) = ( 0.0813954 -0.1259107 0.0609106), wk = 0.0032154 k( 305) = ( 0.0697674 -0.1079235 0.0522091), wk = 0.0032154 k( 306) = ( 0.0581395 -0.0899362 0.0435075), wk = 0.0032154 k( 307) = ( 0.0465116 -0.0719490 0.0348060), wk = 0.0032154 k( 308) = ( 0.0348837 -0.0539617 0.0261045), wk = 0.0032154 k( 309) = ( 0.0232558 -0.0359745 0.0174030), wk = 0.0032154 k( 310) = ( 0.0116279 -0.0179873 0.0087015), wk = 0.0032154 k( 311) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0032154 k( 3) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0032154 k( 4) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032154 k( 5) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032154 k( 6) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0032154 k( 7) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032154 k( 8) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0032154 k( 9) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032154 k( 10) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032154 k( 11) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0032154 k( 12) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0032154 k( 13) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032154 k( 14) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0032154 k( 15) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0032154 k( 16) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032154 k( 17) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032154 k( 18) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0032154 k( 19) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032154 k( 20) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0032154 k( 21) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0032154 k( 22) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032154 k( 23) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0032154 k( 24) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0032154 k( 25) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032154 k( 26) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032154 k( 27) = ( 0.5054196 0.5054196 0.0264930), wk = 0.0032154 k( 28) = ( 0.5108392 0.5108392 0.0529860), wk = 0.0032154 k( 29) = ( 0.5162589 0.5162589 0.0794790), wk = 0.0032154 k( 30) = ( 0.5216785 0.5216785 0.1059720), wk = 0.0032154 k( 31) = ( 0.5270981 0.5270981 0.1324650), wk = 0.0032154 k( 32) = ( 0.5325177 0.5325177 0.1589580), wk = 0.0032154 k( 33) = ( 0.5379373 0.5379373 0.1854510), wk = 0.0032154 k( 34) = ( 0.5433570 0.5433570 0.2119440), wk = 0.0032154 k( 35) = ( 0.5487766 0.5487766 0.2384370), wk = 0.0032154 k( 36) = ( 0.5541962 0.5541962 0.2649300), wk = 0.0032154 k( 37) = ( 0.5596158 0.5596158 0.2914230), wk = 0.0032154 k( 38) = ( 0.5650354 0.5650354 0.3179160), wk = 0.0032154 k( 39) = ( 0.5704550 0.5704550 0.3444090), wk = 0.0032154 k( 40) = ( 0.5758747 0.5758747 0.3709020), wk = 0.0032154 k( 41) = ( 0.5758747 0.5758747 0.3709020), wk = 0.0032154 k( 42) = ( 0.5650354 0.5650354 0.3893446), wk = 0.0032154 k( 43) = ( 0.5541962 0.5541962 0.4077871), wk = 0.0032154 k( 44) = ( 0.5433570 0.5433570 0.4262297), wk = 0.0032154 k( 45) = ( 0.5325177 0.5325177 0.4446723), wk = 0.0032154 k( 46) = ( 0.5216785 0.5216785 0.4631149), wk = 0.0032154 k( 47) = ( 0.5108392 0.5108392 0.4815574), wk = 0.0032154 k( 48) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 49) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 50) = ( 0.5065634 0.4934366 0.5000000), wk = 0.0032154 k( 51) = ( 0.5131269 0.4868731 0.5000000), wk = 0.0032154 k( 52) = ( 0.5196903 0.4803097 0.5000000), wk = 0.0032154 k( 53) = ( 0.5262537 0.4737462 0.5000000), wk = 0.0032154 k( 54) = ( 0.5328172 0.4671828 0.5000000), wk = 0.0032154 k( 55) = ( 0.5393806 0.4606194 0.5000000), wk = 0.0032154 k( 56) = ( 0.5459441 0.4540559 0.5000000), wk = 0.0032154 k( 57) = ( 0.5525075 0.4474925 0.5000000), wk = 0.0032154 k( 58) = ( 0.5590709 0.4409290 0.5000000), wk = 0.0032154 k( 59) = ( 0.5656344 0.4343656 0.5000000), wk = 0.0032154 k( 60) = ( 0.5721978 0.4278022 0.5000000), wk = 0.0032154 k( 61) = ( 0.5787613 0.4212387 0.5000000), wk = 0.0032154 k( 62) = ( 0.5853247 0.4146753 0.5000000), wk = 0.0032154 k( 63) = ( 0.5918881 0.4081119 0.5000000), wk = 0.0032154 k( 64) = ( 0.5984516 0.4015484 0.5000000), wk = 0.0032154 k( 65) = ( 0.6050150 0.3949850 0.5000000), wk = 0.0032154 k( 66) = ( 0.6115785 0.3884215 0.5000000), wk = 0.0032154 k( 67) = ( 0.6181419 0.3818581 0.5000000), wk = 0.0032154 k( 68) = ( 0.6247053 0.3752947 0.5000000), wk = 0.0032154 k( 69) = ( 0.6312688 0.3687312 0.5000000), wk = 0.0032154 k( 70) = ( 0.6378322 0.3621678 0.5000000), wk = 0.0032154 k( 71) = ( 0.6443956 0.3556043 0.5000000), wk = 0.0032154 k( 72) = ( 0.6509591 0.3490409 0.5000000), wk = 0.0032154 k( 73) = ( 0.6575225 0.3424775 0.5000000), wk = 0.0032154 k( 74) = ( 0.6640860 0.3359140 0.5000000), wk = 0.0032154 k( 75) = ( 0.6706494 0.3293506 0.5000000), wk = 0.0032154 k( 76) = ( 0.6772128 0.3227872 0.5000000), wk = 0.0032154 k( 77) = ( 0.6837763 0.3162237 0.5000000), wk = 0.0032154 k( 78) = ( 0.6903397 0.3096603 0.5000000), wk = 0.0032154 k( 79) = ( 0.6969032 0.3030968 0.5000000), wk = 0.0032154 k( 80) = ( 0.7034666 0.2965334 0.5000000), wk = 0.0032154 k( 81) = ( 0.7100300 0.2899700 0.5000000), wk = 0.0032154 k( 82) = ( 0.7165935 0.2834065 0.5000000), wk = 0.0032154 k( 83) = ( 0.7231569 0.2768431 0.5000000), wk = 0.0032154 k( 84) = ( 0.7297204 0.2702796 0.5000000), wk = 0.0032154 k( 85) = ( 0.7362838 0.2637162 0.5000000), wk = 0.0032154 k( 86) = ( 0.2637162 -0.2637162 0.5000000), wk = 0.0032154 k( 87) = ( 0.2572841 -0.2572841 0.5000000), wk = 0.0032154 k( 88) = ( 0.2508520 -0.2508520 0.5000000), wk = 0.0032154 k( 89) = ( 0.2444199 -0.2444199 0.5000000), wk = 0.0032154 k( 90) = ( 0.2379878 -0.2379878 0.5000000), wk = 0.0032154 k( 91) = ( 0.2315557 -0.2315557 0.5000000), wk = 0.0032154 k( 92) = ( 0.2251236 -0.2251236 0.5000000), wk = 0.0032154 k( 93) = ( 0.2186915 -0.2186915 0.5000000), wk = 0.0032154 k( 94) = ( 0.2122594 -0.2122594 0.5000000), wk = 0.0032154 k( 95) = ( 0.2058273 -0.2058273 0.5000000), wk = 0.0032154 k( 96) = ( 0.1993952 -0.1993952 0.5000000), wk = 0.0032154 k( 97) = ( 0.1929631 -0.1929631 0.5000000), wk = 0.0032154 k( 98) = ( 0.1865310 -0.1865310 0.5000000), wk = 0.0032154 k( 99) = ( 0.1800989 -0.1800989 0.5000000), wk = 0.0032154 k( 100) = ( 0.1736668 -0.1736668 0.5000000), wk = 0.0032154 k( 101) = ( 0.1672347 -0.1672347 0.5000000), wk = 0.0032154 k( 102) = ( 0.1608026 -0.1608026 0.5000000), wk = 0.0032154 k( 103) = ( 0.1543705 -0.1543705 0.5000000), wk = 0.0032154 k( 104) = ( 0.1479384 -0.1479384 0.5000000), wk = 0.0032154 k( 105) = ( 0.1415063 -0.1415063 0.5000000), wk = 0.0032154 k( 106) = ( 0.1350742 -0.1350742 0.5000000), wk = 0.0032154 k( 107) = ( 0.1286421 -0.1286421 0.5000000), wk = 0.0032154 k( 108) = ( 0.1222099 -0.1222099 0.5000000), wk = 0.0032154 k( 109) = ( 0.1157779 -0.1157779 0.5000000), wk = 0.0032154 k( 110) = ( 0.1093457 -0.1093457 0.5000000), wk = 0.0032154 k( 111) = ( 0.1029136 -0.1029136 0.5000000), wk = 0.0032154 k( 112) = ( 0.0964815 -0.0964815 0.5000000), wk = 0.0032154 k( 113) = ( 0.0900494 -0.0900494 0.5000000), wk = 0.0032154 k( 114) = ( 0.0836173 -0.0836173 0.5000000), wk = 0.0032154 k( 115) = ( 0.0771852 -0.0771852 0.5000000), wk = 0.0032154 k( 116) = ( 0.0707531 -0.0707531 0.5000000), wk = 0.0032154 k( 117) = ( 0.0643210 -0.0643210 0.5000000), wk = 0.0032154 k( 118) = ( 0.0578889 -0.0578889 0.5000000), wk = 0.0032154 k( 119) = ( 0.0514568 -0.0514568 0.5000000), wk = 0.0032154 k( 120) = ( 0.0450247 -0.0450247 0.5000000), wk = 0.0032154 k( 121) = ( 0.0385926 -0.0385926 0.5000000), wk = 0.0032154 k( 122) = ( 0.0321605 -0.0321605 0.5000000), wk = 0.0032154 k( 123) = ( 0.0257284 -0.0257284 0.5000000), wk = 0.0032154 k( 124) = ( 0.0192963 -0.0192963 0.5000000), wk = 0.0032154 k( 125) = ( 0.0128642 -0.0128642 0.5000000), wk = 0.0032154 k( 126) = ( 0.0064321 -0.0064321 0.5000000), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 129) = ( 0.0223224 0.0223224 0.5067946), wk = 0.0032154 k( 130) = ( 0.0446448 0.0446448 0.5135893), wk = 0.0032154 k( 131) = ( 0.0669672 0.0669672 0.5203839), wk = 0.0032154 k( 132) = ( 0.0892895 0.0892895 0.5271785), wk = 0.0032154 k( 133) = ( 0.1116119 0.1116119 0.5339732), wk = 0.0032154 k( 134) = ( 0.1339343 0.1339343 0.5407678), wk = 0.0032154 k( 135) = ( 0.1562567 0.1562567 0.5475624), wk = 0.0032154 k( 136) = ( 0.1785791 0.1785791 0.5543571), wk = 0.0032154 k( 137) = ( 0.2009015 0.2009015 0.5611517), wk = 0.0032154 k( 138) = ( 0.2232239 0.2232239 0.5679463), wk = 0.0032154 k( 139) = ( 0.2455462 0.2455462 0.5747410), wk = 0.0032154 k( 140) = ( 0.2678686 0.2678686 0.5815356), wk = 0.0032154 k( 141) = ( 0.2901910 0.2901910 0.5883302), wk = 0.0032154 k( 142) = ( 0.3125134 0.3125134 0.5951249), wk = 0.0032154 k( 143) = ( 0.3348358 0.3348358 0.6019195), wk = 0.0032154 k( 144) = ( 0.3571582 0.3571582 0.6087141), wk = 0.0032154 k( 145) = ( 0.3794806 0.3794806 0.6155088), wk = 0.0032154 k( 146) = ( 0.4018029 0.4018029 0.6223034), wk = 0.0032154 k( 147) = ( 0.4241253 0.4241253 0.6290980), wk = 0.0032154 k( 148) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032154 k( 149) = ( 0.5064796 0.4935204 -0.0000000), wk = 0.0032154 k( 150) = ( 0.5129592 0.4870408 -0.0000000), wk = 0.0032154 k( 151) = ( 0.5194388 0.4805612 -0.0000000), wk = 0.0032154 k( 152) = ( 0.5259184 0.4740816 -0.0000000), wk = 0.0032154 k( 153) = ( 0.5323980 0.4676020 -0.0000000), wk = 0.0032154 k( 154) = ( 0.5388776 0.4611224 -0.0000000), wk = 0.0032154 k( 155) = ( 0.5453572 0.4546428 -0.0000000), wk = 0.0032154 k( 156) = ( 0.5518368 0.4481632 -0.0000000), wk = 0.0032154 k( 157) = ( 0.5583164 0.4416835 -0.0000000), wk = 0.0032154 k( 158) = ( 0.5647960 0.4352039 -0.0000000), wk = 0.0032154 k( 159) = ( 0.5712757 0.4287243 -0.0000000), wk = 0.0032154 k( 160) = ( 0.5777553 0.4222447 -0.0000000), wk = 0.0032154 k( 161) = ( 0.5842349 0.4157651 -0.0000000), wk = 0.0032154 k( 162) = ( 0.5907145 0.4092855 -0.0000000), wk = 0.0032154 k( 163) = ( 0.5971941 0.4028059 -0.0000000), wk = 0.0032154 k( 164) = ( 0.6036737 0.3963263 -0.0000000), wk = 0.0032154 k( 165) = ( 0.6101533 0.3898467 -0.0000000), wk = 0.0032154 k( 166) = ( 0.6166329 0.3833671 -0.0000000), wk = 0.0032154 k( 167) = ( 0.6231125 0.3768875 -0.0000000), wk = 0.0032154 k( 168) = ( 0.6295921 0.3704079 -0.0000000), wk = 0.0032154 k( 169) = ( 0.6360717 0.3639283 -0.0000000), wk = 0.0032154 k( 170) = ( 0.6425513 0.3574487 -0.0000000), wk = 0.0032154 k( 171) = ( 0.6490309 0.3509691 -0.0000000), wk = 0.0032154 k( 172) = ( 0.6555105 0.3444895 -0.0000000), wk = 0.0032154 k( 173) = ( 0.6619901 0.3380099 -0.0000000), wk = 0.0032154 k( 174) = ( 0.6684697 0.3315303 -0.0000000), wk = 0.0032154 k( 175) = ( 0.6749493 0.3250507 -0.0000000), wk = 0.0032154 k( 176) = ( 0.6814290 0.3185710 -0.0000000), wk = 0.0032154 k( 177) = ( 0.6879085 0.3120914 -0.0000000), wk = 0.0032154 k( 178) = ( 0.6943882 0.3056118 -0.0000000), wk = 0.0032154 k( 179) = ( 0.7008678 0.2991322 -0.0000000), wk = 0.0032154 k( 180) = ( 0.7073474 0.2926526 -0.0000000), wk = 0.0032154 k( 181) = ( 0.7138270 0.2861730 -0.0000000), wk = 0.0032154 k( 182) = ( 0.7203066 0.2796934 -0.0000000), wk = 0.0032154 k( 183) = ( 0.7267862 0.2732138 -0.0000000), wk = 0.0032154 k( 184) = ( 0.2732138 -0.2732138 -0.0000000), wk = 0.0032154 k( 185) = ( 0.2667087 -0.2667087 -0.0000000), wk = 0.0032154 k( 186) = ( 0.2602036 -0.2602036 0.0000000), wk = 0.0032154 k( 187) = ( 0.2536985 -0.2536985 -0.0000000), wk = 0.0032154 k( 188) = ( 0.2471935 -0.2471935 -0.0000000), wk = 0.0032154 k( 189) = ( 0.2406884 -0.2406884 -0.0000000), wk = 0.0032154 k( 190) = ( 0.2341833 -0.2341833 0.0000000), wk = 0.0032154 k( 191) = ( 0.2276782 -0.2276782 -0.0000000), wk = 0.0032154 k( 192) = ( 0.2211731 -0.2211731 -0.0000000), wk = 0.0032154 k( 193) = ( 0.2146680 -0.2146680 -0.0000000), wk = 0.0032154 k( 194) = ( 0.2081629 -0.2081629 -0.0000000), wk = 0.0032154 k( 195) = ( 0.2016578 -0.2016578 -0.0000000), wk = 0.0032154 k( 196) = ( 0.1951527 -0.1951527 -0.0000000), wk = 0.0032154 k( 197) = ( 0.1886476 -0.1886476 -0.0000000), wk = 0.0032154 k( 198) = ( 0.1821425 -0.1821425 -0.0000000), wk = 0.0032154 k( 199) = ( 0.1756375 -0.1756375 -0.0000000), wk = 0.0032154 k( 200) = ( 0.1691324 -0.1691324 -0.0000000), wk = 0.0032154 k( 201) = ( 0.1626273 -0.1626273 -0.0000000), wk = 0.0032154 k( 202) = ( 0.1561222 -0.1561222 -0.0000000), wk = 0.0032154 k( 203) = ( 0.1496171 -0.1496171 -0.0000000), wk = 0.0032154 k( 204) = ( 0.1431120 -0.1431120 -0.0000000), wk = 0.0032154 k( 205) = ( 0.1366069 -0.1366069 0.0000000), wk = 0.0032154 k( 206) = ( 0.1301018 -0.1301018 -0.0000000), wk = 0.0032154 k( 207) = ( 0.1235967 -0.1235967 -0.0000000), wk = 0.0032154 k( 208) = ( 0.1170916 -0.1170916 -0.0000000), wk = 0.0032154 k( 209) = ( 0.1105865 -0.1105865 -0.0000000), wk = 0.0032154 k( 210) = ( 0.1040815 -0.1040815 -0.0000000), wk = 0.0032154 k( 211) = ( 0.0975764 -0.0975764 -0.0000000), wk = 0.0032154 k( 212) = ( 0.0910713 -0.0910713 -0.0000000), wk = 0.0032154 k( 213) = ( 0.0845662 -0.0845662 -0.0000000), wk = 0.0032154 k( 214) = ( 0.0780611 -0.0780611 -0.0000000), wk = 0.0032154 k( 215) = ( 0.0715560 -0.0715560 -0.0000000), wk = 0.0032154 k( 216) = ( 0.0650509 -0.0650509 -0.0000000), wk = 0.0032154 k( 217) = ( 0.0585458 -0.0585458 -0.0000000), wk = 0.0032154 k( 218) = ( 0.0520407 -0.0520407 -0.0000000), wk = 0.0032154 k( 219) = ( 0.0455356 -0.0455356 -0.0000000), wk = 0.0032154 k( 220) = ( 0.0390305 -0.0390305 -0.0000000), wk = 0.0032154 k( 221) = ( 0.0325254 -0.0325254 -0.0000000), wk = 0.0032154 k( 222) = ( 0.0260204 -0.0260204 -0.0000000), wk = 0.0032154 k( 223) = ( 0.0195153 -0.0195153 -0.0000000), wk = 0.0032154 k( 224) = ( 0.0130102 -0.0130102 -0.0000000), wk = 0.0032154 k( 225) = ( 0.0065051 -0.0065051 -0.0000000), wk = 0.0032154 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 228) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0032154 k( 229) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0032154 k( 230) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0032154 k( 231) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0032154 k( 232) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0032154 k( 233) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0032154 k( 234) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0032154 k( 235) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0032154 k( 236) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0032154 k( 237) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0032154 k( 238) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0032154 k( 239) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0032154 k( 240) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0032154 k( 241) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0032154 k( 242) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0032154 k( 243) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0032154 k( 244) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0032154 k( 245) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0032154 k( 246) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0032154 k( 247) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032154 k( 248) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0032154 k( 249) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0032154 k( 250) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0032154 k( 251) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0032154 k( 252) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0032154 k( 253) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0032154 k( 254) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0032154 k( 255) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0032154 k( 256) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0032154 k( 257) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0032154 k( 258) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0032154 k( 259) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0032154 k( 260) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0032154 k( 261) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0032154 k( 262) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0032154 k( 263) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0032154 k( 264) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0032154 k( 265) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0032154 k( 266) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0032154 k( 267) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032154 k( 268) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032154 k( 269) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0032154 k( 270) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0032154 k( 271) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0032154 k( 272) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0032154 k( 273) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0032154 k( 274) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0032154 k( 275) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0032154 k( 276) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0032154 k( 277) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0032154 k( 278) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0032154 k( 279) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0032154 k( 280) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0032154 k( 281) = ( 0.3488372 -0.0000000 0.3488372), wk = 0.0032154 k( 282) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0032154 k( 283) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0032154 k( 284) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0032154 k( 285) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0032154 k( 286) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0032154 k( 287) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0032154 k( 288) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0032154 k( 289) = ( 0.2558140 -0.0000000 0.2558140), wk = 0.0032154 k( 290) = ( 0.2441860 -0.0000000 0.2441860), wk = 0.0032154 k( 291) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0032154 k( 292) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0032154 k( 293) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0032154 k( 294) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0032154 k( 295) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0032154 k( 296) = ( 0.1744186 0.0000000 0.1744186), wk = 0.0032154 k( 297) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0032154 k( 298) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0032154 k( 299) = ( 0.1395349 0.0000000 0.1395349), wk = 0.0032154 k( 300) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0032154 k( 301) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0032154 k( 302) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0032154 k( 303) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0032154 k( 304) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0032154 k( 305) = ( 0.0697674 0.0000000 0.0697674), wk = 0.0032154 k( 306) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0032154 k( 307) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0032154 k( 308) = ( 0.0348837 0.0000000 0.0348837), wk = 0.0032154 k( 309) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0032154 k( 310) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0032154 k( 311) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 Dense grid: 114317 G-vectors FFT dimensions: ( 72, 72, 90) Smooth grid: 45467 G-vectors FFT dimensions: ( 54, 54, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 170, 46) NL pseudopotentials 0.26 Mb ( 85, 204) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1586) G-vector shells 0.01 Mb ( 1586) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 170, 184) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.29 Mb ( 204, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./RbSb2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.7 secs Computing kpt #: 14 total cpu time spent up to now is 14.4 secs Computing kpt #: 15 total cpu time spent up to now is 15.1 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.6 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.9 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.4 secs Computing kpt #: 22 total cpu time spent up to now is 20.1 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.6 secs Computing kpt #: 25 total cpu time spent up to now is 22.4 secs Computing kpt #: 26 total cpu time spent up to now is 23.1 secs Computing kpt #: 27 total cpu time spent up to now is 23.9 secs Computing kpt #: 28 total cpu time spent up to now is 24.6 secs Computing kpt #: 29 total cpu time spent up to now is 25.3 secs Computing kpt #: 30 total cpu time spent up to now is 26.1 secs Computing kpt #: 31 total cpu time spent up to now is 26.9 secs Computing kpt #: 32 total cpu time spent up to now is 27.6 secs Computing kpt #: 33 total cpu time spent up to now is 28.3 secs Computing kpt #: 34 total cpu time spent up to now is 29.1 secs Computing kpt #: 35 total cpu time spent up to now is 30.4 secs Computing kpt #: 36 total cpu time spent up to now is 31.1 secs Computing kpt #: 37 total cpu time spent up to now is 31.9 secs Computing kpt #: 38 total cpu time spent up to now is 32.7 secs Computing kpt #: 39 total cpu time spent up to now is 33.5 secs Computing kpt #: 40 total cpu time spent up to now is 34.3 secs Computing kpt #: 41 total cpu time spent up to now is 35.1 secs Computing kpt #: 42 total cpu time spent up to now is 36.1 secs Computing kpt #: 43 total cpu time spent up to now is 37.0 secs Computing kpt #: 44 total cpu time spent up to now is 37.9 secs Computing kpt #: 45 total cpu time spent up to now is 38.9 secs Computing kpt #: 46 total cpu time spent up to now is 39.8 secs Computing kpt #: 47 total cpu time spent up to now is 40.8 secs Computing kpt #: 48 total cpu time spent up to now is 41.5 secs Computing kpt #: 49 total cpu time spent up to now is 42.3 secs Computing kpt #: 50 total cpu time spent up to now is 43.1 secs Computing kpt #: 51 total cpu time spent up to now is 44.1 secs Computing kpt #: 52 total cpu time spent up to now is 45.1 secs Computing kpt #: 53 total cpu time spent up to now is 46.1 secs Computing kpt #: 54 total cpu time spent up to now is 47.1 secs Computing kpt #: 55 total cpu time spent up to now is 48.0 secs Computing kpt #: 56 total cpu time spent up to now is 48.9 secs Computing kpt #: 57 total cpu time spent up to now is 49.8 secs Computing kpt #: 58 total cpu time spent up to now is 50.7 secs Computing kpt #: 59 total cpu time spent up to now is 51.6 secs Computing kpt #: 60 total cpu time spent up to now is 52.4 secs Computing kpt #: 61 total cpu time spent up to now is 53.2 secs Computing kpt #: 62 total cpu time spent up to now is 53.9 secs Computing kpt #: 63 total cpu time spent up to now is 54.7 secs Computing kpt #: 64 total cpu time spent up to now is 55.4 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 57.0 secs Computing kpt #: 67 total cpu time spent up to now is 57.9 secs Computing kpt #: 68 total cpu time spent up to now is 58.7 secs Computing kpt #: 69 total cpu time spent up to now is 59.5 secs Computing kpt #: 70 total cpu time spent up to now is 61.0 secs Computing kpt #: 71 total cpu time spent up to now is 61.8 secs Computing kpt #: 72 total cpu time spent up to now is 62.5 secs Computing kpt #: 73 total cpu time spent up to now is 63.4 secs Computing kpt #: 74 total cpu time spent up to now is 64.1 secs Computing kpt #: 75 total cpu time spent up to now is 64.9 secs Computing kpt #: 76 total cpu time spent up to now is 65.6 secs Computing kpt #: 77 total cpu time spent up to now is 66.4 secs Computing kpt #: 78 total cpu time spent up to now is 67.2 secs Computing kpt #: 79 total cpu time spent up to now is 68.0 secs Computing kpt #: 80 total cpu time spent up to now is 68.8 secs Computing kpt #: 81 total cpu time spent up to now is 69.7 secs Computing kpt #: 82 total cpu time spent up to now is 70.6 secs Computing kpt #: 83 total cpu time spent up to now is 71.5 secs Computing kpt #: 84 total cpu time spent up to now is 72.5 secs Computing kpt #: 85 total cpu time spent up to now is 73.4 secs Computing kpt #: 86 total cpu time spent up to now is 74.3 secs Computing kpt #: 87 total cpu time spent up to now is 75.1 secs Computing kpt #: 88 total cpu time spent up to now is 75.9 secs Computing kpt #: 89 total cpu time spent up to now is 76.7 secs Computing kpt #: 90 total cpu time spent up to now is 77.5 secs Computing kpt #: 91 total cpu time spent up to now is 78.3 secs Computing kpt #: 92 total cpu time spent up to now is 79.0 secs Computing kpt #: 93 total cpu time spent up to now is 79.7 secs Computing kpt #: 94 total cpu time spent up to now is 80.5 secs Computing kpt #: 95 total cpu time spent up to now is 81.2 secs Computing kpt #: 96 total cpu time spent up to now is 81.9 secs Computing kpt #: 97 total cpu time spent up to now is 82.6 secs Computing kpt #: 98 total cpu time spent up to now is 83.4 secs Computing kpt #: 99 total cpu time spent up to now is 84.1 secs Computing kpt #: 100 total cpu time spent up to now is 84.8 secs Computing kpt #: 101 total cpu time spent up to now is 85.6 secs Computing kpt #: 102 total cpu time spent up to now is 86.3 secs Computing kpt #: 103 total cpu time spent up to now is 87.0 secs Computing kpt #: 104 total cpu time spent up to now is 87.8 secs Computing kpt #: 105 total cpu time spent up to now is 88.5 secs Computing kpt #: 106 total cpu time spent up to now is 89.3 secs Computing kpt #: 107 total cpu time spent up to now is 90.0 secs Computing kpt #: 108 total cpu time spent up to now is 90.7 secs Computing kpt #: 109 total cpu time spent up to now is 91.5 secs Computing kpt #: 110 total cpu time spent up to now is 92.2 secs Computing kpt #: 111 total cpu time spent up to now is 93.0 secs Computing kpt #: 112 total cpu time spent up to now is 93.8 secs Computing kpt #: 113 total cpu time spent up to now is 94.6 secs Computing kpt #: 114 total cpu time spent up to now is 95.3 secs Computing kpt #: 115 total cpu time spent up to now is 96.1 secs Computing kpt #: 116 total cpu time spent up to now is 96.9 secs Computing kpt #: 117 total cpu time spent up to now is 97.8 secs Computing kpt #: 118 total cpu time spent up to now is 98.7 secs Computing kpt #: 119 total cpu time spent up to now is 99.6 secs Computing kpt #: 120 total cpu time spent up to now is 100.5 secs Computing kpt #: 121 total cpu time spent up to now is 101.3 secs Computing kpt #: 122 total cpu time spent up to now is 102.1 secs Computing kpt #: 123 total cpu time spent up to now is 102.8 secs Computing kpt #: 124 total cpu time spent up to now is 103.6 secs Computing kpt #: 125 total cpu time spent up to now is 104.3 secs Computing kpt #: 126 total cpu time spent up to now is 105.0 secs Computing kpt #: 127 total cpu time spent up to now is 105.7 secs Computing kpt #: 128 total cpu time spent up to now is 106.8 secs Computing kpt #: 129 total cpu time spent up to now is 107.6 secs Computing kpt #: 130 total cpu time spent up to now is 108.3 secs Computing kpt #: 131 total cpu time spent up to now is 109.0 secs Computing kpt #: 132 total cpu time spent up to now is 109.8 secs Computing kpt #: 133 total cpu time spent up to now is 110.6 secs Computing kpt #: 134 total cpu time spent up to now is 111.3 secs Computing kpt #: 135 total cpu time spent up to now is 112.2 secs Computing kpt #: 136 total cpu time spent up to now is 113.3 secs Computing kpt #: 137 total cpu time spent up to now is 114.1 secs Computing kpt #: 138 total cpu time spent up to now is 115.0 secs Computing kpt #: 139 total cpu time spent up to now is 115.8 secs Computing kpt #: 140 total cpu time spent up to now is 116.8 secs Computing kpt #: 141 total cpu time spent up to now is 117.6 secs Computing kpt #: 142 total cpu time spent up to now is 118.6 secs Computing kpt #: 143 total cpu time spent up to now is 119.4 secs Computing kpt #: 144 total cpu time spent up to now is 120.3 secs Computing kpt #: 145 total cpu time spent up to now is 121.1 secs Computing kpt #: 146 total cpu time spent up to now is 121.9 secs Computing kpt #: 147 total cpu time spent up to now is 122.7 secs Computing kpt #: 148 total cpu time spent up to now is 123.4 secs Computing kpt #: 149 total cpu time spent up to now is 124.2 secs Computing kpt #: 150 total cpu time spent up to now is 124.9 secs Computing kpt #: 151 total cpu time spent up to now is 125.6 secs Computing kpt #: 152 total cpu time spent up to now is 126.4 secs Computing kpt #: 153 total cpu time spent up to now is 127.2 secs Computing kpt #: 154 total cpu time spent up to now is 128.2 secs Computing kpt #: 155 total cpu time spent up to now is 129.0 secs Computing kpt #: 156 total cpu time spent up to now is 129.9 secs Computing kpt #: 157 total cpu time spent up to now is 130.9 secs Computing kpt #: 158 total cpu time spent up to now is 131.6 secs Computing kpt #: 159 total cpu time spent up to now is 132.5 secs Computing kpt #: 160 total cpu time spent up to now is 133.2 secs Computing kpt #: 161 total cpu time spent up to now is 134.1 secs Computing kpt #: 162 total cpu time spent up to now is 134.8 secs Computing kpt #: 163 total cpu time spent up to now is 135.6 secs Computing kpt #: 164 total cpu time spent up to now is 136.4 secs Computing kpt #: 165 total cpu time spent up to now is 137.1 secs Computing kpt #: 166 total cpu time spent up to now is 137.8 secs Computing kpt #: 167 total cpu time spent up to now is 138.5 secs Computing kpt #: 168 total cpu time spent up to now is 139.3 secs Computing kpt #: 169 total cpu time spent up to now is 140.1 secs Computing kpt #: 170 total cpu time spent up to now is 140.8 secs Computing kpt #: 171 total cpu time spent up to now is 141.5 secs Computing kpt #: 172 total cpu time spent up to now is 142.2 secs Computing kpt #: 173 total cpu time spent up to now is 143.6 secs Computing kpt #: 174 total cpu time spent up to now is 144.3 secs Computing kpt #: 175 total cpu time spent up to now is 145.1 secs Computing kpt #: 176 total cpu time spent up to now is 145.8 secs Computing kpt #: 177 total cpu time spent up to now is 146.5 secs Computing kpt #: 178 total cpu time spent up to now is 147.3 secs Computing kpt #: 179 total cpu time spent up to now is 148.0 secs Computing kpt #: 180 total cpu time spent up to now is 148.7 secs Computing kpt #: 181 total cpu time spent up to now is 149.4 secs Computing kpt #: 182 total cpu time spent up to now is 150.2 secs Computing kpt #: 183 total cpu time spent up to now is 150.9 secs Computing kpt #: 184 total cpu time spent up to now is 151.7 secs Computing kpt #: 185 total cpu time spent up to now is 152.4 secs Computing kpt #: 186 total cpu time spent up to now is 153.2 secs Computing kpt #: 187 total cpu time spent up to now is 154.0 secs Computing kpt #: 188 total cpu time spent up to now is 154.7 secs Computing kpt #: 189 total cpu time spent up to now is 155.5 secs Computing kpt #: 190 total cpu time spent up to now is 156.2 secs Computing kpt #: 191 total cpu time spent up to now is 156.9 secs Computing kpt #: 192 total cpu time spent up to now is 157.6 secs Computing kpt #: 193 total cpu time spent up to now is 158.4 secs Computing kpt #: 194 total cpu time spent up to now is 159.1 secs Computing kpt #: 195 total cpu time spent up to now is 159.9 secs Computing kpt #: 196 total cpu time spent up to now is 160.6 secs Computing kpt #: 197 total cpu time spent up to now is 161.3 secs Computing kpt #: 198 total cpu time spent up to now is 162.0 secs Computing kpt #: 199 total cpu time spent up to now is 162.7 secs Computing kpt #: 200 total cpu time spent up to now is 163.5 secs Computing kpt #: 201 total cpu time spent up to now is 164.2 secs Computing kpt #: 202 total cpu time spent up to now is 164.9 secs Computing kpt #: 203 total cpu time spent up to now is 165.6 secs Computing kpt #: 204 total cpu time spent up to now is 166.3 secs Computing kpt #: 205 total cpu time spent up to now is 167.1 secs Computing kpt #: 206 total cpu time spent up to now is 168.0 secs Computing kpt #: 207 total cpu time spent up to now is 168.9 secs Computing kpt #: 208 total cpu time spent up to now is 169.7 secs Computing kpt #: 209 total cpu time spent up to now is 170.4 secs Computing kpt #: 210 total cpu time spent up to now is 171.2 secs Computing kpt #: 211 total cpu time spent up to now is 171.9 secs Computing kpt #: 212 total cpu time spent up to now is 172.7 secs Computing kpt #: 213 total cpu time spent up to now is 174.1 secs Computing kpt #: 214 total cpu time spent up to now is 174.8 secs Computing kpt #: 215 total cpu time spent up to now is 175.6 secs Computing kpt #: 216 total cpu time spent up to now is 176.4 secs Computing kpt #: 217 total cpu time spent up to now is 177.1 secs Computing kpt #: 218 total cpu time spent up to now is 177.9 secs Computing kpt #: 219 total cpu time spent up to now is 178.6 secs Computing kpt #: 220 total cpu time spent up to now is 179.3 secs Computing kpt #: 221 total cpu time spent up to now is 180.1 secs Computing kpt #: 222 total cpu time spent up to now is 180.9 secs Computing kpt #: 223 total cpu time spent up to now is 181.7 secs Computing kpt #: 224 total cpu time spent up to now is 182.4 secs Computing kpt #: 225 total cpu time spent up to now is 183.6 secs Computing kpt #: 226 total cpu time spent up to now is 184.5 secs Computing kpt #: 227 total cpu time spent up to now is 185.5 secs Computing kpt #: 228 total cpu time spent up to now is 186.4 secs Computing kpt #: 229 total cpu time spent up to now is 187.2 secs Computing kpt #: 230 total cpu time spent up to now is 188.1 secs Computing kpt #: 231 total cpu time spent up to now is 189.2 secs Computing kpt #: 232 total cpu time spent up to now is 190.0 secs Computing kpt #: 233 total cpu time spent up to now is 190.8 secs Computing kpt #: 234 total cpu time spent up to now is 191.5 secs Computing kpt #: 235 total cpu time spent up to now is 192.3 secs Computing kpt #: 236 total cpu time spent up to now is 193.1 secs Computing kpt #: 237 total cpu time spent up to now is 193.9 secs Computing kpt #: 238 total cpu time spent up to now is 194.7 secs Computing kpt #: 239 total cpu time spent up to now is 195.5 secs Computing kpt #: 240 total cpu time spent up to now is 196.2 secs Computing kpt #: 241 total cpu time spent up to now is 196.9 secs Computing kpt #: 242 total cpu time spent up to now is 197.6 secs Computing kpt #: 243 total cpu time spent up to now is 198.3 secs Computing kpt #: 244 total cpu time spent up to now is 199.1 secs Computing kpt #: 245 total cpu time spent up to now is 199.9 secs Computing kpt #: 246 total cpu time spent up to now is 200.7 secs Computing kpt #: 247 total cpu time spent up to now is 201.4 secs Computing kpt #: 248 total cpu time spent up to now is 202.2 secs Computing kpt #: 249 total cpu time spent up to now is 202.9 secs Computing kpt #: 250 total cpu time spent up to now is 203.7 secs Computing kpt #: 251 total cpu time spent up to now is 204.4 secs Computing kpt #: 252 total cpu time spent up to now is 205.2 secs Computing kpt #: 253 total cpu time spent up to now is 206.0 secs Computing kpt #: 254 total cpu time spent up to now is 206.7 secs Computing kpt #: 255 total cpu time spent up to now is 207.4 secs Computing kpt #: 256 total cpu time spent up to now is 208.2 secs Computing kpt #: 257 total cpu time spent up to now is 209.0 secs Computing kpt #: 258 total cpu time spent up to now is 209.7 secs Computing kpt #: 259 total cpu time spent up to now is 210.4 secs Computing kpt #: 260 total cpu time spent up to now is 211.2 secs Computing kpt #: 261 total cpu time spent up to now is 212.0 secs Computing kpt #: 262 total cpu time spent up to now is 212.8 secs Computing kpt #: 263 total cpu time spent up to now is 213.5 secs Computing kpt #: 264 total cpu time spent up to now is 214.3 secs Computing kpt #: 265 total cpu time spent up to now is 215.0 secs Computing kpt #: 266 total cpu time spent up to now is 215.7 secs Computing kpt #: 267 total cpu time spent up to now is 216.5 secs Computing kpt #: 268 total cpu time spent up to now is 217.4 secs Computing kpt #: 269 total cpu time spent up to now is 218.2 secs Computing kpt #: 270 total cpu time spent up to now is 219.0 secs Computing kpt #: 271 total cpu time spent up to now is 219.9 secs Computing kpt #: 272 total cpu time spent up to now is 220.6 secs Computing kpt #: 273 total cpu time spent up to now is 221.5 secs Computing kpt #: 274 total cpu time spent up to now is 222.3 secs Computing kpt #: 275 total cpu time spent up to now is 223.1 secs Computing kpt #: 276 total cpu time spent up to now is 223.8 secs Computing kpt #: 277 total cpu time spent up to now is 224.6 secs Computing kpt #: 278 total cpu time spent up to now is 225.3 secs Computing kpt #: 279 total cpu time spent up to now is 226.1 secs Computing kpt #: 280 total cpu time spent up to now is 226.9 secs Computing kpt #: 281 total cpu time spent up to now is 227.6 secs Computing kpt #: 282 total cpu time spent up to now is 228.4 secs Computing kpt #: 283 total cpu time spent up to now is 229.1 secs Computing kpt #: 284 total cpu time spent up to now is 230.0 secs Computing kpt #: 285 total cpu time spent up to now is 230.7 secs Computing kpt #: 286 total cpu time spent up to now is 231.4 secs Computing kpt #: 287 total cpu time spent up to now is 232.2 secs Computing kpt #: 288 total cpu time spent up to now is 233.0 secs Computing kpt #: 289 total cpu time spent up to now is 233.7 secs Computing kpt #: 290 total cpu time spent up to now is 234.4 secs Computing kpt #: 291 total cpu time spent up to now is 235.3 secs Computing kpt #: 292 total cpu time spent up to now is 236.0 secs Computing kpt #: 293 total cpu time spent up to now is 236.7 secs Computing kpt #: 294 total cpu time spent up to now is 237.5 secs Computing kpt #: 295 total cpu time spent up to now is 238.3 secs Computing kpt #: 296 total cpu time spent up to now is 239.1 secs Computing kpt #: 297 total cpu time spent up to now is 239.8 secs Computing kpt #: 298 total cpu time spent up to now is 240.6 secs Computing kpt #: 299 total cpu time spent up to now is 241.4 secs Computing kpt #: 300 total cpu time spent up to now is 242.2 secs Computing kpt #: 301 total cpu time spent up to now is 243.0 secs Computing kpt #: 302 total cpu time spent up to now is 243.8 secs Computing kpt #: 303 total cpu time spent up to now is 244.6 secs Computing kpt #: 304 total cpu time spent up to now is 245.5 secs Computing kpt #: 305 total cpu time spent up to now is 246.4 secs Computing kpt #: 306 total cpu time spent up to now is 247.1 secs Computing kpt #: 307 total cpu time spent up to now is 248.0 secs Computing kpt #: 308 total cpu time spent up to now is 248.8 secs Computing kpt #: 309 total cpu time spent up to now is 249.7 secs Computing kpt #: 310 total cpu time spent up to now is 250.8 secs Computing kpt #: 311 total cpu time spent up to now is 251.7 secs ethr = 2.63E-08, avg # of iterations = 17.9 total cpu time spent up to now is 251.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5677 PWs) bands (ev): -22.9797 -22.9797 -22.9769 -22.9769 -7.6904 -7.6904 -7.6600 -7.6600 -6.8998 -6.8998 -6.8361 -6.8361 -6.8222 -6.8222 -6.7463 -6.7463 -6.7361 -6.7361 -5.8073 -5.8073 -2.9097 -2.9097 -1.8114 -1.8114 1.2289 1.2289 2.4089 2.4089 2.5100 2.5100 2.7416 2.7416 3.3815 3.3815 4.0863 4.0863 4.4680 4.4680 5.5010 5.5010 5.5237 5.5237 6.1594 6.1594 7.0247 7.0247 k = 0.0208 0.0061-0.0056 ( 5669 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6904 -7.6904 -7.6602 -7.6602 -6.9016 -6.9016 -6.8445 -6.8445 -6.8130 -6.8130 -6.7467 -6.7467 -6.7343 -6.7343 -5.8069 -5.8069 -2.9096 -2.9096 -1.8116 -1.8116 1.2279 1.2279 2.4038 2.4038 2.5142 2.5142 2.7422 2.7422 3.3818 3.3818 4.0831 4.0831 4.4702 4.4702 5.5027 5.5027 5.5259 5.5259 6.1585 6.1585 7.0280 7.0280 k = 0.0417 0.0123-0.0112 ( 5669 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6907 -7.6907 -7.6609 -7.6609 -6.9074 -6.9074 -6.8553 -6.8553 -6.8001 -6.8001 -6.7474 -6.7474 -6.7290 -6.7290 -5.8059 -5.8059 -2.9095 -2.9095 -1.8124 -1.8124 1.2249 1.2249 2.3905 2.3905 2.5248 2.5248 2.7441 2.7441 3.3829 3.3829 4.0739 4.0739 4.4766 4.4766 5.5064 5.5064 5.5339 5.5339 6.1559 6.1559 7.0371 7.0371 k = 0.0625 0.0184-0.0168 ( 5672 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6910 -7.6910 -7.6619 -7.6619 -6.9172 -6.9172 -6.8632 -6.8632 -6.7893 -6.7893 -6.7480 -6.7480 -6.7199 -6.7199 -5.8041 -5.8041 -2.9093 -2.9093 -1.8136 -1.8136 1.2201 1.2201 2.3722 2.3722 2.5385 2.5385 2.7473 2.7473 3.3846 3.3846 4.0592 4.0592 4.4867 4.4867 5.5101 5.5101 5.5497 5.5497 6.1515 6.1515 7.0490 7.0490 k = 0.0833 0.0246-0.0224 ( 5676 PWs) bands (ev): -22.9796 -22.9796 -22.9770 -22.9770 -7.6915 -7.6915 -7.6633 -7.6633 -6.9299 -6.9299 -6.8686 -6.8686 -6.7816 -6.7816 -6.7483 -6.7483 -6.7070 -6.7070 -5.8016 -5.8016 -2.9090 -2.9090 -1.8153 -1.8153 1.2135 1.2135 2.3508 2.3508 2.5532 2.5532 2.7520 2.7520 3.3870 3.3870 4.0402 4.0402 4.4998 4.4998 5.5130 5.5130 5.5736 5.5736 6.1457 6.1457 7.0573 7.0573 k = 0.1042 0.0307-0.0280 ( 5680 PWs) bands (ev): -22.9796 -22.9796 -22.9770 -22.9770 -7.6922 -7.6922 -7.6651 -7.6651 -6.9441 -6.9441 -6.8724 -6.8724 -6.7769 -6.7769 -6.7483 -6.7483 -6.6909 -6.6909 -5.7986 -5.7986 -2.9087 -2.9087 -1.8174 -1.8174 1.2052 1.2052 2.3274 2.3274 2.5675 2.5675 2.7585 2.7585 3.3901 3.3901 4.0178 4.0178 4.5152 4.5152 5.5157 5.5157 5.6048 5.6048 6.1387 6.1387 7.0581 7.0581 k = 0.1250 0.0369-0.0336 ( 5684 PWs) bands (ev): -22.9796 -22.9796 -22.9770 -22.9770 -7.6930 -7.6930 -7.6671 -7.6671 -6.9588 -6.9588 -6.8754 -6.8754 -6.7742 -6.7742 -6.7482 -6.7482 -6.6727 -6.6727 -5.7949 -5.7949 -2.9083 -2.9083 -1.8199 -1.8199 1.1954 1.1954 2.3027 2.3027 2.5808 2.5808 2.7671 2.7671 3.3939 3.3939 3.9928 3.9928 4.5324 4.5324 5.5184 5.5184 5.6426 5.6426 6.1306 6.1306 7.0536 7.0536 k = 0.1458 0.0430-0.0392 ( 5680 PWs) bands (ev): -22.9795 -22.9795 -22.9770 -22.9770 -7.6940 -7.6940 -7.6694 -7.6694 -6.9734 -6.9734 -6.8780 -6.8780 -6.7728 -6.7728 -6.7480 -6.7480 -6.6533 -6.6533 -5.7908 -5.7908 -2.9078 -2.9078 -1.8227 -1.8227 1.1844 1.1844 2.2769 2.2769 2.5925 2.5925 2.7778 2.7778 3.3984 3.3984 3.9662 3.9662 4.5509 4.5509 5.5212 5.5212 5.6863 5.6863 6.1218 6.1218 7.0463 7.0463 k = 0.1667 0.0492-0.0448 ( 5689 PWs) bands (ev): -22.9795 -22.9795 -22.9771 -22.9771 -7.6952 -7.6952 -7.6718 -7.6718 -6.9875 -6.9875 -6.8804 -6.8804 -6.7720 -6.7720 -6.7478 -6.7478 -6.6334 -6.6334 -5.7862 -5.7862 -2.9072 -2.9072 -1.8259 -1.8259 1.1724 1.1724 2.2503 2.2503 2.6024 2.6024 2.7907 2.7907 3.4036 3.4036 3.9386 3.9386 4.5706 4.5706 5.5241 5.5241 5.7354 5.7354 6.1125 6.1125 7.0374 7.0374 k = 0.1875 0.0553-0.0504 ( 5697 PWs) bands (ev): -22.9795 -22.9795 -22.9771 -22.9771 -7.6967 -7.6967 -7.6743 -7.6743 -7.0009 -7.0009 -6.8829 -6.8829 -6.7716 -6.7716 -6.7478 -6.7478 -6.6134 -6.6134 -5.7813 -5.7813 -2.9066 -2.9066 -1.8293 -1.8293 1.1595 1.1595 2.2232 2.2232 2.6106 2.6106 2.8055 2.8055 3.4094 3.4094 3.9107 3.9107 4.5911 4.5911 5.5271 5.5271 5.7891 5.7891 6.1031 6.1031 7.0277 7.0277 k = 0.2083 0.0615-0.0560 ( 5701 PWs) bands (ev): -22.9794 -22.9794 -22.9772 -22.9772 -7.6984 -7.6984 -7.6768 -7.6768 -7.0135 -7.0135 -6.8853 -6.8853 -6.7714 -6.7714 -6.7478 -6.7478 -6.5936 -6.5936 -5.7761 -5.7761 -2.9059 -2.9059 -1.8329 -1.8329 1.1462 1.1462 2.1959 2.1959 2.6170 2.6170 2.8219 2.8219 3.4159 3.4159 3.8829 3.8829 4.6124 4.6124 5.5301 5.5301 5.8462 5.8462 6.0940 6.0940 7.0176 7.0176 k = 0.2292 0.0676-0.0616 ( 5699 PWs) bands (ev): -22.9794 -22.9794 -22.9772 -22.9772 -7.7004 -7.7004 -7.6792 -7.6792 -7.0252 -7.0252 -6.8878 -6.8878 -6.7712 -6.7712 -6.7479 -6.7479 -6.5744 -6.5744 -5.7707 -5.7707 -2.9052 -2.9052 -1.8366 -1.8366 1.1325 1.1325 2.1685 2.1685 2.6220 2.6220 2.8395 2.8395 3.4229 3.4229 3.8558 3.8558 4.6343 4.6343 5.5333 5.5333 5.9054 5.9054 6.0861 6.0861 7.0073 7.0073 k = 0.2500 0.0738-0.0672 ( 5700 PWs) bands (ev): -22.9793 -22.9793 -22.9773 -22.9773 -7.7027 -7.7027 -7.6813 -7.6813 -7.0360 -7.0360 -6.8902 -6.8902 -6.7710 -6.7710 -6.7481 -6.7481 -6.5559 -6.5559 -5.7653 -5.7653 -2.9045 -2.9045 -1.8404 -1.8404 1.1188 1.1188 2.1415 2.1415 2.6259 2.6259 2.8578 2.8578 3.4303 3.4303 3.8296 3.8296 4.6568 4.6568 5.5366 5.5366 5.9631 5.9631 6.0820 6.0820 6.9972 6.9972 k = 0.2708 0.0799-0.0728 ( 5691 PWs) bands (ev): -22.9792 -22.9792 -22.9773 -22.9773 -7.7052 -7.7052 -7.6832 -7.6832 -7.0459 -7.0459 -6.8926 -6.8926 -6.7707 -6.7707 -6.7484 -6.7484 -6.5382 -6.5382 -5.7598 -5.7598 -2.9038 -2.9038 -1.8442 -1.8442 1.1054 1.1054 2.1151 2.1151 2.6287 2.6287 2.8762 2.8762 3.4382 3.4382 3.8046 3.8046 4.6796 4.6796 5.5399 5.5399 6.0087 6.0087 6.0915 6.0915 6.9874 6.9874 k = 0.2917 0.0861-0.0784 ( 5693 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.7079 -7.7079 -7.6850 -7.6850 -7.0548 -7.0548 -6.8950 -6.8950 -6.7703 -6.7703 -6.7488 -6.7488 -6.5217 -6.5217 -5.7545 -5.7545 -2.9030 -2.9030 -1.8479 -1.8479 1.0923 1.0923 2.0896 2.0896 2.6309 2.6309 2.8943 2.8943 3.4463 3.4463 3.7812 3.7812 4.7027 4.7027 5.5433 5.5433 6.0251 6.0251 6.1304 6.1304 6.9780 6.9780 k = 0.3125 0.0922-0.0840 ( 5690 PWs) bands (ev): -22.9791 -22.9791 -22.9774 -22.9774 -7.7107 -7.7107 -7.6864 -7.6864 -7.0628 -7.0628 -6.8972 -6.8972 -6.7698 -6.7698 -6.7494 -6.7494 -6.5062 -6.5062 -5.7493 -5.7493 -2.9023 -2.9023 -1.8515 -1.8515 1.0799 1.0799 2.0653 2.0653 2.6325 2.6325 2.9118 2.9118 3.4544 3.4544 3.7595 3.7595 4.7257 4.7257 5.5468 5.5468 6.0239 6.0239 6.1857 6.1857 6.9692 6.9692 k = 0.3333 0.0984-0.0896 ( 5688 PWs) bands (ev): -22.9791 -22.9791 -22.9775 -22.9775 -7.7134 -7.7134 -7.6877 -7.6877 -7.0699 -7.0699 -6.8993 -6.8993 -6.7692 -6.7692 -6.7500 -6.7500 -6.4921 -6.4921 -5.7445 -5.7445 -2.9015 -2.9015 -1.8550 -1.8550 1.0683 1.0683 2.0425 2.0425 2.6337 2.6337 2.9282 2.9282 3.4625 3.4625 3.7397 3.7397 4.7483 4.7483 5.5504 5.5504 6.0182 6.0182 6.2427 6.2427 6.9610 6.9610 k = 0.3542 0.1045-0.0952 ( 5686 PWs) bands (ev): -22.9790 -22.9790 -22.9776 -22.9776 -7.7161 -7.7161 -7.6888 -7.6888 -7.0760 -7.0760 -6.9013 -6.9013 -6.7686 -6.7686 -6.7506 -6.7506 -6.4794 -6.4794 -5.7399 -5.7399 -2.9009 -2.9009 -1.8581 -1.8581 1.0577 1.0577 2.0216 2.0216 2.6345 2.6345 2.9432 2.9432 3.4703 3.4703 3.7219 3.7219 4.7702 4.7702 5.5541 5.5541 6.0116 6.0116 6.2961 6.2961 6.9536 6.9536 k = 0.3750 0.1107-0.1008 ( 5681 PWs) bands (ev): -22.9789 -22.9789 -22.9776 -22.9776 -7.7186 -7.7186 -7.6897 -7.6897 -7.0813 -7.0813 -6.9031 -6.9031 -6.7679 -6.7679 -6.7514 -6.7514 -6.4682 -6.4682 -5.7358 -5.7358 -2.9002 -2.9002 -1.8610 -1.8610 1.0483 1.0483 2.0028 2.0028 2.6352 2.6352 2.9567 2.9567 3.4777 3.4777 3.7062 3.7062 4.7908 4.7908 5.5577 5.5577 6.0051 6.0051 6.3431 6.3431 6.9469 6.9469 k = 0.3958 0.1168-0.1063 ( 5687 PWs) bands (ev): -22.9789 -22.9789 -22.9777 -22.9777 -7.7208 -7.7208 -7.6904 -7.6904 -7.0858 -7.0858 -6.9047 -6.9047 -6.7672 -6.7672 -6.7521 -6.7521 -6.4586 -6.4586 -5.7323 -5.7323 -2.8997 -2.8997 -1.8636 -1.8636 1.0401 1.0401 1.9864 1.9864 2.6356 2.6356 2.9683 2.9683 3.4844 3.4844 3.6928 3.6928 4.8097 4.8097 5.5612 5.5612 5.9991 5.9991 6.3817 6.3817 6.9410 6.9410 k = 0.4167 0.1230-0.1119 ( 5684 PWs) bands (ev): -22.9788 -22.9788 -22.9777 -22.9777 -7.7227 -7.7227 -7.6910 -7.6910 -7.0894 -7.0894 -6.9060 -6.9060 -6.7665 -6.7665 -6.7528 -6.7528 -6.4506 -6.4506 -5.7292 -5.7292 -2.8992 -2.8992 -1.8657 -1.8657 1.0332 1.0332 1.9726 1.9726 2.6359 2.6359 2.9781 2.9781 3.4902 3.4902 3.6817 3.6817 4.8262 4.8262 5.5645 5.5645 5.9940 5.9940 6.4113 6.4113 6.9360 6.9360 k = 0.4375 0.1291-0.1175 ( 5671 PWs) bands (ev): -22.9787 -22.9787 -22.9778 -22.9778 -7.7242 -7.7242 -7.6915 -7.6915 -7.0921 -7.0921 -6.9070 -6.9070 -6.7658 -6.7658 -6.7535 -6.7535 -6.4443 -6.4443 -5.7268 -5.7268 -2.8988 -2.8988 -1.8674 -1.8674 1.0278 1.0278 1.9617 1.9617 2.6362 2.6362 2.9857 2.9857 3.4949 3.4949 3.6730 3.6730 4.8398 4.8398 5.5673 5.5673 5.9898 5.9898 6.4320 6.4320 6.9321 6.9321 k = 0.4583 0.1352-0.1231 ( 5672 PWs) bands (ev): -22.9787 -22.9787 -22.9778 -22.9778 -7.7254 -7.7254 -7.6918 -7.6918 -7.0941 -7.0941 -6.9078 -6.9078 -6.7652 -6.7652 -6.7541 -6.7541 -6.4398 -6.4398 -5.7251 -5.7251 -2.8985 -2.8985 -1.8686 -1.8686 1.0240 1.0240 1.9538 1.9538 2.6363 2.6363 2.9913 2.9913 3.4984 3.4984 3.6668 3.6668 4.8499 4.8499 5.5695 5.5695 5.9867 5.9867 6.4450 6.4450 6.9292 6.9292 k = 0.4792 0.1414-0.1287 ( 5669 PWs) bands (ev): -22.9787 -22.9787 -22.9778 -22.9778 -7.7260 -7.7260 -7.6920 -7.6920 -7.0953 -7.0953 -6.9082 -6.9082 -6.7649 -6.7649 -6.7544 -6.7544 -6.4371 -6.4371 -5.7240 -5.7240 -2.8984 -2.8984 -1.8694 -1.8694 1.0216 1.0216 1.9490 1.9490 2.6364 2.6364 2.9946 2.9946 3.5006 3.5006 3.6630 3.6630 4.8562 4.8562 5.5709 5.5709 5.9849 5.9849 6.4520 6.4520 6.9275 6.9275 k = 0.5000 0.1475-0.1343 ( 5674 PWs) bands (ev): -22.9787 -22.9787 -22.9779 -22.9779 -7.7263 -7.7263 -7.6921 -7.6921 -7.0957 -7.0957 -6.9084 -6.9084 -6.7647 -6.7647 -6.7546 -6.7546 -6.4362 -6.4362 -5.7237 -5.7237 -2.8983 -2.8983 -1.8696 -1.8696 1.0208 1.0208 1.9474 1.9474 2.6364 2.6364 2.9957 2.9957 3.5013 3.5013 3.6617 3.6617 4.8583 4.8583 5.5714 5.5714 5.9842 5.9842 6.4542 6.4542 6.9269 6.9269 k = 0.5000 0.1475-0.1343 ( 5674 PWs) bands (ev): -22.9787 -22.9787 -22.9779 -22.9779 -7.7263 -7.7263 -7.6921 -7.6921 -7.0957 -7.0957 -6.9084 -6.9084 -6.7647 -6.7647 -6.7546 -6.7546 -6.4362 -6.4362 -5.7237 -5.7237 -2.8983 -2.8983 -1.8696 -1.8696 1.0208 1.0208 1.9474 1.9474 2.6364 2.6364 2.9957 2.9957 3.5013 3.5013 3.6617 3.6617 4.8583 4.8583 5.5714 5.5714 5.9842 5.9842 6.4542 6.4542 6.9269 6.9269 k = 0.5054 0.1491-0.1124 ( 5662 PWs) bands (ev): -22.9787 -22.9787 -22.9779 -22.9779 -7.7263 -7.7263 -7.6921 -7.6921 -7.0956 -7.0956 -6.9085 -6.9085 -6.7649 -6.7649 -6.7543 -6.7543 -6.4361 -6.4361 -5.7236 -5.7236 -2.8973 -2.8973 -1.8715 -1.8715 1.0210 1.0210 1.9498 1.9498 2.6364 2.6364 2.9945 2.9945 3.4942 3.4942 3.6711 3.6711 4.8542 4.8542 5.5709 5.5709 5.9840 5.9840 6.4529 6.4529 6.9287 6.9287 k = 0.5108 0.1507-0.0905 ( 5662 PWs) bands (ev): -22.9786 -22.9786 -22.9779 -22.9779 -7.7263 -7.7263 -7.6922 -7.6922 -7.0955 -7.0955 -6.9090 -6.9090 -6.7652 -6.7652 -6.7537 -6.7537 -6.4360 -6.4360 -5.7235 -5.7235 -2.8943 -2.8943 -1.8772 -1.8772 1.0217 1.0217 1.9570 1.9570 2.6366 2.6366 2.9908 2.9908 3.4766 3.4766 3.6955 3.6955 4.8422 4.8422 5.5694 5.5694 5.9830 5.9830 6.4493 6.4493 6.9341 6.9341 k = 0.5163 0.1523-0.0686 ( 5665 PWs) bands (ev): -22.9786 -22.9786 -22.9779 -22.9779 -7.7264 -7.7264 -7.6923 -7.6923 -7.0953 -7.0953 -6.9098 -6.9098 -6.7656 -6.7656 -6.7527 -6.7527 -6.4358 -6.4358 -5.7233 -5.7233 -2.8893 -2.8893 -1.8867 -1.8867 1.0231 1.0231 1.9684 1.9684 2.6368 2.6368 2.9852 2.9852 3.4545 3.4545 3.7286 3.7286 4.8226 4.8226 5.5666 5.5666 5.9813 5.9813 6.4433 6.4433 6.9431 6.9431 k = 0.5217 0.1539-0.0466 ( 5665 PWs) bands (ev): -22.9786 -22.9786 -22.9779 -22.9779 -7.7265 -7.7265 -7.6925 -7.6925 -7.0950 -7.0950 -6.9109 -6.9109 -6.7661 -6.7661 -6.7515 -6.7515 -6.4355 -6.4355 -5.7229 -5.7229 -2.8823 -2.8823 -1.8997 -1.8997 1.0252 1.0252 1.9832 1.9832 2.6373 2.6373 2.9781 2.9781 3.4314 3.4314 3.7666 3.7666 4.7961 4.7961 5.5625 5.5625 5.9784 5.9784 6.4353 6.4353 6.9556 6.9556 k = 0.5271 0.1555-0.0247 ( 5666 PWs) bands (ev): -22.9786 -22.9786 -22.9779 -22.9779 -7.7266 -7.7266 -7.6927 -7.6927 -7.0946 -7.0946 -6.9123 -6.9123 -6.7664 -6.7664 -6.7502 -6.7502 -6.4351 -6.4351 -5.7225 -5.7225 -2.8734 -2.8734 -1.9160 -1.9160 1.0284 1.0284 2.0006 2.0006 2.6382 2.6382 2.9704 2.9704 3.4091 3.4091 3.8074 3.8074 4.7634 4.7634 5.5566 5.5566 5.9742 5.9742 6.4255 6.4255 6.9715 6.9715 k = 0.5325 0.1571-0.0028 ( 5665 PWs) bands (ev): -22.9786 -22.9786 -22.9779 -22.9779 -7.7266 -7.7266 -7.6930 -7.6930 -7.0941 -7.0941 -6.9139 -6.9139 -6.7667 -6.7667 -6.7489 -6.7489 -6.4347 -6.4347 -5.7221 -5.7221 -2.8625 -2.8625 -1.9356 -1.9356 1.0329 1.0329 2.0192 2.0192 2.6397 2.6397 2.9631 2.9631 3.3881 3.3881 3.8497 3.8497 4.7255 4.7255 5.5486 5.5486 5.9688 5.9688 6.4144 6.4144 6.9906 6.9906 k = 0.5379 0.1587 0.0192 ( 5677 PWs) bands (ev): -22.9786 -22.9786 -22.9780 -22.9780 -7.7267 -7.7267 -7.6933 -7.6933 -7.0935 -7.0935 -6.9158 -6.9158 -6.7669 -6.7669 -6.7475 -6.7475 -6.4343 -6.4343 -5.7216 -5.7216 -2.8499 -2.8499 -1.9580 -1.9580 1.0387 1.0387 2.0377 2.0377 2.6422 2.6422 2.9571 2.9571 3.3686 3.3686 3.8924 3.8924 4.6835 4.6835 5.5380 5.5380 5.9622 5.9622 6.4023 6.4023 7.0127 7.0127 k = 0.5434 0.1603 0.0411 ( 5679 PWs) bands (ev): -22.9786 -22.9786 -22.9780 -22.9780 -7.7266 -7.7266 -7.6938 -7.6938 -7.0927 -7.0927 -6.9179 -6.9179 -6.7669 -6.7669 -6.7462 -6.7462 -6.4339 -6.4339 -5.7210 -5.7210 -2.8354 -2.8354 -1.9829 -1.9829 1.0461 1.0461 2.0549 2.0549 2.6459 2.6459 2.9537 2.9537 3.3509 3.3509 3.9345 3.9345 4.6384 4.6384 5.5246 5.5246 5.9549 5.9549 6.3896 6.3896 7.0376 7.0376 k = 0.5488 0.1619 0.0630 ( 5690 PWs) bands (ev): -22.9785 -22.9785 -22.9780 -22.9780 -7.7265 -7.7265 -7.6943 -7.6943 -7.0919 -7.0919 -6.9202 -6.9202 -6.7668 -6.7668 -6.7450 -6.7450 -6.4336 -6.4336 -5.7204 -5.7204 -2.8194 -2.8194 -2.0099 -2.0099 1.0548 1.0548 2.0693 2.0693 2.6513 2.6513 2.9539 2.9539 3.3347 3.3347 3.9747 3.9747 4.5915 4.5915 5.5083 5.5083 5.9474 5.9474 6.3765 6.3765 7.0651 7.0651 k = 0.5542 0.1635 0.0849 ( 5694 PWs) bands (ev): -22.9785 -22.9785 -22.9781 -22.9781 -7.7262 -7.7262 -7.6948 -7.6948 -7.0909 -7.0909 -6.9226 -6.9226 -6.7666 -6.7666 -6.7439 -6.7439 -6.4334 -6.4334 -5.7197 -5.7197 -2.8020 -2.8020 -2.0386 -2.0386 1.0649 1.0649 2.0803 2.0803 2.6582 2.6582 2.9585 2.9585 3.3200 3.3200 4.0116 4.0116 4.5443 4.5443 5.4894 5.4894 5.9404 5.9404 6.3633 6.3633 7.0948 7.0948 k = 0.5596 0.1651 0.1069 ( 5696 PWs) bands (ev): -22.9785 -22.9785 -22.9781 -22.9781 -7.7258 -7.7258 -7.6955 -7.6955 -7.0898 -7.0898 -6.9250 -6.9250 -6.7663 -6.7663 -6.7429 -6.7429 -6.4334 -6.4334 -5.7190 -5.7190 -2.7834 -2.7834 -2.0683 -2.0683 1.0761 1.0761 2.0872 2.0872 2.6666 2.6666 2.9683 2.9683 3.3067 3.3067 4.0433 4.0433 4.4983 4.4983 5.4686 5.4686 5.9342 5.9342 6.3501 6.3501 7.1265 7.1265 k = 0.5650 0.1667 0.1288 ( 5695 PWs) bands (ev): -22.9785 -22.9785 -22.9781 -22.9781 -7.7253 -7.7253 -7.6961 -7.6961 -7.0885 -7.0885 -6.9275 -6.9275 -6.7660 -6.7660 -6.7420 -6.7420 -6.4336 -6.4336 -5.7183 -5.7183 -2.7640 -2.7640 -2.0985 -2.0985 1.0879 1.0879 2.0904 2.0904 2.6759 2.6759 2.9838 2.9838 3.2948 3.2948 4.0670 4.0670 4.4558 4.4558 5.4474 5.4474 5.9291 5.9291 6.3369 6.3369 7.1598 7.1598 k = 0.5705 0.1683 0.1507 ( 5696 PWs) bands (ev): -22.9784 -22.9784 -22.9781 -22.9781 -7.7246 -7.7246 -7.6968 -7.6968 -7.0872 -7.0872 -6.9299 -6.9299 -6.7656 -6.7656 -6.7413 -6.7413 -6.4341 -6.4341 -5.7175 -5.7175 -2.7442 -2.7442 -2.1284 -2.1284 1.1000 1.1000 2.0905 2.0905 2.6853 2.6853 3.0050 3.0050 3.2844 3.2844 4.0800 4.0800 4.4190 4.4190 5.4275 5.4275 5.9252 5.9252 6.3238 6.3238 7.1943 7.1943 k = 0.5759 0.1699 0.1727 ( 5705 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7238 -7.7238 -7.6976 -7.6976 -7.0857 -7.0857 -6.9323 -6.9323 -6.7652 -6.7652 -6.7407 -6.7407 -6.4348 -6.4348 -5.7167 -5.7167 -2.7247 -2.7247 -2.1571 -2.1571 1.1118 1.1118 2.0886 2.0886 2.6942 2.6942 3.0312 3.0312 3.2754 3.2754 4.0798 4.0798 4.3896 4.3896 5.4109 5.4109 5.9223 5.9223 6.3106 6.3106 7.2296 7.2296 k = 0.5759 0.1699 0.1727 ( 5705 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7238 -7.7238 -7.6976 -7.6976 -7.0857 -7.0857 -6.9323 -6.9323 -6.7652 -6.7652 -6.7407 -6.7407 -6.4348 -6.4348 -5.7167 -5.7167 -2.7247 -2.7247 -2.1571 -2.1571 1.1118 1.1118 2.0886 2.0886 2.6942 2.6942 3.0312 3.0312 3.2754 3.2754 4.0798 4.0798 4.3896 4.3896 5.4109 5.4109 5.9223 5.9223 6.3106 6.3106 7.2296 7.2296 k = 0.5650 0.1667 0.1919 ( 5711 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7230 -7.7230 -7.6994 -7.6994 -7.0851 -7.0851 -6.9365 -6.9365 -6.7649 -6.7649 -6.7405 -6.7405 -6.4333 -6.4333 -5.7111 -5.7111 -2.7116 -2.7116 -2.1800 -2.1800 1.1131 1.1131 2.0923 2.0923 2.7019 2.7019 3.0546 3.0546 3.2715 3.2715 4.0642 4.0642 4.3799 4.3799 5.4100 5.4100 5.9188 5.9188 6.2770 6.2770 7.2558 7.2558 k = 0.5542 0.1635 0.2110 ( 5707 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7219 -7.7219 -7.7012 -7.7012 -7.0844 -7.0844 -6.9403 -6.9403 -6.7646 -6.7646 -6.7404 -6.7404 -6.4320 -6.4320 -5.7061 -5.7061 -2.6991 -2.6991 -2.2011 -2.2011 1.1147 1.1147 2.0937 2.0937 2.7086 2.7086 3.0813 3.0813 3.2684 3.2684 4.0410 4.0410 4.3754 4.3754 5.4103 5.4103 5.9150 5.9150 6.2472 6.2472 7.2818 7.2818 k = 0.5434 0.1603 0.2302 ( 5718 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7207 -7.7207 -7.7031 -7.7031 -7.0837 -7.0837 -6.9437 -6.9437 -6.7643 -6.7643 -6.7403 -6.7403 -6.4311 -6.4311 -5.7019 -5.7019 -2.6879 -2.6879 -2.2197 -2.2197 1.1163 1.1163 2.0937 2.0937 2.7140 2.7140 3.1094 3.1094 3.2660 3.2660 4.0136 4.0136 4.3744 4.3744 5.4113 5.4113 5.9114 5.9114 6.2220 6.2220 7.3076 7.3076 k = 0.5325 0.1571 0.2494 ( 5723 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7195 -7.7195 -7.7048 -7.7048 -7.0831 -7.0831 -6.9464 -6.9464 -6.7640 -6.7640 -6.7402 -6.7402 -6.4303 -6.4303 -5.6985 -5.6985 -2.6783 -2.6783 -2.2351 -2.2351 1.1178 1.1178 2.0928 2.0928 2.7180 2.7180 3.1362 3.1362 3.2642 3.2642 3.9862 3.9862 4.3753 4.3753 5.4125 5.4125 5.9082 5.9082 6.2018 6.2018 7.3326 7.3326 k = 0.5217 0.1539 0.2686 ( 5718 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7183 -7.7183 -7.7064 -7.7064 -7.0826 -7.0826 -6.9485 -6.9485 -6.7638 -6.7638 -6.7402 -6.7402 -6.4298 -6.4298 -5.6959 -5.6959 -2.6708 -2.6708 -2.2468 -2.2468 1.1191 1.1191 2.0917 2.0917 2.7208 2.7208 3.1587 3.1587 3.2631 3.2631 3.9626 3.9626 4.3768 4.3768 5.4138 5.4138 5.9058 5.9058 6.1871 6.1871 7.3560 7.3560 k = 0.5108 0.1507 0.2878 ( 5719 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7173 -7.7173 -7.7075 -7.7075 -7.0823 -7.0823 -6.9497 -6.9497 -6.7637 -6.7637 -6.7401 -6.7401 -6.4295 -6.4295 -5.6944 -5.6944 -2.6661 -2.6661 -2.2541 -2.2541 1.1198 1.1198 2.0908 2.0908 2.7225 2.7225 3.1737 3.1737 3.2625 3.2625 3.9467 3.9467 4.3780 4.3780 5.4146 5.4146 5.9043 5.9043 6.1782 6.1782 7.3755 7.3755 k = 0.5000 0.1475 0.3070 ( 5726 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7169 -7.7169 -7.7080 -7.7080 -7.0822 -7.0822 -6.9502 -6.9502 -6.7636 -6.7636 -6.7401 -6.7401 -6.4294 -6.4294 -5.6939 -5.6939 -2.6645 -2.6645 -2.2566 -2.2566 1.1201 1.1201 2.0905 2.0905 2.7230 2.7230 3.1790 3.1790 3.2623 3.2623 3.9410 3.9410 4.3785 4.3785 5.4149 5.4149 5.9038 5.9038 6.1752 6.1752 7.3843 7.3843 k = 0.5000 0.1475 0.3070 ( 5726 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7169 -7.7169 -7.7080 -7.7080 -7.0822 -7.0822 -6.9502 -6.9502 -6.7636 -6.7636 -6.7401 -6.7401 -6.4294 -6.4294 -5.6939 -5.6939 -2.6645 -2.6645 -2.2566 -2.2566 1.1201 1.1201 2.0905 2.0905 2.7230 2.7230 3.1790 3.1790 3.2623 3.2623 3.9410 3.9410 4.3785 4.3785 5.4149 5.4149 5.9038 5.9038 6.1752 6.1752 7.3843 7.3843 k = 0.5066 0.1253 0.3070 ( 5722 PWs) bands (ev): -22.9783 -22.9783 -22.9783 -22.9783 -7.7169 -7.7169 -7.7080 -7.7080 -7.0816 -7.0816 -6.9500 -6.9500 -6.7640 -6.7640 -6.7405 -6.7405 -6.4288 -6.4288 -5.6928 -5.6928 -2.6653 -2.6653 -2.2566 -2.2566 1.1210 1.1210 2.0896 2.0896 2.7134 2.7134 3.1519 3.1519 3.2794 3.2794 3.9380 3.9380 4.3781 4.3781 5.4315 5.4315 5.9157 5.9157 6.1766 6.1766 7.3762 7.3762 k = 0.5131 0.1031 0.3070 ( 5722 PWs) bands (ev): -22.9782 -22.9782 -22.9782 -22.9782 -7.7168 -7.7168 -7.7080 -7.7080 -7.0800 -7.0800 -6.9494 -6.9494 -6.7649 -6.7649 -6.7415 -6.7415 -6.4270 -6.4270 -5.6894 -5.6894 -2.6677 -2.6677 -2.2568 -2.2568 1.1238 1.1238 2.0866 2.0866 2.6852 2.6852 3.0946 3.0946 3.3074 3.3074 3.9296 3.9296 4.3770 4.3770 5.4795 5.4795 5.9507 5.9507 6.1812 6.1812 7.3525 7.3525 k = 0.5197 0.0808 0.3070 ( 5718 PWs) bands (ev): -22.9780 -22.9780 -22.9780 -22.9780 -7.7166 -7.7166 -7.7079 -7.7079 -7.0773 -7.0773 -6.9485 -6.9485 -6.7666 -6.7666 -6.7432 -6.7432 -6.4240 -6.4240 -5.6837 -5.6837 -2.6716 -2.6716 -2.2572 -2.2572 1.1282 1.1282 2.0813 2.0813 2.6404 2.6404 3.0220 3.0220 3.3334 3.3334 3.9174 3.9174 4.3756 4.3756 5.5542 5.5542 6.0063 6.0063 6.1901 6.1901 7.3144 7.3144 k = 0.5263 0.0586 0.3070 ( 5714 PWs) bands (ev): -22.9778 -22.9778 -22.9778 -22.9778 -7.7163 -7.7163 -7.7079 -7.7079 -7.0735 -7.0735 -6.9473 -6.9473 -6.7688 -6.7688 -6.7455 -6.7455 -6.4197 -6.4197 -5.6757 -5.6757 -2.6773 -2.6773 -2.2578 -2.2578 1.1343 1.1343 2.0730 2.0730 2.5819 2.5819 2.9384 2.9384 3.3563 3.3563 3.9028 3.9028 4.3740 4.3740 5.6493 5.6493 6.0768 6.0768 6.2071 6.2071 7.2631 7.2631 k = 0.5328 0.0363 0.3070 ( 5718 PWs) bands (ev): -22.9775 -22.9775 -22.9775 -22.9775 -7.7161 -7.7161 -7.7079 -7.7079 -7.0687 -7.0687 -6.9457 -6.9457 -6.7717 -6.7717 -6.7484 -6.7484 -6.4141 -6.4141 -5.6654 -5.6654 -2.6847 -2.6847 -2.2587 -2.2587 1.1418 1.1418 2.0607 2.0607 2.5127 2.5127 2.8473 2.8473 3.3769 3.3769 3.8871 3.8871 4.3720 4.3720 5.7579 5.7579 6.1460 6.1460 6.2464 6.2464 7.1979 7.1979 k = 0.5394 0.0141 0.3070 ( 5722 PWs) bands (ev): -22.9772 -22.9772 -22.9772 -22.9772 -7.7158 -7.7158 -7.7079 -7.7079 -7.0630 -7.0630 -6.9438 -6.9438 -6.7752 -6.7752 -6.7519 -6.7519 -6.4071 -6.4071 -5.6528 -5.6528 -2.6941 -2.6941 -2.2602 -2.2602 1.1505 1.1505 2.0430 2.0430 2.4355 2.4355 2.7531 2.7531 3.3959 3.3959 3.8706 3.8706 4.3695 4.3695 5.8714 5.8714 6.1929 6.1929 6.3278 6.3278 7.1205 7.1205 k = 0.5459-0.0082 0.3070 ( 5716 PWs) bands (ev): -22.9768 -22.9768 -22.9768 -22.9768 -7.7156 -7.7156 -7.7079 -7.7079 -7.0563 -7.0563 -6.9417 -6.9417 -6.7792 -6.7792 -6.7558 -6.7558 -6.3986 -6.3986 -5.6378 -5.6378 -2.7055 -2.7055 -2.2625 -2.2625 1.1599 1.1599 2.0183 2.0183 2.3522 2.3522 2.6611 2.6611 3.4142 3.4142 3.8533 3.8533 4.3660 4.3660 5.9778 5.9778 6.2352 6.2352 6.4350 6.4350 7.0382 7.0382 k = 0.5525-0.0304 0.3070 ( 5708 PWs) bands (ev): -22.9764 -22.9764 -22.9764 -22.9764 -7.7155 -7.7155 -7.7079 -7.7079 -7.0489 -7.0489 -6.9393 -6.9393 -6.7837 -6.7837 -6.7602 -6.7602 -6.3885 -6.3885 -5.6205 -5.6205 -2.7191 -2.7191 -2.2656 -2.2656 1.1695 1.1695 1.9852 1.9852 2.2635 2.2635 2.5771 2.5771 3.4322 3.4322 3.8349 3.8349 4.3613 4.3613 6.0594 6.0594 6.2983 6.2983 6.5446 6.5446 6.9573 6.9573 k = 0.5591-0.0526 0.3070 ( 5706 PWs) bands (ev): -22.9759 -22.9759 -22.9759 -22.9759 -7.7154 -7.7154 -7.7080 -7.7080 -7.0407 -7.0407 -6.9367 -6.9367 -6.7888 -6.7888 -6.7650 -6.7650 -6.3768 -6.3768 -5.6008 -5.6008 -2.7352 -2.7352 -2.2700 -2.2700 1.1787 1.1787 1.9434 1.9434 2.1693 2.1693 2.5062 2.5062 3.4501 3.4501 3.8150 3.8150 4.3551 4.3551 6.1078 6.1078 6.3871 6.3871 6.6292 6.6292 6.8867 6.8867 k = 0.5656-0.0749 0.3070 ( 5708 PWs) bands (ev): -22.9754 -22.9754 -22.9754 -22.9754 -7.7155 -7.7155 -7.7082 -7.7082 -7.0319 -7.0319 -6.9340 -6.9340 -6.7942 -6.7942 -6.7700 -6.7700 -6.3633 -6.3633 -5.5786 -5.5786 -2.7538 -2.7538 -2.2759 -2.2759 1.1864 1.1864 1.8941 1.8941 2.0705 2.0705 2.4508 2.4508 3.4678 3.4678 3.7932 3.7932 4.3472 4.3472 6.1336 6.1336 6.4777 6.4777 6.6514 6.6514 6.8380 6.8380 k = 0.5722-0.0971 0.3070 ( 5706 PWs) bands (ev): -22.9748 -22.9748 -22.9748 -22.9748 -7.7157 -7.7157 -7.7085 -7.7085 -7.0226 -7.0226 -6.9312 -6.9312 -6.8000 -6.8000 -6.7752 -6.7752 -6.3478 -6.3478 -5.5540 -5.5540 -2.7753 -2.7753 -2.2837 -2.2837 1.1912 1.1912 1.8398 1.8398 1.9699 1.9699 2.4097 2.4097 3.4853 3.4853 3.7692 3.7692 4.3375 4.3375 6.1474 6.1474 6.5188 6.5188 6.6327 6.6327 6.8278 6.8278 k = 0.5788-0.1194 0.3070 ( 5700 PWs) bands (ev): -22.9742 -22.9742 -22.9742 -22.9742 -7.7161 -7.7161 -7.7090 -7.7090 -7.0130 -7.0130 -6.9284 -6.9284 -6.8061 -6.8061 -6.7804 -6.7804 -6.3304 -6.3304 -5.5270 -5.5270 -2.7999 -2.7999 -2.2936 -2.2936 1.1917 1.1917 1.7802 1.7802 1.8746 1.8746 2.3798 2.3798 3.5016 3.5016 3.7433 3.7433 4.3258 4.3258 6.1536 6.1536 6.4793 6.4793 6.6098 6.6098 6.8793 6.8793 k = 0.5853-0.1416 0.3070 ( 5692 PWs) bands (ev): -22.9736 -22.9736 -22.9735 -22.9735 -7.7167 -7.7167 -7.7095 -7.7095 -7.0032 -7.0032 -6.9255 -6.9255 -6.8123 -6.8123 -6.7856 -6.7856 -6.3109 -6.3109 -5.4974 -5.4974 -2.8276 -2.8276 -2.3061 -2.3061 1.1862 1.1862 1.7075 1.7075 1.7997 1.7997 2.3577 2.3577 3.5155 3.5155 3.7164 3.7164 4.3121 4.3121 6.1527 6.1527 6.4119 6.4119 6.5715 6.5715 6.9678 6.9678 k = 0.5919-0.1639 0.3070 ( 5692 PWs) bands (ev): -22.9729 -22.9729 -22.9729 -22.9729 -7.7174 -7.7174 -7.7103 -7.7103 -6.9935 -6.9935 -6.9228 -6.9228 -6.8187 -6.8187 -6.7907 -6.7907 -6.2891 -6.2891 -5.4653 -5.4653 -2.8588 -2.8588 -2.3217 -2.3217 1.1734 1.1734 1.6183 1.6183 1.7539 1.7539 2.3406 2.3406 3.5234 3.5234 3.6915 3.6915 4.2964 4.2964 6.1425 6.1425 6.3446 6.3446 6.5284 6.5284 7.0617 7.0617 k = 0.5985-0.1861 0.3070 ( 5700 PWs) bands (ev): -22.9723 -22.9723 -22.9722 -22.9722 -7.7184 -7.7184 -7.7112 -7.7112 -6.9839 -6.9839 -6.9202 -6.9202 -6.8249 -6.8249 -6.7955 -6.7955 -6.2651 -6.2651 -5.4307 -5.4307 -2.8935 -2.8935 -2.3405 -2.3405 1.1531 1.1531 1.5243 1.5243 1.7292 1.7292 2.3265 2.3265 3.5194 3.5194 3.6743 3.6743 4.2787 4.2787 6.1183 6.1183 6.2888 6.2888 6.4878 6.4878 7.1477 7.1477 k = 0.6050-0.2083 0.3070 ( 5692 PWs) bands (ev): -22.9716 -22.9716 -22.9714 -22.9714 -7.7196 -7.7196 -7.7123 -7.7123 -6.9748 -6.9748 -6.9179 -6.9179 -6.8310 -6.8310 -6.7998 -6.7998 -6.2386 -6.2386 -5.3934 -5.3934 -2.9319 -2.9319 -2.3632 -2.3632 1.1265 1.1265 1.4328 1.4328 1.7197 1.7197 2.3137 2.3137 3.4976 3.4976 3.6704 3.6704 4.2591 4.2591 6.0773 6.0773 6.2501 6.2501 6.4527 6.4527 7.2186 7.2186 k = 0.6116-0.2306 0.3070 ( 5688 PWs) bands (ev): -22.9708 -22.9708 -22.9707 -22.9707 -7.7210 -7.7210 -7.7136 -7.7136 -6.9664 -6.9664 -6.9158 -6.9158 -6.8366 -6.8366 -6.8036 -6.8036 -6.2098 -6.2098 -5.3537 -5.3537 -2.9740 -2.9740 -2.3901 -2.3901 1.0957 1.0957 1.3466 1.3466 1.7222 1.7222 2.3011 2.3011 3.4590 3.4590 3.6786 3.6786 4.2378 4.2378 6.0244 6.0244 6.2250 6.2250 6.4242 6.4242 7.2686 7.2686 k = 0.6181-0.2528 0.3070 ( 5686 PWs) bands (ev): -22.9701 -22.9701 -22.9699 -22.9699 -7.7226 -7.7226 -7.7152 -7.7152 -6.9590 -6.9590 -6.9140 -6.9140 -6.8416 -6.8416 -6.8069 -6.8069 -6.1785 -6.1785 -5.3113 -5.3113 -3.0199 -3.0199 -2.4214 -2.4214 1.0632 1.0632 1.2674 1.2674 1.7338 1.7338 2.2880 2.2880 3.4088 3.4088 3.6943 3.6943 4.2148 4.2148 5.9679 5.9679 6.2062 6.2062 6.4029 6.4029 7.2923 7.2923 k = 0.6247-0.2751 0.3070 ( 5682 PWs) bands (ev): -22.9694 -22.9694 -22.9692 -22.9692 -7.7244 -7.7244 -7.7169 -7.7169 -6.9529 -6.9529 -6.9127 -6.9127 -6.8457 -6.8457 -6.8094 -6.8094 -6.1448 -6.1448 -5.2663 -5.2663 -3.0694 -3.0694 -2.4575 -2.4575 1.0314 1.0314 1.1961 1.1961 1.7521 1.7521 2.2736 2.2736 3.3506 3.3506 3.7137 3.7137 4.1902 4.1902 5.9131 5.9131 6.1891 6.1891 6.3888 6.3888 7.2876 7.2876 k = 0.6313-0.2973 0.3070 ( 5684 PWs) bands (ev): -22.9686 -22.9686 -22.9684 -22.9684 -7.7264 -7.7264 -7.7189 -7.7189 -6.9482 -6.9482 -6.9119 -6.9119 -6.8486 -6.8486 -6.8112 -6.8112 -6.1086 -6.1086 -5.2188 -5.2188 -3.1226 -3.1226 -2.4987 -2.4987 1.0018 1.0018 1.1337 1.1337 1.7750 1.7750 2.2575 2.2575 3.2868 3.2868 3.7352 3.7352 4.1643 4.1643 5.8626 5.8626 6.1718 6.1718 6.3820 6.3820 7.2570 7.2570 k = 0.6378-0.3196 0.3070 ( 5684 PWs) bands (ev): -22.9679 -22.9679 -22.9677 -22.9677 -7.7285 -7.7285 -7.7211 -7.7211 -6.9451 -6.9451 -6.9120 -6.9120 -6.8499 -6.8499 -6.8122 -6.8122 -6.0701 -6.0701 -5.1687 -5.1687 -3.1791 -3.1791 -2.5450 -2.5450 0.9755 0.9755 1.0808 1.0808 1.8009 1.8009 2.2393 2.2393 3.2191 3.2191 3.7577 3.7577 4.1372 4.1372 5.8175 5.8175 6.1533 6.1533 6.3821 6.3821 7.2070 7.2070 k = 0.6444-0.3418 0.3070 ( 5674 PWs) bands (ev): -22.9672 -22.9672 -22.9669 -22.9669 -7.7307 -7.7307 -7.7233 -7.7233 -6.9435 -6.9435 -6.9130 -6.9130 -6.8495 -6.8495 -6.8126 -6.8126 -6.0293 -6.0293 -5.1160 -5.1160 -3.2388 -3.2388 -2.5964 -2.5964 0.9529 0.9529 1.0381 1.0381 1.8280 1.8280 2.2189 2.2189 3.1487 3.1487 3.7806 3.7806 4.1092 4.1092 5.7786 5.7786 6.1334 6.1334 6.3891 6.3891 7.1442 7.1442 k = 0.6510-0.3640 0.3070 ( 5668 PWs) bands (ev): -22.9665 -22.9665 -22.9662 -22.9662 -7.7331 -7.7331 -7.7258 -7.7258 -6.9431 -6.9431 -6.9149 -6.9149 -6.8475 -6.8475 -6.8124 -6.8124 -5.9864 -5.9864 -5.0609 -5.0609 -3.3012 -3.3012 -2.6529 -2.6529 0.9342 0.9342 1.0062 1.0062 1.8548 1.8548 2.1961 2.1961 3.0772 3.0772 3.8035 3.8035 4.0807 4.0807 5.7456 5.7456 6.1126 6.1126 6.4026 6.4026 7.0736 7.0736 k = 0.6575-0.3863 0.3070 ( 5666 PWs) bands (ev): -22.9658 -22.9658 -22.9655 -22.9655 -7.7355 -7.7355 -7.7283 -7.7283 -6.9436 -6.9436 -6.9177 -6.9177 -6.8443 -6.8443 -6.8117 -6.8117 -5.9416 -5.9416 -5.0032 -5.0032 -3.3661 -3.3661 -2.7144 -2.7144 0.9192 0.9192 0.9855 0.9855 1.8796 1.8796 2.1714 2.1714 3.0060 3.0060 3.8257 3.8257 4.0521 4.0521 5.7184 5.7184 6.0914 6.0914 6.4221 6.4221 6.9987 6.9987 k = 0.6641-0.4085 0.3070 ( 5662 PWs) bands (ev): -22.9651 -22.9651 -22.9648 -22.9648 -7.7379 -7.7379 -7.7309 -7.7309 -6.9449 -6.9449 -6.9209 -6.9209 -6.8403 -6.8403 -6.8106 -6.8106 -5.8951 -5.8951 -4.9431 -4.9431 -3.4328 -3.4328 -2.7805 -2.7805 0.9084 0.9084 0.9754 0.9754 1.9003 1.9003 2.1449 2.1449 2.9368 2.9368 3.8465 3.8465 4.0243 4.0243 5.6962 5.6962 6.0711 6.0711 6.4473 6.4473 6.9217 6.9217 k = 0.6706-0.4308 0.3070 ( 5666 PWs) bands (ev): -22.9645 -22.9645 -22.9641 -22.9641 -7.7404 -7.7404 -7.7336 -7.7336 -6.9465 -6.9465 -6.9245 -6.9245 -6.8359 -6.8359 -6.8092 -6.8092 -5.8472 -5.8472 -4.8806 -4.8806 -3.5009 -3.5009 -2.8509 -2.8509 0.9028 0.9028 0.9746 0.9746 1.9145 1.9145 2.1175 2.1175 2.8716 2.8716 3.8643 3.8643 3.9991 3.9991 5.6779 5.6779 6.0532 6.0532 6.4776 6.4776 6.8439 6.8439 k = 0.6772-0.4530 0.3070 ( 5670 PWs) bands (ev): -22.9639 -22.9639 -22.9635 -22.9635 -7.7428 -7.7428 -7.7362 -7.7362 -6.9485 -6.9485 -6.9282 -6.9282 -6.8313 -6.8313 -6.8076 -6.8076 -5.7983 -5.7983 -4.8159 -4.8159 -3.5698 -3.5698 -2.9252 -2.9252 0.9031 0.9031 0.9818 0.9818 1.9195 1.9195 2.0898 2.0898 2.8126 2.8126 3.8759 3.8759 3.9798 3.9798 5.6622 5.6622 6.0393 6.0393 6.5123 6.5123 6.7662 6.7662 k = 0.6838-0.4753 0.3070 ( 5676 PWs) bands (ev): -22.9634 -22.9634 -22.9629 -22.9629 -7.7452 -7.7452 -7.7388 -7.7388 -6.9506 -6.9506 -6.9318 -6.9318 -6.8266 -6.8266 -6.8059 -6.8059 -5.7487 -5.7487 -4.7489 -4.7489 -3.6388 -3.6388 -3.0030 -3.0030 0.9098 0.9098 0.9960 0.9960 1.9132 1.9132 2.0619 2.0619 2.7620 2.7620 3.8762 3.8762 3.9717 3.9717 5.6478 5.6478 6.0313 6.0313 6.5509 6.5509 6.6896 6.6896 k = 0.6903-0.4975 0.3070 ( 5676 PWs) bands (ev): -22.9628 -22.9628 -22.9624 -22.9624 -7.7475 -7.7475 -7.7413 -7.7413 -6.9526 -6.9526 -6.9352 -6.9352 -6.8221 -6.8221 -6.8042 -6.8042 -5.6991 -5.6991 -4.6798 -4.6798 -3.7070 -3.7070 -3.0837 -3.0837 0.9227 0.9227 1.0163 1.0163 1.8955 1.8955 2.0325 2.0325 2.7218 2.7218 3.8645 3.8645 3.9758 3.9758 5.6335 5.6335 6.0307 6.0307 6.5901 6.5901 6.6169 6.6169 k = 0.6969-0.5197 0.3070 ( 5676 PWs) bands (ev): -22.9624 -22.9624 -22.9619 -22.9619 -7.7496 -7.7496 -7.7436 -7.7436 -6.9546 -6.9546 -6.9385 -6.9385 -6.8179 -6.8179 -6.8024 -6.8024 -5.6501 -5.6501 -4.6089 -4.6089 -3.7736 -3.7736 -3.1669 -3.1669 0.9416 0.9416 1.0420 1.0420 1.8683 1.8683 1.9988 1.9988 2.6930 2.6930 3.8467 3.8467 3.9862 3.9862 5.6188 5.6188 6.0383 6.0383 6.5386 6.5386 6.6391 6.6391 k = 0.7035-0.5420 0.3070 ( 5678 PWs) bands (ev): -22.9619 -22.9619 -22.9614 -22.9614 -7.7516 -7.7516 -7.7458 -7.7458 -6.9564 -6.9564 -6.9414 -6.9414 -6.8139 -6.8139 -6.8007 -6.8007 -5.6025 -5.6025 -4.5362 -4.5362 -3.8376 -3.8376 -3.2518 -3.2518 0.9660 0.9660 1.0726 1.0726 1.8346 1.8346 1.9588 1.9588 2.6750 2.6750 3.8281 3.8281 3.9979 3.9979 5.6040 5.6040 6.0542 6.0542 6.4676 6.4676 6.6844 6.6844 k = 0.7100-0.5642 0.3070 ( 5678 PWs) bands (ev): -22.9616 -22.9616 -22.9610 -22.9610 -7.7533 -7.7533 -7.7478 -7.7478 -6.9580 -6.9580 -6.9439 -6.9439 -6.8103 -6.8103 -6.7992 -6.7992 -5.5573 -5.5573 -4.4620 -4.4620 -3.8977 -3.8977 -3.3380 -3.3380 0.9953 0.9953 1.1073 1.1073 1.7972 1.7972 1.9124 1.9124 2.6659 2.6659 3.8116 3.8116 4.0083 4.0083 5.5899 5.5899 6.0770 6.0770 6.3997 6.3997 6.7294 6.7294 k = 0.7166-0.5865 0.3070 ( 5672 PWs) bands (ev): -22.9613 -22.9613 -22.9606 -22.9606 -7.7548 -7.7548 -7.7495 -7.7495 -6.9593 -6.9593 -6.9461 -6.9461 -6.8070 -6.8070 -6.7977 -6.7977 -5.5155 -5.5155 -4.3869 -4.3869 -3.9527 -3.9527 -3.4246 -3.4246 1.0286 1.0286 1.1453 1.1453 1.7580 1.7580 1.8608 1.8608 2.6631 2.6631 3.7988 3.7988 4.0160 4.0160 5.5777 5.5777 6.1036 6.1036 6.3378 6.3378 6.7701 6.7701 k = 0.7232-0.6087 0.3070 ( 5664 PWs) bands (ev): -22.9610 -22.9610 -22.9603 -22.9603 -7.7560 -7.7560 -7.7510 -7.7510 -6.9604 -6.9604 -6.9479 -6.9479 -6.8041 -6.8041 -6.7964 -6.7964 -5.4787 -5.4787 -4.3115 -4.3115 -4.0010 -4.0010 -3.5106 -3.5106 1.0649 1.0649 1.1853 1.1853 1.7191 1.7191 1.8065 1.8065 2.6637 2.6637 3.7907 3.7907 4.0201 4.0201 5.5688 5.5688 6.1254 6.1254 6.2897 6.2897 6.7999 6.7999 k = 0.7297-0.6310 0.3070 ( 5660 PWs) bands (ev): -22.9608 -22.9608 -22.9601 -22.9601 -7.7569 -7.7569 -7.7522 -7.7522 -6.9611 -6.9611 -6.9493 -6.9493 -6.8017 -6.8017 -6.7952 -6.7952 -5.4481 -5.4481 -4.2372 -4.2372 -4.0411 -4.0411 -3.5946 -3.5946 1.1031 1.1031 1.2255 1.2255 1.6823 1.6823 1.7523 1.7523 2.6653 2.6653 3.7884 3.7884 4.0198 4.0198 5.5642 5.5642 6.1216 6.1216 6.2755 6.2755 6.8088 6.8088 k = 0.7363-0.6532 0.3070 ( 5652 PWs) bands (ev): -22.9606 -22.9606 -22.9599 -22.9599 -7.7575 -7.7575 -7.7530 -7.7530 -6.9616 -6.9616 -6.9503 -6.9503 -6.7997 -6.7997 -6.7942 -6.7942 -5.4255 -5.4255 -4.1670 -4.1670 -4.0712 -4.0712 -3.6733 -3.6733 1.1415 1.1415 1.2631 1.2631 1.6499 1.6499 1.7019 1.7019 2.6661 2.6661 3.7920 3.7920 4.0148 4.0148 5.5649 5.5649 6.0849 6.0849 6.3017 6.3017 6.7920 6.7920 k = 0.2637-0.8937 0.4413 ( 5652 PWs) bands (ev): -22.9606 -22.9606 -22.9599 -22.9599 -7.7575 -7.7575 -7.7530 -7.7530 -6.9616 -6.9616 -6.9503 -6.9503 -6.7997 -6.7997 -6.7942 -6.7942 -5.4255 -5.4255 -4.1670 -4.1670 -4.0712 -4.0712 -3.6733 -3.6733 1.1415 1.1415 1.2631 1.2631 1.6499 1.6499 1.7019 1.7019 2.6661 2.6661 3.7920 3.7920 4.0148 4.0148 5.5649 5.5649 6.0849 6.0849 6.3017 6.3017 6.7920 6.7920 k = 0.2573-0.8719 0.4413 ( 5654 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7578 -7.7578 -7.7536 -7.7536 -6.9617 -6.9617 -6.9508 -6.9508 -6.7982 -6.7982 -6.7934 -6.7934 -5.4121 -5.4121 -4.1098 -4.1098 -4.0888 -4.0888 -3.7385 -3.7385 1.1767 1.1767 1.2927 1.2927 1.6251 1.6251 1.6614 1.6614 2.6651 2.6651 3.8017 3.8017 4.0051 4.0051 5.5712 5.5712 6.0361 6.0361 6.3468 6.3468 6.7569 6.7569 k = 0.2509-0.8501 0.4413 ( 5656 PWs) bands (ev): -22.9606 -22.9606 -22.9597 -22.9597 -7.7577 -7.7577 -7.7538 -7.7538 -6.9615 -6.9615 -6.9510 -6.9510 -6.7971 -6.7971 -6.7927 -6.7927 -5.4084 -5.4084 -4.0985 -4.0985 -4.0749 -4.0749 -3.7761 -3.7761 1.2064 1.2064 1.3087 1.3087 1.6080 1.6080 1.6391 1.6391 2.6617 2.6617 3.8171 3.8171 3.9908 3.9908 5.5833 5.5833 5.9852 5.9852 6.4001 6.4001 6.7124 6.7124 k = 0.2444-0.8283 0.4413 ( 5654 PWs) bands (ev): -22.9606 -22.9606 -22.9597 -22.9597 -7.7573 -7.7573 -7.7537 -7.7537 -6.9610 -6.9610 -6.9507 -6.9507 -6.7965 -6.7965 -6.7921 -6.7921 -5.4148 -5.4148 -4.0946 -4.0946 -4.0871 -4.0871 -3.7666 -3.7666 1.2265 1.2265 1.3062 1.3062 1.5990 1.5990 1.6436 1.6436 2.6562 2.6562 3.8375 3.8375 3.9724 3.9724 5.6006 5.6006 5.9360 5.9360 6.4575 6.4575 6.6645 6.6645 k = 0.2380-0.8065 0.4413 ( 5650 PWs) bands (ev): -22.9607 -22.9607 -22.9598 -22.9598 -7.7566 -7.7566 -7.7532 -7.7532 -6.9601 -6.9601 -6.9499 -6.9499 -6.7963 -6.7963 -6.7917 -6.7917 -5.4309 -5.4309 -4.1406 -4.1406 -4.0759 -4.0759 -3.7175 -3.7175 1.2334 1.2334 1.2874 1.2874 1.6042 1.6042 1.6701 1.6701 2.6492 2.6492 3.8617 3.8617 3.9507 3.9507 5.6221 5.6221 5.8908 5.8908 6.5162 6.5162 6.6170 6.6170 k = 0.2316-0.7847 0.4413 ( 5652 PWs) bands (ev): -22.9609 -22.9609 -22.9599 -22.9599 -7.7555 -7.7555 -7.7524 -7.7524 -6.9589 -6.9589 -6.9488 -6.9488 -6.7965 -6.7965 -6.7915 -6.7915 -5.4560 -5.4560 -4.2098 -4.2098 -4.0483 -4.0483 -3.6490 -3.6490 1.2240 1.2240 1.2619 1.2619 1.6249 1.6249 1.7103 1.7103 2.6417 2.6417 3.8849 3.8849 3.9303 3.9303 5.6453 5.6453 5.8524 5.8524 6.5553 6.5553 6.5911 6.5911 k = 0.2251-0.7629 0.4413 ( 5662 PWs) bands (ev): -22.9611 -22.9611 -22.9601 -22.9601 -7.7541 -7.7541 -7.7513 -7.7513 -6.9574 -6.9574 -6.9472 -6.9472 -6.7970 -6.7970 -6.7915 -6.7915 -5.4887 -5.4887 -4.2860 -4.2860 -4.0112 -4.0112 -3.5722 -3.5722 1.1974 1.1974 1.2398 1.2398 1.6575 1.6575 1.7579 1.7579 2.6350 2.6350 3.8817 3.8817 3.9362 3.9362 5.6649 5.6649 5.8260 5.8260 6.5185 6.5185 6.6431 6.6431 k = 0.2187-0.7411 0.4413 ( 5660 PWs) bands (ev): -22.9614 -22.9614 -22.9603 -22.9603 -7.7524 -7.7524 -7.7499 -7.7499 -6.9555 -6.9555 -6.9451 -6.9451 -6.7977 -6.7977 -6.7918 -6.7918 -5.5278 -5.5278 -4.3646 -4.3646 -3.9659 -3.9659 -3.4916 -3.4916 1.1615 1.1615 1.2210 1.2210 1.6970 1.6970 1.8088 1.8088 2.6308 2.6308 3.8543 3.8543 3.9658 3.9658 5.6711 5.6711 5.8211 5.8211 6.4770 6.4770 6.7016 6.7016 k = 0.2123-0.7193 0.4413 ( 5658 PWs) bands (ev): -22.9617 -22.9617 -22.9606 -22.9606 -7.7504 -7.7504 -7.7482 -7.7482 -6.9533 -6.9533 -6.9427 -6.9427 -6.7987 -6.7987 -6.7924 -6.7924 -5.5719 -5.5719 -4.4439 -4.4439 -3.9140 -3.9140 -3.4092 -3.4092 1.1241 1.1241 1.2034 1.2034 1.7392 1.7392 1.8605 1.8605 2.6310 2.6310 3.8221 3.8221 3.9995 3.9995 5.6605 5.6605 5.8409 5.8409 6.4385 6.4385 6.7583 6.7583 k = 0.2058-0.6975 0.4413 ( 5656 PWs) bands (ev): -22.9621 -22.9621 -22.9610 -22.9610 -7.7482 -7.7482 -7.7462 -7.7462 -6.9507 -6.9507 -6.9398 -6.9398 -6.7999 -6.7999 -6.7932 -6.7932 -5.6197 -5.6197 -4.5227 -4.5227 -3.8569 -3.8569 -3.3262 -3.3262 1.0883 1.0883 1.1874 1.1874 1.7803 1.7803 1.9114 1.9114 2.6377 2.6377 3.7882 3.7882 4.0336 4.0336 5.6411 5.6411 5.8768 5.8768 6.4039 6.4039 6.8118 6.8118 k = 0.1994-0.6757 0.4413 ( 5666 PWs) bands (ev): -22.9625 -22.9625 -22.9614 -22.9614 -7.7457 -7.7457 -7.7440 -7.7440 -6.9479 -6.9479 -6.9365 -6.9365 -6.8014 -6.8014 -6.7944 -6.7944 -5.6700 -5.6700 -4.6006 -4.6006 -3.7959 -3.7959 -3.2433 -3.2433 1.0557 1.0557 1.1742 1.1742 1.8168 1.8168 1.9609 1.9609 2.6525 2.6525 3.7539 3.7539 4.0670 4.0670 5.6207 5.6207 5.9207 5.9207 6.3738 6.3738 6.8609 6.8609 k = 0.1930-0.6539 0.4413 ( 5666 PWs) bands (ev): -22.9630 -22.9630 -22.9618 -22.9618 -7.7430 -7.7430 -7.7414 -7.7414 -6.9447 -6.9447 -6.9328 -6.9328 -6.8031 -6.8031 -6.7957 -6.7957 -5.7221 -5.7221 -4.6772 -4.6772 -3.7321 -3.7321 -3.1611 -3.1611 1.0271 1.0271 1.1647 1.1647 1.8460 1.8460 2.0089 2.0089 2.6767 2.6767 3.7197 3.7197 4.0986 4.0986 5.6028 5.6028 5.9685 5.9685 6.3486 6.3486 6.9049 6.9049 k = 0.1865-0.6321 0.4413 ( 5672 PWs) bands (ev): -22.9635 -22.9635 -22.9623 -22.9623 -7.7402 -7.7402 -7.7387 -7.7387 -6.9412 -6.9412 -6.9286 -6.9286 -6.8049 -6.8049 -6.7973 -6.7973 -5.7751 -5.7751 -4.7523 -4.7523 -3.6665 -3.6665 -3.0802 -3.0802 1.0032 1.0032 1.1597 1.1597 1.8658 1.8658 2.0558 2.0558 2.7108 2.7108 3.6864 3.6864 4.1277 4.1277 5.5892 5.5892 6.0177 6.0177 6.3285 6.3285 6.9431 6.9431 k = 0.1801-0.6103 0.4413 ( 5664 PWs) bands (ev): -22.9641 -22.9641 -22.9628 -22.9628 -7.7372 -7.7372 -7.7357 -7.7357 -6.9375 -6.9375 -6.9241 -6.9241 -6.8069 -6.8069 -6.7990 -6.7990 -5.8284 -5.8284 -4.8256 -4.8256 -3.5999 -3.5999 -3.0010 -3.0010 0.9846 0.9846 1.1597 1.1597 1.8760 1.8760 2.1012 2.1012 2.7540 2.7540 3.6545 3.6545 4.1538 4.1538 5.5808 5.5808 6.0667 6.0667 6.3138 6.3138 6.9752 6.9752 k = 0.1737-0.5885 0.4413 ( 5666 PWs) bands (ev): -22.9647 -22.9647 -22.9634 -22.9634 -7.7342 -7.7342 -7.7326 -7.7326 -6.9337 -6.9337 -6.9192 -6.9192 -6.8091 -6.8091 -6.8009 -6.8009 -5.8815 -5.8815 -4.8970 -4.8970 -3.5331 -3.5331 -2.9239 -2.9239 0.9716 0.9716 1.1654 1.1654 1.8773 1.8773 2.1446 2.1446 2.8052 2.8052 3.6245 3.6245 4.1765 4.1765 5.5786 5.5786 6.1137 6.1137 6.3048 6.3048 7.0015 7.0015 k = 0.1672-0.5667 0.4413 ( 5668 PWs) bands (ev): -22.9653 -22.9653 -22.9640 -22.9640 -7.7312 -7.7312 -7.7294 -7.7294 -6.9297 -6.9297 -6.9139 -6.9139 -6.8114 -6.8114 -6.8029 -6.8029 -5.9338 -5.9338 -4.9664 -4.9664 -3.4668 -3.4668 -2.8493 -2.8493 0.9646 0.9646 1.1773 1.1773 1.8713 1.8713 2.1853 2.1853 2.8625 2.8625 3.5967 3.5967 4.1954 4.1954 5.5829 5.5829 6.1572 6.1572 6.3016 6.3016 7.0222 7.0222 k = 0.1608-0.5449 0.4413 ( 5672 PWs) bands (ev): -22.9660 -22.9660 -22.9646 -22.9646 -7.7281 -7.7281 -7.7261 -7.7261 -6.9257 -6.9257 -6.9082 -6.9082 -6.8138 -6.8138 -6.8049 -6.8049 -5.9852 -5.9852 -5.0337 -5.0337 -3.4016 -3.4016 -2.7776 -2.7776 0.9639 0.9639 1.1956 1.1956 1.8599 1.8599 2.2225 2.2225 2.9242 2.9242 3.5715 3.5715 4.2107 4.2107 5.5942 5.5942 6.1955 6.1955 6.3046 6.3046 7.0383 7.0383 k = 0.1544-0.5231 0.4413 ( 5680 PWs) bands (ev): -22.9667 -22.9667 -22.9653 -22.9653 -7.7250 -7.7250 -7.7227 -7.7227 -6.9217 -6.9217 -6.9023 -6.9023 -6.8163 -6.8163 -6.8068 -6.8068 -6.0352 -6.0352 -5.0989 -5.0989 -3.3380 -3.3380 -2.7092 -2.7092 0.9696 0.9696 1.2209 1.2209 1.8444 1.8444 2.2555 2.2555 2.9884 2.9884 3.5491 3.5491 4.2222 4.2222 5.6129 5.6129 6.2271 6.2271 6.3135 6.3135 7.0508 7.0508 k = 0.1479-0.5013 0.4413 ( 5676 PWs) bands (ev): -22.9674 -22.9674 -22.9659 -22.9659 -7.7218 -7.7218 -7.7193 -7.7193 -6.9180 -6.9180 -6.8961 -6.8961 -6.8189 -6.8189 -6.8085 -6.8085 -6.0835 -6.0835 -5.1618 -5.1618 -3.2766 -3.2766 -2.6442 -2.6442 0.9819 0.9819 1.2532 1.2532 1.8264 1.8264 2.2840 2.2840 3.0535 3.0535 3.5297 3.5297 4.2302 4.2302 5.6392 5.6392 6.2522 6.2522 6.3271 6.3271 7.0605 7.0605 k = 0.1415-0.4795 0.4413 ( 5680 PWs) bands (ev): -22.9681 -22.9681 -22.9666 -22.9666 -7.7188 -7.7188 -7.7160 -7.7160 -6.9147 -6.9147 -6.8897 -6.8897 -6.8215 -6.8215 -6.8099 -6.8099 -6.1301 -6.1301 -5.2225 -5.2225 -3.2176 -3.2176 -2.5831 -2.5831 1.0007 1.0007 1.2929 1.2929 1.8071 1.8071 2.3076 2.3076 3.1180 3.1180 3.5135 3.5135 4.2351 4.2351 5.6732 5.6732 6.2719 6.2719 6.3429 6.3429 7.0684 7.0684 k = 0.1351-0.4578 0.4413 ( 5674 PWs) bands (ev): -22.9689 -22.9689 -22.9673 -22.9673 -7.7157 -7.7157 -7.7128 -7.7128 -6.9121 -6.9121 -6.8832 -6.8832 -6.8239 -6.8239 -6.8109 -6.8109 -6.1746 -6.1746 -5.2807 -5.2807 -3.1616 -3.1616 -2.5259 -2.5259 1.0260 1.0260 1.3398 1.3398 1.7874 1.7874 2.3265 2.3265 3.1804 3.1804 3.5007 3.5007 4.2372 4.2372 5.7147 5.7147 6.2871 6.2871 6.3596 6.3596 7.0749 7.0749 k = 0.1286-0.4360 0.4413 ( 5678 PWs) bands (ev): -22.9696 -22.9696 -22.9680 -22.9680 -7.7128 -7.7128 -7.7096 -7.7096 -6.9103 -6.9103 -6.8767 -6.8767 -6.8260 -6.8260 -6.8112 -6.8112 -6.2169 -6.2169 -5.3366 -5.3366 -3.1086 -3.1086 -2.4728 -2.4728 1.0573 1.0573 1.3940 1.3940 1.7685 1.7685 2.3409 2.3409 3.2389 3.2389 3.4916 3.4916 4.2370 4.2370 5.7634 5.7634 6.2961 6.2961 6.3784 6.3784 7.0799 7.0799 k = 0.1222-0.4142 0.4413 ( 5684 PWs) bands (ev): -22.9704 -22.9704 -22.9688 -22.9688 -7.7099 -7.7099 -7.7066 -7.7066 -6.9096 -6.9096 -6.8706 -6.8706 -6.8277 -6.8277 -6.8107 -6.8107 -6.2569 -6.2569 -5.3900 -5.3900 -3.0590 -3.0590 -2.4240 -2.4240 1.0942 1.0942 1.4552 1.4552 1.7514 1.7514 2.3513 2.3513 3.2915 3.2915 3.4874 3.4874 4.2351 4.2351 5.8187 5.8187 6.2970 6.2970 6.4022 6.4022 7.0829 7.0829 k = 0.1158-0.3924 0.4413 ( 5684 PWs) bands (ev): -22.9711 -22.9711 -22.9695 -22.9695 -7.7072 -7.7072 -7.7038 -7.7038 -6.9101 -6.9101 -6.8650 -6.8650 -6.8284 -6.8284 -6.8094 -6.8094 -6.2944 -6.2944 -5.4410 -5.4410 -3.0129 -3.0129 -2.3793 -2.3793 1.1356 1.1356 1.5226 1.5226 1.7379 1.7379 2.3582 2.3582 3.3348 3.3348 3.4899 3.4899 4.2317 4.2317 5.8790 5.8790 6.2898 6.2898 6.4320 6.4320 7.0827 7.0827 k = 0.1093-0.3706 0.4413 ( 5682 PWs) bands (ev): -22.9719 -22.9719 -22.9702 -22.9702 -7.7046 -7.7046 -7.7011 -7.7011 -6.9119 -6.9119 -6.8607 -6.8607 -6.8277 -6.8277 -6.8072 -6.8072 -6.3295 -6.3295 -5.4895 -5.4895 -2.9704 -2.9704 -2.3387 -2.3387 1.1802 1.1802 1.5943 1.5943 1.7307 1.7307 2.3624 2.3624 3.3653 3.3653 3.5020 3.5020 4.2276 4.2276 5.9417 5.9417 6.2778 6.2778 6.4678 6.4678 7.0783 7.0783 k = 0.1029-0.3488 0.4413 ( 5682 PWs) bands (ev): -22.9726 -22.9726 -22.9709 -22.9709 -7.7021 -7.7021 -7.6986 -7.6986 -6.9151 -6.9151 -6.8581 -6.8581 -6.8252 -6.8252 -6.8042 -6.8042 -6.3619 -6.3619 -5.5354 -5.5354 -2.9315 -2.9315 -2.3022 -2.3022 1.2258 1.2258 1.6618 1.6618 1.7399 1.7399 2.3649 2.3649 3.3820 3.3820 3.5238 3.5238 4.2230 4.2230 6.0001 6.0001 6.2679 6.2679 6.5086 6.5086 7.0687 7.0687 k = 0.0965-0.3270 0.4413 ( 5674 PWs) bands (ev): -22.9733 -22.9733 -22.9716 -22.9716 -7.6998 -7.6998 -7.6963 -7.6963 -6.9194 -6.9194 -6.8572 -6.8572 -6.8208 -6.8208 -6.8005 -6.8005 -6.3918 -6.3918 -5.5787 -5.5787 -2.8961 -2.8961 -2.2695 -2.2695 1.2694 1.2694 1.7001 1.7001 1.7920 1.7920 2.3668 2.3668 3.3887 3.3887 3.5509 3.5509 4.2184 4.2184 6.0404 6.0404 6.2741 6.2741 6.5539 6.5539 7.0533 7.0533 k = 0.0900-0.3052 0.4413 ( 5668 PWs) bands (ev): -22.9740 -22.9740 -22.9722 -22.9722 -7.6976 -7.6976 -7.6942 -7.6942 -6.9247 -6.9247 -6.8574 -6.8574 -6.8152 -6.8152 -6.7961 -6.7961 -6.4190 -6.4190 -5.6195 -5.6195 -2.8643 -2.8643 -2.2405 -2.2405 1.3076 1.3076 1.7234 1.7234 1.8747 1.8747 2.3696 2.3696 3.3900 3.3900 3.5783 3.5783 4.2138 4.2138 6.0460 6.0460 6.3121 6.3121 6.6028 6.6028 7.0323 7.0323 k = 0.0836-0.2834 0.4413 ( 5666 PWs) bands (ev): -22.9746 -22.9746 -22.9728 -22.9728 -7.6956 -7.6956 -7.6923 -7.6923 -6.9309 -6.9309 -6.8585 -6.8585 -6.8088 -6.8088 -6.7914 -6.7914 -6.4436 -6.4436 -5.6576 -5.6576 -2.8357 -2.8357 -2.2149 -2.2149 1.3370 1.3370 1.7545 1.7545 1.9655 1.9655 2.3754 2.3754 3.3886 3.3886 3.6033 3.6033 4.2096 4.2096 6.0199 6.0199 6.3772 6.3772 6.6537 6.6537 7.0072 7.0072 k = 0.0772-0.2616 0.4413 ( 5670 PWs) bands (ev): -22.9753 -22.9753 -22.9735 -22.9735 -7.6937 -7.6937 -7.6906 -7.6906 -6.9376 -6.9376 -6.8599 -6.8599 -6.8021 -6.8021 -6.7865 -6.7865 -6.4657 -6.4657 -5.6931 -5.6931 -2.8103 -2.8103 -2.1925 -2.1925 1.3565 1.3565 1.7975 1.7975 2.0569 2.0569 2.3879 2.3879 3.3858 3.3858 3.6247 3.6247 4.2056 4.2056 5.9748 5.9748 6.4535 6.4535 6.7040 6.7040 6.9810 6.9810 k = 0.0708-0.2398 0.4413 ( 5664 PWs) bands (ev): -22.9758 -22.9758 -22.9740 -22.9740 -7.6920 -7.6920 -7.6891 -7.6891 -6.9448 -6.9448 -6.8615 -6.8615 -6.7953 -6.7953 -6.7815 -6.7815 -6.4853 -6.4853 -5.7259 -5.7259 -2.7880 -2.7880 -2.1731 -2.1731 1.3669 1.3669 1.8505 1.8505 2.1430 2.1430 2.4129 2.4129 3.3824 3.3824 3.6422 3.6422 4.2019 4.2019 5.9175 5.9175 6.5265 6.5265 6.7490 6.7490 6.9555 6.9555 k = 0.0643-0.2180 0.4413 ( 5658 PWs) bands (ev): -22.9764 -22.9764 -22.9746 -22.9746 -7.6905 -7.6905 -7.6878 -7.6878 -6.9521 -6.9521 -6.8632 -6.8632 -6.7887 -6.7887 -6.7766 -6.7766 -6.5026 -6.5026 -5.7560 -5.7560 -2.7684 -2.7684 -2.1563 -2.1563 1.3705 1.3705 1.9084 1.9084 2.2165 2.2165 2.4584 2.4584 3.3787 3.3787 3.6560 3.6560 4.1982 4.1982 5.8511 5.8511 6.5784 6.5784 6.7714 6.7714 6.9149 6.9149 k = 0.0579-0.1962 0.4413 ( 5658 PWs) bands (ev): -22.9769 -22.9769 -22.9751 -22.9751 -7.6891 -7.6891 -7.6867 -7.6867 -6.9594 -6.9594 -6.8648 -6.8648 -6.7824 -6.7824 -6.7718 -6.7718 -6.5176 -6.5176 -5.7833 -5.7833 -2.7515 -2.7515 -2.1420 -2.1420 1.3696 1.3696 1.9651 1.9651 2.2758 2.2758 2.5278 2.5278 3.3750 3.3750 3.6666 3.6666 4.1945 4.1945 5.7769 5.7769 6.5875 6.5875 6.7178 6.7178 6.9217 6.9217 k = 0.0515-0.1744 0.4413 ( 5654 PWs) bands (ev): -22.9774 -22.9774 -22.9755 -22.9755 -7.6879 -7.6879 -7.6857 -7.6857 -6.9664 -6.9664 -6.8663 -6.8663 -6.7765 -6.7765 -6.7674 -6.7674 -6.5305 -6.5305 -5.8079 -5.8079 -2.7369 -2.7369 -2.1298 -2.1298 1.3661 1.3661 2.0143 2.0143 2.3290 2.3290 2.6147 2.6147 3.3713 3.3713 3.6746 3.6746 4.1906 4.1906 5.6961 5.6961 6.5343 6.5343 6.6429 6.6429 6.9891 6.9891 k = 0.0450-0.1526 0.4413 ( 5652 PWs) bands (ev): -22.9778 -22.9778 -22.9759 -22.9759 -7.6869 -7.6869 -7.6849 -7.6849 -6.9731 -6.9731 -6.8678 -6.8678 -6.7711 -6.7711 -6.7633 -6.7633 -6.5414 -6.5414 -5.8297 -5.8297 -2.7246 -2.7246 -2.1196 -2.1196 1.3613 1.3613 2.0517 2.0517 2.3852 2.3852 2.7092 2.7092 3.3679 3.3679 3.6808 3.6808 4.1865 4.1865 5.6103 5.6103 6.4315 6.4315 6.5964 6.5964 7.0720 7.0720 k = 0.0386-0.1308 0.4413 ( 5658 PWs) bands (ev): -22.9782 -22.9782 -22.9763 -22.9763 -7.6860 -7.6860 -7.6842 -7.6842 -6.9792 -6.9792 -6.8691 -6.8691 -6.7662 -6.7662 -6.7598 -6.7598 -6.5506 -6.5506 -5.8486 -5.8486 -2.7143 -2.7143 -2.1112 -2.1112 1.3561 1.3561 2.0771 2.0771 2.4472 2.4472 2.8038 2.8038 3.3647 3.3647 3.6859 3.6859 4.1825 4.1825 5.5219 5.5219 6.3212 6.3212 6.5590 6.5590 7.1496 7.1496 k = 0.0322-0.1090 0.4413 ( 5656 PWs) bands (ev): -22.9785 -22.9785 -22.9766 -22.9766 -7.6852 -7.6852 -7.6837 -7.6837 -6.9846 -6.9846 -6.8702 -6.8702 -6.7619 -6.7619 -6.7567 -6.7567 -6.5580 -6.5580 -5.8648 -5.8648 -2.7059 -2.7059 -2.1044 -2.1044 1.3510 1.3510 2.0929 2.0929 2.5121 2.5121 2.8931 2.8931 3.3619 3.3619 3.6907 3.6907 4.1788 4.1788 5.4338 5.4338 6.2186 6.2186 6.5257 6.5257 7.2109 7.2109 k = 0.0257-0.0872 0.4413 ( 5664 PWs) bands (ev): -22.9788 -22.9788 -22.9769 -22.9769 -7.6846 -7.6846 -7.6833 -7.6833 -6.9892 -6.9892 -6.8712 -6.8712 -6.7584 -6.7584 -6.7542 -6.7542 -6.5639 -6.5639 -5.8780 -5.8780 -2.6992 -2.6992 -2.0991 -2.0991 1.3464 1.3464 2.1022 2.1022 2.5751 2.5751 2.9726 2.9726 3.3593 3.3593 3.6956 3.6956 4.1759 4.1759 5.3501 5.3501 6.1291 6.1291 6.4974 6.4974 7.2601 7.2601 k = 0.0193-0.0654 0.4413 ( 5670 PWs) bands (ev): -22.9790 -22.9790 -22.9771 -22.9771 -7.6841 -7.6841 -7.6830 -7.6830 -6.9929 -6.9929 -6.8719 -6.8719 -6.7555 -6.7555 -6.7522 -6.7522 -6.5683 -6.5683 -5.8883 -5.8883 -2.6941 -2.6941 -2.0950 -2.0950 1.3426 1.3426 2.1076 2.1076 2.6310 2.6310 3.0383 3.0383 3.3569 3.3569 3.7010 3.7010 4.1741 4.1741 5.2758 5.2758 6.0563 6.0563 6.4749 6.4749 7.2995 7.2995 k = 0.0129-0.0436 0.4413 ( 5682 PWs) bands (ev): -22.9791 -22.9791 -22.9772 -22.9772 -7.6838 -7.6838 -7.6828 -7.6828 -6.9956 -6.9956 -6.8725 -6.8725 -6.7534 -6.7534 -6.7509 -6.7509 -6.5714 -6.5714 -5.8957 -5.8957 -2.6905 -2.6905 -2.0922 -2.0922 1.3398 1.3398 2.1105 2.1105 2.6751 2.6751 3.0872 3.0872 3.3548 3.3548 3.7063 3.7063 4.1735 4.1735 5.2165 5.2165 6.0025 6.0025 6.4585 6.4585 7.3286 7.3286 k = 0.0064-0.0218 0.4413 ( 5682 PWs) bands (ev): -22.9792 -22.9792 -22.9773 -22.9773 -7.6836 -7.6836 -7.6827 -7.6827 -6.9972 -6.9972 -6.8728 -6.8728 -6.7520 -6.7520 -6.7501 -6.7501 -6.5732 -6.5732 -5.9001 -5.9001 -2.6884 -2.6884 -2.0905 -2.0905 1.3380 1.3380 2.1119 2.1119 2.7034 2.7034 3.1173 3.1173 3.3532 3.3532 3.7103 3.7103 4.1737 4.1737 5.1779 5.1779 5.9694 5.9694 6.4487 6.4487 7.3465 7.3465 k = 0.0000 0.0000 0.4413 ( 5682 PWs) bands (ev): -22.9792 -22.9792 -22.9773 -22.9773 -7.6835 -7.6835 -7.6827 -7.6827 -6.9978 -6.9978 -6.8729 -6.8729 -6.7516 -6.7516 -6.7499 -6.7499 -6.5738 -6.5738 -5.9016 -5.9016 -2.6877 -2.6877 -2.0900 -2.0900 1.3374 1.3374 2.1123 2.1123 2.7132 2.7132 3.1274 3.1274 3.3526 3.3526 3.7119 3.7119 4.1739 4.1739 5.1645 5.1645 5.9583 5.9583 6.4454 6.4454 7.3525 7.3525 k = 0.0000 0.0000 0.4413 ( 5682 PWs) bands (ev): -22.9792 -22.9792 -22.9773 -22.9773 -7.6835 -7.6835 -7.6827 -7.6827 -6.9978 -6.9978 -6.8729 -6.8729 -6.7516 -6.7516 -6.7499 -6.7499 -6.5738 -6.5738 -5.9016 -5.9016 -2.6877 -2.6877 -2.0900 -2.0900 1.3374 1.3374 2.1123 2.1123 2.7132 2.7132 3.1274 3.1274 3.3526 3.3526 3.7119 3.7119 4.1739 4.1739 5.1645 5.1645 5.9583 5.9583 6.4454 6.4454 7.3525 7.3525 k = 0.0223 0.0066 0.4413 ( 5683 PWs) bands (ev): -22.9792 -22.9792 -22.9773 -22.9773 -7.6849 -7.6849 -7.6815 -7.6815 -6.9986 -6.9986 -6.8728 -6.8728 -6.7528 -6.7528 -6.7488 -6.7488 -6.5730 -6.5730 -5.9006 -5.9006 -2.6878 -2.6878 -2.0905 -2.0905 1.3368 1.3368 2.1114 2.1114 2.7129 2.7129 3.1278 3.1278 3.3506 3.3506 3.7147 3.7147 4.1748 4.1748 5.1666 5.1666 5.9578 5.9578 6.4463 6.4463 7.3518 7.3518 k = 0.0446 0.0132 0.4413 ( 5686 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.6870 -7.6870 -7.6804 -7.6804 -7.0011 -7.0011 -6.8726 -6.8726 -6.7547 -6.7547 -6.7473 -6.7473 -6.5707 -6.5707 -5.8976 -5.8976 -2.6879 -2.6879 -2.0920 -2.0920 1.3347 1.3347 2.1086 2.1086 2.7119 2.7119 3.1288 3.1288 3.3448 3.3448 3.7229 3.7229 4.1775 4.1775 5.1728 5.1728 5.9564 5.9564 6.4491 6.4491 7.3496 7.3496 k = 0.0670 0.0198 0.4413 ( 5680 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.6892 -7.6892 -7.6795 -7.6795 -7.0051 -7.0051 -6.8725 -6.8725 -6.7567 -6.7567 -6.7458 -6.7458 -6.5670 -6.5670 -5.8928 -5.8928 -2.6882 -2.6882 -2.0944 -2.0944 1.3312 1.3312 2.1042 2.1042 2.7104 2.7104 3.1302 3.1302 3.3358 3.3358 3.7364 3.7364 4.1817 4.1817 5.1827 5.1827 5.9541 5.9541 6.4537 6.4537 7.3459 7.3459 k = 0.0893 0.0263 0.4413 ( 5689 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.6917 -7.6917 -7.6790 -7.6790 -7.0102 -7.0102 -6.8727 -6.8727 -6.7586 -6.7586 -6.7445 -6.7445 -6.5618 -6.5618 -5.8861 -5.8861 -2.6885 -2.6885 -2.0976 -2.0976 1.3262 1.3262 2.0985 2.0985 2.7084 2.7084 3.1318 3.1318 3.3243 3.3243 3.7546 3.7546 4.1872 4.1872 5.1959 5.1959 5.9511 5.9511 6.4600 6.4600 7.3404 7.3404 k = 0.1116 0.0329 0.4413 ( 5691 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.6944 -7.6944 -7.6788 -7.6788 -7.0162 -7.0162 -6.8734 -6.8734 -6.7603 -6.7603 -6.7434 -6.7434 -6.5553 -6.5553 -5.8779 -5.8779 -2.6891 -2.6891 -2.1016 -2.1016 1.3197 1.3197 2.0918 2.0918 2.7063 2.7063 3.1329 3.1329 3.3115 3.3115 3.7772 3.7772 4.1936 4.1936 5.2118 5.2118 5.9477 5.9477 6.4680 6.4680 7.3330 7.3330 k = 0.1339 0.0395 0.4413 ( 5693 PWs) bands (ev): -22.9792 -22.9792 -22.9774 -22.9774 -7.6972 -7.6972 -7.6789 -7.6789 -7.0227 -7.0227 -6.8749 -6.8749 -6.7619 -6.7619 -6.7425 -6.7425 -6.5477 -6.5477 -5.8683 -5.8683 -2.6898 -2.6898 -2.1063 -2.1063 1.3115 1.3115 2.0846 2.0846 2.7039 2.7039 3.1333 3.1333 3.2982 3.2982 3.8037 3.8037 4.2005 4.2005 5.2297 5.2297 5.9441 5.9441 6.4774 6.4774 7.3231 7.3231 k = 0.1563 0.0461 0.4413 ( 5697 PWs) bands (ev): -22.9791 -22.9791 -22.9775 -22.9775 -7.7001 -7.7001 -7.6793 -7.6793 -7.0295 -7.0295 -6.8772 -6.8772 -6.7631 -6.7631 -6.7416 -6.7416 -6.5391 -6.5391 -5.8574 -5.8574 -2.6906 -2.6906 -2.1115 -2.1115 1.3015 1.3015 2.0773 2.0773 2.7017 2.7017 3.1321 3.1321 3.2857 3.2857 3.8334 3.8334 4.2079 4.2079 5.2486 5.2486 5.9406 5.9406 6.4878 6.4878 7.3102 7.3102 k = 0.1786 0.0527 0.4413 ( 5698 PWs) bands (ev): -22.9791 -22.9791 -22.9775 -22.9775 -7.7030 -7.7030 -7.6801 -7.6801 -7.0364 -7.0364 -6.8803 -6.8803 -6.7641 -6.7641 -6.7410 -6.7410 -6.5296 -6.5296 -5.8456 -5.8456 -2.6917 -2.6917 -2.1171 -2.1171 1.2899 1.2899 2.0704 2.0704 2.6995 2.6995 3.1289 3.1289 3.2748 3.2748 3.8659 3.8659 4.2154 4.2154 5.2678 5.2678 5.9372 5.9372 6.4985 6.4985 7.2942 7.2942 k = 0.2009 0.0593 0.4413 ( 5693 PWs) bands (ev): -22.9790 -22.9790 -22.9776 -22.9776 -7.7059 -7.7059 -7.6810 -7.6810 -7.0432 -7.0432 -6.8841 -6.8841 -6.7648 -6.7648 -6.7405 -6.7405 -6.5196 -6.5196 -5.8330 -5.8330 -2.6931 -2.6931 -2.1229 -2.1229 1.2766 1.2766 2.0644 2.0644 2.6975 2.6975 3.1234 3.1234 3.2664 3.2664 3.9002 3.9002 4.2233 4.2233 5.2864 5.2864 5.9343 5.9343 6.5083 6.5083 7.2754 7.2754 k = 0.2232 0.0659 0.4413 ( 5701 PWs) bands (ev): -22.9790 -22.9790 -22.9776 -22.9776 -7.7088 -7.7088 -7.6822 -7.6822 -7.0498 -7.0498 -6.8886 -6.8886 -6.7653 -6.7653 -6.7401 -6.7401 -6.5092 -6.5092 -5.8200 -5.8200 -2.6947 -2.6947 -2.1287 -2.1287 1.2618 1.2618 2.0595 2.0595 2.6959 2.6959 3.1155 3.1155 3.2606 3.2606 3.9355 3.9355 4.2317 4.2317 5.3038 5.3038 5.9318 5.9318 6.5158 6.5158 7.2556 7.2556 k = 0.2455 0.0725 0.4413 ( 5710 PWs) bands (ev): -22.9789 -22.9789 -22.9777 -22.9777 -7.7115 -7.7115 -7.6837 -7.6837 -7.0560 -7.0560 -6.8936 -6.8936 -6.7655 -6.7655 -6.7398 -6.7398 -6.4987 -6.4987 -5.8067 -5.8067 -2.6967 -2.6967 -2.1343 -2.1343 1.2457 1.2457 2.0561 2.0561 2.6944 2.6944 3.1059 3.1059 3.2575 3.2575 3.9703 3.9703 4.2411 4.2411 5.3196 5.3196 5.9299 5.9299 6.5189 6.5189 7.2381 7.2381 k = 0.2679 0.0790 0.4413 ( 5704 PWs) bands (ev): -22.9789 -22.9789 -22.9777 -22.9777 -7.7140 -7.7140 -7.6852 -7.6852 -7.0617 -7.0617 -6.8988 -6.8988 -6.7657 -6.7657 -6.7397 -6.7397 -6.4883 -6.4883 -5.7934 -5.7934 -2.6989 -2.6989 -2.1397 -2.1397 1.2286 1.2286 2.0543 2.0543 2.6933 2.6933 3.0950 3.0950 3.2564 3.2564 4.0032 4.0032 4.2523 4.2523 5.3335 5.3335 5.9285 5.9285 6.5154 6.5154 7.2264 7.2264 k = 0.2902 0.0856 0.4413 ( 5706 PWs) bands (ev): -22.9788 -22.9788 -22.9778 -22.9778 -7.7164 -7.7164 -7.6869 -7.6869 -7.0670 -7.0670 -6.9042 -6.9042 -6.7657 -6.7657 -6.7396 -6.7396 -6.4782 -6.4782 -5.7803 -5.7803 -2.7016 -2.7016 -2.1446 -2.1446 1.2107 1.2107 2.0542 2.0542 2.6926 2.6926 3.0837 3.0837 3.2570 3.2570 4.0323 4.0323 4.2663 4.2663 5.3456 5.3456 5.9275 5.9275 6.5037 6.5037 7.2228 7.2228 k = 0.3125 0.0922 0.4413 ( 5703 PWs) bands (ev): -22.9788 -22.9788 -22.9778 -22.9778 -7.7185 -7.7185 -7.6887 -7.6887 -7.0716 -7.0716 -6.9096 -6.9096 -6.7656 -6.7656 -6.7396 -6.7396 -6.4686 -6.4686 -5.7676 -5.7676 -2.7046 -2.7046 -2.1489 -2.1489 1.1926 1.1926 2.0558 2.0558 2.6921 2.6921 3.0726 3.0726 3.2587 3.2587 4.0556 4.0556 4.2839 4.2839 5.3561 5.3561 5.9268 5.9268 6.4832 6.4832 7.2267 7.2267 k = 0.3348 0.0988 0.4413 ( 5703 PWs) bands (ev): -22.9787 -22.9787 -22.9779 -22.9779 -7.7203 -7.7203 -7.6906 -7.6906 -7.0757 -7.0757 -6.9148 -6.9148 -6.7655 -6.7655 -6.7398 -6.7398 -6.4597 -6.4597 -5.7556 -5.7556 -2.7079 -2.7079 -2.1524 -2.1524 1.1746 1.1746 2.0592 2.0592 2.6919 2.6919 3.0621 3.0621 3.2611 3.2611 4.0723 4.0723 4.3050 4.3050 5.3657 5.3657 5.9261 5.9261 6.4549 6.4549 7.2343 7.2343 k = 0.3572 0.1054 0.4413 ( 5710 PWs) bands (ev): -22.9786 -22.9786 -22.9780 -22.9780 -7.7217 -7.7217 -7.6924 -7.6924 -7.0792 -7.0792 -6.9198 -6.9198 -6.7654 -6.7654 -6.7399 -6.7399 -6.4518 -6.4518 -5.7443 -5.7443 -2.7116 -2.7116 -2.1551 -2.1551 1.1572 1.1572 2.0643 2.0643 2.6920 2.6920 3.0525 3.0525 3.2642 3.2642 4.0822 4.0822 4.3283 4.3283 5.3750 5.3750 5.9255 5.9255 6.4208 6.4208 7.2396 7.2396 k = 0.3795 0.1120 0.4413 ( 5705 PWs) bands (ev): -22.9786 -22.9786 -22.9780 -22.9780 -7.7228 -7.7228 -7.6942 -7.6942 -7.0820 -7.0820 -6.9244 -6.9244 -6.7653 -6.7653 -6.7401 -6.7401 -6.4449 -6.4449 -5.7340 -5.7340 -2.7157 -2.7157 -2.1568 -2.1568 1.1406 1.1406 2.0710 2.0710 2.6925 2.6925 3.0442 3.0442 3.2676 3.2676 4.0860 4.0860 4.3518 4.3518 5.3851 5.3851 5.9247 5.9247 6.3838 6.3838 7.2400 7.2400 k = 0.4018 0.1186 0.4413 ( 5702 PWs) bands (ev): -22.9785 -22.9785 -22.9781 -22.9781 -7.7235 -7.7235 -7.6960 -7.6960 -7.0842 -7.0842 -6.9286 -6.9286 -6.7652 -6.7652 -6.7404 -6.7404 -6.4392 -6.4392 -5.7248 -5.7248 -2.7200 -2.7200 -2.1575 -2.1575 1.1254 1.1254 2.0791 2.0791 2.6932 2.6932 3.0371 3.0371 3.2714 3.2714 4.0849 4.0849 4.3730 4.3730 5.3968 5.3968 5.9237 5.9237 6.3462 6.3462 7.2360 7.2360 k = 0.4241 0.1252 0.4413 ( 5705 PWs) bands (ev): -22.9784 -22.9784 -22.9782 -22.9782 -7.7238 -7.7238 -7.6976 -7.6976 -7.0857 -7.0857 -6.9323 -6.9323 -6.7652 -6.7652 -6.7407 -6.7407 -6.4348 -6.4348 -5.7167 -5.7167 -2.7247 -2.7247 -2.1571 -2.1571 1.1118 1.1118 2.0886 2.0886 2.6942 2.6942 3.0312 3.0312 3.2754 3.2754 4.0798 4.0798 4.3896 4.3896 5.4109 5.4109 5.9223 5.9223 6.3106 6.3106 7.2296 7.2296 k = 0.5000 0.1475-0.1343 ( 5674 PWs) bands (ev): -22.9787 -22.9787 -22.9779 -22.9779 -7.7263 -7.7263 -7.6921 -7.6921 -7.0957 -7.0957 -6.9084 -6.9084 -6.7647 -6.7647 -6.7546 -6.7546 -6.4362 -6.4362 -5.7237 -5.7237 -2.8983 -2.8983 -1.8696 -1.8696 1.0208 1.0208 1.9474 1.9474 2.6364 2.6364 2.9957 2.9957 3.5013 3.5013 3.6617 3.6617 4.8583 4.8583 5.5714 5.5714 5.9842 5.9842 6.4542 6.4542 6.9269 6.9269 k = 0.5065 0.1256-0.1343 ( 5668 PWs) bands (ev): -22.9786 -22.9786 -22.9778 -22.9778 -7.7262 -7.7262 -7.6921 -7.6921 -7.0952 -7.0952 -6.9082 -6.9082 -6.7651 -6.7651 -6.7549 -6.7549 -6.4357 -6.4357 -5.7224 -5.7224 -2.8989 -2.8989 -1.8702 -1.8702 1.0220 1.0220 1.9471 1.9471 2.6217 2.6217 2.9973 2.9973 3.4922 3.4922 3.6637 3.6637 4.8579 4.8579 5.5820 5.5820 5.9983 5.9983 6.4543 6.4543 6.9192 6.9192 k = 0.5130 0.1036-0.1343 ( 5676 PWs) bands (ev): -22.9785 -22.9785 -22.9777 -22.9777 -7.7260 -7.7260 -7.6923 -7.6923 -7.0936 -7.0936 -6.9076 -6.9076 -6.7663 -6.7663 -6.7557 -6.7557 -6.4341 -6.4341 -5.7188 -5.7188 -2.9005 -2.9005 -1.8718 -1.8718 1.0256 1.0256 1.9460 1.9460 2.5801 2.5801 2.9996 2.9996 3.4675 3.4675 3.6682 3.6682 4.8566 4.8566 5.6135 5.6135 6.0392 6.0392 6.4547 6.4547 6.8968 6.8968 k = 0.5194 0.0817-0.1343 ( 5682 PWs) bands (ev): -22.9784 -22.9784 -22.9776 -22.9776 -7.7256 -7.7256 -7.6925 -7.6925 -7.0910 -7.0910 -6.9065 -6.9065 -6.7683 -6.7683 -6.7572 -6.7572 -6.4314 -6.4314 -5.7126 -5.7126 -2.9032 -2.9032 -1.8745 -1.8745 1.0316 1.0316 1.9437 1.9437 2.5175 2.5175 2.9970 2.9970 3.4331 3.4331 3.6732 3.6732 4.8535 4.8535 5.6651 5.6651 6.1036 6.1036 6.4555 6.4555 6.8622 6.8622 k = 0.5259 0.0597-0.1343 ( 5684 PWs) bands (ev): -22.9782 -22.9782 -22.9774 -22.9774 -7.7251 -7.7251 -7.6928 -7.6928 -7.0873 -7.0873 -6.9051 -6.9051 -6.7710 -6.7710 -6.7592 -6.7592 -6.4275 -6.4275 -5.7040 -5.7040 -2.9071 -2.9071 -1.8785 -1.8785 1.0399 1.0399 1.9397 1.9397 2.4396 2.4396 2.9845 2.9845 3.3955 3.3955 3.6776 3.6776 4.8478 4.8478 5.7349 5.7349 6.1863 6.1863 6.4573 6.4573 6.8190 6.8190 k = 0.5324 0.0377-0.1343 ( 5684 PWs) bands (ev): -22.9779 -22.9779 -22.9771 -22.9771 -7.7245 -7.7245 -7.6932 -7.6932 -7.0827 -7.0827 -6.9033 -6.9033 -6.7744 -6.7744 -6.7618 -6.7618 -6.4225 -6.4225 -5.6929 -5.6929 -2.9123 -2.9123 -1.8838 -1.8838 1.0505 1.0505 1.9327 1.9327 2.3515 2.3515 2.9589 2.9589 3.3604 3.3604 3.6808 3.6808 4.8389 4.8389 5.8201 5.8201 6.2788 6.2788 6.4616 6.4616 6.7734 6.7734 k = 0.5389 0.0158-0.1343 ( 5684 PWs) bands (ev): -22.9776 -22.9776 -22.9768 -22.9768 -7.7238 -7.7238 -7.6937 -7.6937 -7.0771 -7.0771 -6.9011 -6.9011 -6.7786 -6.7786 -6.7649 -6.7649 -6.4162 -6.4162 -5.6793 -5.6793 -2.9190 -2.9190 -1.8906 -1.8906 1.0633 1.0633 1.9210 1.9210 2.2571 2.2571 2.9201 2.9201 3.3311 3.3311 3.6831 3.6831 4.8263 4.8263 5.9162 5.9162 6.3651 6.3651 6.4729 6.4729 6.7369 6.7369 k = 0.5454-0.0062-0.1343 ( 5678 PWs) bands (ev): -22.9772 -22.9772 -22.9765 -22.9765 -7.7231 -7.7231 -7.6943 -7.6943 -7.0706 -7.0706 -6.8986 -6.8986 -6.7833 -6.7833 -6.7685 -6.7685 -6.4086 -6.4086 -5.6633 -5.6633 -2.9271 -2.9271 -1.8990 -1.8990 1.0783 1.0783 1.9019 1.9019 2.1609 2.1609 2.8716 2.8716 3.3082 3.3082 3.6844 3.6844 4.8098 4.8098 6.0166 6.0166 6.4174 6.4174 6.4928 6.4928 6.7371 6.7371 k = 0.5518-0.0281-0.1343 ( 5680 PWs) bands (ev): -22.9768 -22.9768 -22.9761 -22.9761 -7.7224 -7.7224 -7.6950 -7.6950 -7.0634 -7.0634 -6.8957 -6.8957 -6.7887 -6.7887 -6.7726 -6.7726 -6.3995 -6.3995 -5.6447 -5.6447 -2.9370 -2.9370 -1.9094 -1.9094 1.0954 1.0954 1.8704 1.8704 2.0685 2.0685 2.8189 2.8189 3.2901 3.2901 3.6848 3.6848 4.7893 4.7893 6.1096 6.1096 6.4414 6.4414 6.4934 6.4934 6.8016 6.8016 k = 0.5583-0.0501-0.1343 ( 5680 PWs) bands (ev): -22.9763 -22.9763 -22.9756 -22.9756 -7.7218 -7.7218 -7.6959 -7.6959 -7.0553 -7.0553 -6.8926 -6.8926 -6.7945 -6.7945 -6.7771 -6.7771 -6.3889 -6.3889 -5.6235 -5.6235 -2.9487 -2.9487 -1.9218 -1.9218 1.1144 1.1144 1.8197 1.8197 1.9869 1.9869 2.7677 2.7677 3.2744 3.2744 3.6842 3.6842 4.7649 4.7649 6.1742 6.1742 6.4529 6.4529 6.4960 6.4960 6.9005 6.9005 k = 0.5648-0.0720-0.1343 ( 5680 PWs) bands (ev): -22.9758 -22.9758 -22.9751 -22.9751 -7.7212 -7.7212 -7.6969 -7.6969 -7.0467 -7.0467 -6.8892 -6.8892 -6.8009 -6.8009 -6.7820 -6.7820 -6.3767 -6.3767 -5.5998 -5.5998 -2.9626 -2.9626 -1.9367 -1.9367 1.1351 1.1351 1.7469 1.7469 1.9197 1.9197 2.7228 2.7228 3.2594 3.2594 3.6824 3.6824 4.7364 4.7364 6.1912 6.1912 6.4393 6.4393 6.5526 6.5526 6.9238 6.9238 k = 0.5713-0.0940-0.1343 ( 5674 PWs) bands (ev): -22.9752 -22.9752 -22.9746 -22.9746 -7.7207 -7.7207 -7.6980 -7.6980 -7.0374 -7.0374 -6.8856 -6.8856 -6.8076 -6.8076 -6.7871 -6.7871 -6.3627 -6.3627 -5.5735 -5.5735 -2.9787 -2.9787 -1.9543 -1.9543 1.1573 1.1573 1.6595 1.6595 1.8605 1.8605 2.6873 2.6873 3.2436 3.2436 3.6791 3.6791 4.7042 4.7042 6.1693 6.1693 6.4256 6.4256 6.6226 6.6226 6.8740 6.8740 k = 0.5778-0.1160-0.1343 ( 5676 PWs) bands (ev): -22.9746 -22.9746 -22.9740 -22.9740 -7.7204 -7.7204 -7.6993 -7.6993 -7.0278 -7.0278 -6.8818 -6.8818 -6.8146 -6.8146 -6.7925 -6.7925 -6.3469 -6.3469 -5.5447 -5.5447 -2.9974 -2.9974 -1.9749 -1.9749 1.1802 1.1802 1.5671 1.5671 1.8019 1.8019 2.6628 2.6628 3.2260 3.2260 3.6742 3.6742 4.6684 4.6684 6.1292 6.1292 6.4140 6.4140 6.6401 6.6401 6.8819 6.8819 k = 0.5842-0.1379-0.1343 ( 5682 PWs) bands (ev): -22.9740 -22.9740 -22.9734 -22.9734 -7.7202 -7.7202 -7.7007 -7.7007 -7.0179 -7.0179 -6.8779 -6.8779 -6.8219 -6.8219 -6.7981 -6.7981 -6.3290 -6.3290 -5.5132 -5.5132 -3.0188 -3.0188 -1.9988 -1.9988 1.2027 1.2027 1.4763 1.4763 1.7409 1.7409 2.6490 2.6490 3.2060 3.2060 3.6674 3.6674 4.6292 4.6292 6.0833 6.0833 6.4020 6.4020 6.5909 6.5909 6.9602 6.9602 k = 0.5907-0.1599-0.1343 ( 5682 PWs) bands (ev): -22.9733 -22.9733 -22.9727 -22.9727 -7.7203 -7.7203 -7.7023 -7.7023 -7.0079 -7.0079 -6.8740 -6.8740 -6.8293 -6.8293 -6.8037 -6.8037 -6.3091 -6.3091 -5.4791 -5.4791 -3.0432 -3.0432 -2.0264 -2.0264 1.2206 1.2206 1.3937 1.3937 1.6780 1.6780 2.6450 2.6450 3.1829 3.1829 3.6584 3.6584 4.5873 4.5873 6.0377 6.0377 6.3876 6.3876 6.5231 6.5231 7.0575 7.0575 k = 0.5972-0.1818-0.1343 ( 5686 PWs) bands (ev): -22.9726 -22.9726 -22.9721 -22.9721 -7.7206 -7.7206 -7.7040 -7.7040 -6.9980 -6.9980 -6.8701 -6.8701 -6.8366 -6.8366 -6.8092 -6.8092 -6.2871 -6.2871 -5.4424 -5.4424 -3.0708 -3.0708 -2.0579 -2.0579 1.2180 1.2180 1.3364 1.3364 1.6150 1.6150 2.6492 2.6492 3.1565 3.1565 3.6469 3.6469 4.5429 4.5429 5.9952 5.9952 6.3672 6.3672 6.4582 6.4582 7.1514 7.1514 k = 0.6037-0.2038-0.1343 ( 5686 PWs) bands (ev): -22.9719 -22.9719 -22.9714 -22.9714 -7.7211 -7.7211 -7.7059 -7.7059 -6.9882 -6.9882 -6.8668 -6.8668 -6.8435 -6.8435 -6.8144 -6.8144 -6.2627 -6.2627 -5.4031 -5.4031 -3.1017 -3.1017 -2.0936 -2.0936 1.1721 1.1721 1.3271 1.3271 1.5546 1.5546 2.6596 2.6596 3.1267 3.1267 3.6329 3.6329 4.4966 4.4966 5.9572 5.9572 6.3330 6.3330 6.4091 6.4091 7.2333 7.2333 k = 0.6102-0.2258-0.1343 ( 5680 PWs) bands (ev): -22.9711 -22.9711 -22.9707 -22.9707 -7.7219 -7.7219 -7.7080 -7.7080 -6.9789 -6.9789 -6.8651 -6.8651 -6.8487 -6.8487 -6.8194 -6.8194 -6.2360 -6.2360 -5.3611 -5.3611 -3.1360 -3.1360 -2.1337 -2.1337 1.1064 1.1064 1.3405 1.3405 1.5007 1.5007 2.6746 2.6746 3.0934 3.0934 3.6163 3.6163 4.4490 4.4490 5.9245 5.9245 6.2839 6.2839 6.3791 6.3791 7.2985 7.2985 k = 0.6166-0.2477-0.1343 ( 5692 PWs) bands (ev): -22.9704 -22.9704 -22.9700 -22.9700 -7.7229 -7.7229 -7.7102 -7.7102 -6.9703 -6.9703 -6.8672 -6.8672 -6.8501 -6.8501 -6.8237 -6.8237 -6.2069 -6.2069 -5.3165 -5.3165 -3.1740 -3.1740 -2.1786 -2.1786 1.0406 1.0406 1.3493 1.3493 1.4627 1.4627 2.6924 2.6924 3.0572 3.0572 3.5972 3.5972 4.4006 4.4006 5.8975 5.8975 6.2315 6.2315 6.3576 6.3576 7.3437 7.3437 k = 0.6231-0.2697-0.1343 ( 5692 PWs) bands (ev): -22.9696 -22.9696 -22.9693 -22.9693 -7.7242 -7.7242 -7.7126 -7.7126 -6.9625 -6.9625 -6.8727 -6.8727 -6.8482 -6.8482 -6.8272 -6.8272 -6.1754 -6.1754 -5.2692 -5.2692 -3.2156 -3.2156 -2.2281 -2.2281 0.9795 0.9795 1.3348 1.3348 1.4555 1.4555 2.7108 2.7108 3.0188 3.0188 3.5762 3.5762 4.3518 4.3518 5.8763 5.8763 6.1828 6.1828 6.3384 6.3384 7.3675 7.3675 k = 0.6296-0.2916-0.1343 ( 5688 PWs) bands (ev): -22.9689 -22.9689 -22.9686 -22.9686 -7.7257 -7.7257 -7.7150 -7.7150 -6.9557 -6.9557 -6.8794 -6.8794 -6.8454 -6.8454 -6.8296 -6.8296 -6.1415 -6.1415 -5.2193 -5.2193 -3.2608 -3.2608 -2.2825 -2.2825 0.9248 0.9248 1.3025 1.3025 1.4725 1.4725 2.7274 2.7274 2.9798 2.9798 3.5540 3.5540 4.3030 4.3030 5.8609 5.8609 6.1397 6.1397 6.3200 6.3200 7.3698 7.3698 k = 0.6361-0.3136-0.1343 ( 5678 PWs) bands (ev): -22.9681 -22.9681 -22.9678 -22.9678 -7.7275 -7.7275 -7.7176 -7.7176 -6.9501 -6.9501 -6.8862 -6.8862 -6.8428 -6.8428 -6.8303 -6.8303 -6.1052 -6.1052 -5.1668 -5.1668 -3.3095 -3.3095 -2.3416 -2.3416 0.8771 0.8771 1.2680 1.2680 1.4979 1.4979 2.7385 2.7385 2.9430 2.9430 3.5316 3.5316 4.2545 4.2545 5.8510 5.8510 6.1027 6.1027 6.3023 6.3023 7.3523 7.3523 k = 0.6426-0.3355-0.1343 ( 5682 PWs) bands (ev): -22.9674 -22.9674 -22.9671 -22.9671 -7.7294 -7.7294 -7.7203 -7.7203 -6.9458 -6.9458 -6.8930 -6.8930 -6.8410 -6.8410 -6.8291 -6.8291 -6.0666 -6.0666 -5.1117 -5.1117 -3.3616 -3.3616 -2.4054 -2.4054 0.8367 0.8367 1.2373 1.2373 1.5250 1.5250 2.7390 2.7390 2.9124 2.9124 3.5106 3.5106 4.2065 4.2065 5.8464 5.8464 6.0715 6.0715 6.2860 6.2860 7.3172 7.3172 k = 0.6490-0.3575-0.1343 ( 5688 PWs) bands (ev): -22.9667 -22.9667 -22.9664 -22.9664 -7.7316 -7.7316 -7.7230 -7.7230 -6.9430 -6.9430 -6.8996 -6.8996 -6.8395 -6.8395 -6.8265 -6.8265 -6.0258 -6.0258 -5.0541 -5.0541 -3.4169 -3.4169 -2.4736 -2.4736 0.8037 0.8037 1.2121 1.2121 1.5513 1.5513 2.7248 2.7248 2.8913 2.8913 3.4931 3.4931 4.1591 4.1591 5.8467 5.8467 6.0453 6.0453 6.2720 6.2720 7.2674 7.2674 k = 0.6555-0.3795-0.1343 ( 5692 PWs) bands (ev): -22.9659 -22.9659 -22.9658 -22.9658 -7.7338 -7.7338 -7.7258 -7.7258 -6.9414 -6.9414 -6.9059 -6.9059 -6.8379 -6.8379 -6.8231 -6.8231 -5.9830 -5.9830 -4.9939 -4.9939 -3.4751 -3.4751 -2.5460 -2.5460 0.7781 0.7781 1.1931 1.1931 1.5751 1.5751 2.6971 2.6971 2.8774 2.8774 3.4813 3.4813 4.1125 4.1125 5.8512 5.8512 6.0232 6.0232 6.2619 6.2619 7.2057 7.2057 k = 0.6620-0.4014-0.1343 ( 5694 PWs) bands (ev): -22.9652 -22.9652 -22.9651 -22.9651 -7.7361 -7.7361 -7.7286 -7.7286 -6.9410 -6.9410 -6.9119 -6.9119 -6.8357 -6.8357 -6.8195 -6.8195 -5.9383 -5.9383 -4.9312 -4.9312 -3.5357 -3.5357 -2.6223 -2.6223 0.7597 0.7597 1.1805 1.1805 1.5949 1.5949 2.6620 2.6620 2.8644 2.8644 3.4771 3.4771 4.0667 4.0667 5.8587 5.8587 6.0043 6.0043 6.2570 6.2570 7.1347 7.1347 k = 0.6685-0.4234-0.1343 ( 5692 PWs) bands (ev): -22.9646 -22.9646 -22.9645 -22.9645 -7.7385 -7.7385 -7.7314 -7.7314 -6.9415 -6.9415 -6.9175 -6.9175 -6.8330 -6.8330 -6.8158 -6.8158 -5.8919 -5.8919 -4.8660 -4.8660 -3.5985 -3.5985 -2.7021 -2.7021 0.7484 0.7484 1.1740 1.1740 1.6094 1.6094 2.6253 2.6253 2.8472 2.8472 3.4818 3.4818 4.0220 4.0220 5.8670 5.8670 5.9892 5.9892 6.2587 6.2587 7.0566 7.0566 k = 0.6749-0.4453-0.1343 ( 5694 PWs) bands (ev): -22.9639 -22.9639 -22.9639 -22.9639 -7.7409 -7.7409 -7.7342 -7.7342 -6.9426 -6.9426 -6.9226 -6.9226 -6.8300 -6.8300 -6.8121 -6.8121 -5.8443 -5.8443 -4.7985 -4.7985 -3.6627 -3.6627 -2.7850 -2.7850 0.7438 0.7438 1.1735 1.1735 1.6171 1.6171 2.5904 2.5904 2.8238 2.8238 3.4955 3.4955 3.9786 3.9786 5.8718 5.8718 5.9806 5.9806 6.2680 6.2680 6.9736 6.9736 k = 0.6814-0.4673-0.1343 ( 5696 PWs) bands (ev): -22.9634 -22.9634 -22.9633 -22.9633 -7.7433 -7.7433 -7.7369 -7.7369 -6.9443 -6.9443 -6.9274 -6.9274 -6.8268 -6.8268 -6.8086 -6.8086 -5.7957 -5.7957 -4.7286 -4.7286 -3.7279 -3.7279 -2.8707 -2.8707 0.7456 0.7456 1.1785 1.1785 1.6170 1.6170 2.5595 2.5595 2.7947 2.7947 3.5175 3.5175 3.9367 3.9367 5.8678 5.8678 5.9830 5.9830 6.2849 6.2849 6.8873 6.8873 k = 0.6879-0.4893-0.1343 ( 5697 PWs) bands (ev): -22.9629 -22.9629 -22.9627 -22.9627 -7.7456 -7.7456 -7.7396 -7.7396 -6.9462 -6.9462 -6.9317 -6.9317 -6.8236 -6.8236 -6.8052 -6.8052 -5.7466 -5.7466 -4.6564 -4.6564 -3.7934 -3.7934 -2.9586 -2.9586 0.7535 0.7535 1.1884 1.1884 1.6083 1.6083 2.5332 2.5332 2.7619 2.7619 3.5460 3.5460 3.8967 3.8967 5.8537 5.8537 5.9971 5.9971 6.3091 6.3091 6.7995 6.7995 k = 0.6944-0.5112-0.1343 ( 5685 PWs) bands (ev): -22.9624 -22.9624 -22.9622 -22.9622 -7.7477 -7.7477 -7.7420 -7.7420 -6.9482 -6.9482 -6.9355 -6.9355 -6.8204 -6.8204 -6.8019 -6.8019 -5.6975 -5.6975 -4.5821 -4.5821 -3.8584 -3.8584 -3.0485 -3.0485 0.7669 0.7669 1.2027 1.2027 1.5909 1.5909 2.5109 2.5109 2.7283 2.7283 3.5794 3.5794 3.8591 3.8591 5.8333 5.8333 6.0188 6.0188 6.3397 6.3397 6.7124 6.7124 k = 0.7009-0.5332-0.1343 ( 5691 PWs) bands (ev): -22.9620 -22.9620 -22.9617 -22.9617 -7.7497 -7.7497 -7.7444 -7.7444 -6.9502 -6.9502 -6.9390 -6.9390 -6.8174 -6.8174 -6.7989 -6.7989 -5.6492 -5.6492 -4.5056 -4.5056 -3.9219 -3.9219 -3.1397 -3.1397 0.7854 0.7854 1.2207 1.2207 1.5655 1.5655 2.4905 2.4905 2.6975 2.6975 3.6157 3.6157 3.8245 3.8245 5.8101 5.8101 6.0438 6.0438 6.3754 6.3754 6.6285 6.6285 k = 0.7073-0.5551-0.1343 ( 5687 PWs) bands (ev): -22.9616 -22.9616 -22.9613 -22.9613 -7.7515 -7.7515 -7.7465 -7.7465 -6.9521 -6.9521 -6.9420 -6.9420 -6.8147 -6.8147 -6.7960 -6.7960 -5.6026 -5.6026 -4.4272 -4.4272 -3.9829 -3.9829 -3.2320 -3.2320 0.8083 0.8083 1.2416 1.2416 1.5334 1.5334 2.4689 2.4689 2.6731 2.6731 3.6530 3.6530 3.7941 3.7941 5.7864 5.7864 6.0675 6.0675 6.4129 6.4129 6.5533 6.5533 k = 0.7138-0.5771-0.1343 ( 5683 PWs) bands (ev): -22.9613 -22.9613 -22.9609 -22.9609 -7.7531 -7.7531 -7.7484 -7.7484 -6.9538 -6.9538 -6.9445 -6.9445 -6.8122 -6.8122 -6.7934 -6.7934 -5.5585 -5.5585 -4.3470 -4.3470 -4.0402 -4.0402 -3.3250 -3.3250 0.8351 0.8351 1.2643 1.2643 1.4964 1.4964 2.4438 2.4438 2.6575 2.6575 3.6883 3.6883 3.7699 3.7699 5.7640 5.7640 6.0839 6.0839 6.4362 6.4362 6.5073 6.5073 k = 0.7203-0.5991-0.1343 ( 5679 PWs) bands (ev): -22.9610 -22.9610 -22.9605 -22.9605 -7.7544 -7.7544 -7.7501 -7.7501 -6.9552 -6.9552 -6.9466 -6.9466 -6.8100 -6.8100 -6.7910 -6.7910 -5.5184 -5.5184 -4.2653 -4.2653 -4.0923 -4.0923 -3.4181 -3.4181 0.8646 0.8646 1.2876 1.2876 1.4567 1.4567 2.4154 2.4154 2.6504 2.6504 3.7118 3.7118 3.7613 3.7613 5.7441 5.7441 6.0835 6.0835 6.4159 6.4159 6.5276 6.5276 k = 0.7268-0.6210-0.1343 ( 5683 PWs) bands (ev): -22.9608 -22.9608 -22.9603 -22.9603 -7.7554 -7.7554 -7.7514 -7.7514 -6.9563 -6.9563 -6.9483 -6.9483 -6.8081 -6.8081 -6.7889 -6.7889 -5.4835 -5.4835 -4.1836 -4.1836 -4.1365 -4.1365 -3.5108 -3.5108 0.8959 0.8959 1.3090 1.3090 1.4177 1.4177 2.3858 2.3858 2.6496 2.6496 3.7103 3.7103 3.7811 3.7811 5.7277 5.7277 6.0577 6.0577 6.4030 6.4030 6.5696 6.5696 k = 0.2732-0.9259-0.0000 ( 5683 PWs) bands (ev): -22.9608 -22.9608 -22.9603 -22.9603 -7.7554 -7.7554 -7.7514 -7.7514 -6.9563 -6.9563 -6.9483 -6.9483 -6.8081 -6.8081 -6.7889 -6.7889 -5.4835 -5.4835 -4.1836 -4.1836 -4.1365 -4.1365 -3.5108 -3.5108 0.8959 0.8959 1.3090 1.3090 1.4177 1.4177 2.3858 2.3858 2.6496 2.6496 3.7103 3.7103 3.7811 3.7811 5.7277 5.7277 6.0577 6.0577 6.4030 6.4030 6.5696 6.5696 k = 0.2667-0.9038-0.0000 ( 5685 PWs) bands (ev): -22.9607 -22.9607 -22.9601 -22.9601 -7.7561 -7.7561 -7.7525 -7.7525 -6.9572 -6.9572 -6.9496 -6.9496 -6.8065 -6.8065 -6.7869 -6.7869 -5.4555 -5.4555 -4.1768 -4.1768 -4.0966 -4.0966 -3.6026 -3.6026 0.9273 0.9273 1.3222 1.3222 1.3871 1.3871 2.3576 2.3576 2.6523 2.6523 3.7021 3.7021 3.8105 3.8105 5.7156 5.7156 6.0078 6.0078 6.4150 6.4150 6.6115 6.6115 k = 0.2602-0.8818-0.0000 ( 5691 PWs) bands (ev): -22.9606 -22.9606 -22.9599 -22.9599 -7.7565 -7.7565 -7.7533 -7.7533 -6.9576 -6.9576 -6.9504 -6.9504 -6.8054 -6.8054 -6.7853 -6.7853 -5.4361 -5.4361 -4.2035 -4.2035 -4.0147 -4.0147 -3.6910 -3.6910 0.9561 0.9561 1.3133 1.3133 1.3809 1.3809 2.3339 2.3339 2.6561 2.6561 3.6978 3.6978 3.8385 3.8385 5.7088 5.7088 5.9438 5.9438 6.4445 6.4445 6.6462 6.6462 k = 0.2537-0.8598-0.0000 ( 5689 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7565 -7.7565 -7.7538 -7.7538 -6.9577 -6.9577 -6.9508 -6.9508 -6.8045 -6.8045 -6.7838 -6.7838 -5.4265 -5.4265 -4.2190 -4.2190 -3.9432 -3.9432 -3.7665 -3.7665 0.9782 0.9782 1.2933 1.2933 1.3910 1.3910 2.3168 2.3168 2.6594 2.6594 3.6992 3.6992 3.8627 3.8627 5.7071 5.7071 5.8744 5.8744 6.4840 6.4840 6.6676 6.6676 k = 0.2472-0.8377-0.0000 ( 5693 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7561 -7.7561 -7.7540 -7.7540 -6.9574 -6.9574 -6.9508 -6.9508 -6.8039 -6.8039 -6.7827 -6.7827 -5.4278 -5.4278 -4.2222 -4.2222 -3.9343 -3.9343 -3.7773 -3.7773 0.9888 0.9888 1.2821 1.2821 1.4017 1.4017 2.3079 2.3079 2.6613 2.6613 3.7068 3.7068 3.8822 3.8822 5.7088 5.7088 5.8066 5.8066 6.5289 6.5289 6.6718 6.6718 k = 0.2407-0.8157-0.0000 ( 5679 PWs) bands (ev): -22.9607 -22.9607 -22.9598 -22.9598 -7.7554 -7.7554 -7.7537 -7.7537 -6.9568 -6.9568 -6.9503 -6.9503 -6.8037 -6.8037 -6.7817 -6.7817 -5.4400 -5.4400 -4.2130 -4.2130 -4.0016 -4.0016 -3.7097 -3.7097 0.9847 0.9847 1.2863 1.2863 1.4089 1.4089 2.3084 2.3084 2.6617 2.6617 3.7201 3.7201 3.8964 3.8964 5.6974 5.6974 5.7597 5.7597 6.5763 6.5763 6.6597 6.6597 k = 0.2342-0.7936-0.0000 ( 5677 PWs) bands (ev): -22.9608 -22.9608 -22.9598 -22.9598 -7.7544 -7.7544 -7.7532 -7.7532 -6.9557 -6.9557 -6.9494 -6.9494 -6.8038 -6.8038 -6.7810 -6.7810 -5.4626 -5.4626 -4.1920 -4.1920 -4.0848 -4.0848 -3.6240 -3.6240 0.9676 0.9676 1.3046 1.3046 1.4118 1.4118 2.3184 2.3184 2.6608 2.6608 3.7386 3.7386 3.9052 3.9052 5.6461 5.6461 5.7621 5.7621 6.6168 6.6168 6.6434 6.6434 k = 0.2277-0.7716-0.0000 ( 5671 PWs) bands (ev): -22.9610 -22.9610 -22.9600 -22.9600 -7.7530 -7.7530 -7.7522 -7.7522 -6.9542 -6.9542 -6.9480 -6.9480 -6.8042 -6.8042 -6.7806 -6.7806 -5.4942 -5.4942 -4.1746 -4.1746 -4.1563 -4.1563 -3.5338 -3.5338 0.9425 0.9425 1.3308 1.3308 1.4121 1.4121 2.3375 2.3375 2.6595 2.6595 3.7613 3.7613 3.9089 3.9089 5.5848 5.5848 5.7845 5.7845 6.5964 6.5964 6.6810 6.6810 k = 0.2212-0.7495-0.0000 ( 5671 PWs) bands (ev): -22.9613 -22.9613 -22.9602 -22.9602 -7.7516 -7.7516 -7.7507 -7.7507 -6.9524 -6.9524 -6.9461 -6.9461 -6.8049 -6.8049 -6.7804 -6.7804 -5.5335 -5.5335 -4.2572 -4.2572 -4.1186 -4.1186 -3.4420 -3.4420 0.9142 0.9142 1.3554 1.3554 1.4149 1.4149 2.3645 2.3645 2.6587 2.6587 3.7871 3.7871 3.9081 3.9081 5.5258 5.5258 5.8147 5.8147 6.5601 6.5601 6.7304 6.7304 k = 0.2147-0.7275-0.0000 ( 5671 PWs) bands (ev): -22.9616 -22.9616 -22.9604 -22.9604 -7.7500 -7.7500 -7.7487 -7.7487 -6.9501 -6.9501 -6.9439 -6.9439 -6.8059 -6.8059 -6.7804 -6.7804 -5.5788 -5.5788 -4.3416 -4.3416 -4.0706 -4.0706 -3.3494 -3.3494 0.8856 0.8856 1.3654 1.3654 1.4313 1.4313 2.3976 2.3976 2.6599 2.6599 3.8145 3.8145 3.9036 3.9036 5.4716 5.4716 5.8499 5.8499 6.5217 6.5217 6.7800 6.7800 k = 0.2082-0.7054-0.0000 ( 5669 PWs) bands (ev): -22.9620 -22.9620 -22.9607 -22.9607 -7.7483 -7.7483 -7.7462 -7.7462 -6.9475 -6.9475 -6.9411 -6.9411 -6.8071 -6.8071 -6.7806 -6.7806 -5.6286 -5.6286 -4.4247 -4.4247 -4.0169 -4.0169 -3.2568 -3.2568 0.8588 0.8588 1.3612 1.3612 1.4596 1.4596 2.4348 2.4348 2.6646 2.6646 3.8410 3.8410 3.8980 3.8980 5.4233 5.4233 5.8884 5.8884 6.4839 6.4839 6.8286 6.8286 k = 0.2017-0.6834-0.0000 ( 5663 PWs) bands (ev): -22.9625 -22.9625 -22.9611 -22.9611 -7.7463 -7.7463 -7.7435 -7.7435 -6.9444 -6.9444 -6.9380 -6.9380 -6.8086 -6.8086 -6.7811 -6.7811 -5.6818 -5.6818 -4.5060 -4.5060 -3.9588 -3.9588 -3.1645 -3.1645 0.8351 0.8351 1.3523 1.3523 1.4899 1.4899 2.4737 2.4737 2.6744 2.6744 3.8582 3.8582 3.8996 3.8996 5.3816 5.3816 5.9280 5.9280 6.4485 6.4485 6.8757 6.8757 k = 0.1952-0.6614-0.0000 ( 5659 PWs) bands (ev): -22.9629 -22.9629 -22.9615 -22.9615 -7.7442 -7.7442 -7.7404 -7.7404 -6.9409 -6.9409 -6.9343 -6.9343 -6.8102 -6.8102 -6.7817 -6.7817 -5.7372 -5.7372 -4.5855 -4.5855 -3.8978 -3.8978 -3.0729 -3.0729 0.8154 0.8154 1.3429 1.3429 1.5179 1.5179 2.5119 2.5119 2.6909 2.6909 3.8557 3.8557 3.9189 3.9189 5.3473 5.3473 5.9663 5.9663 6.4174 6.4174 6.9207 6.9207 k = 0.1886-0.6393-0.0000 ( 5665 PWs) bands (ev): -22.9635 -22.9635 -22.9620 -22.9620 -7.7418 -7.7418 -7.7372 -7.7372 -6.9371 -6.9371 -6.9303 -6.9303 -6.8121 -6.8121 -6.7826 -6.7826 -5.7940 -5.7940 -4.6630 -4.6630 -3.8349 -3.8349 -2.9825 -2.9825 0.8003 0.8003 1.3352 1.3352 1.5418 1.5418 2.5473 2.5473 2.7151 2.7151 3.8445 3.8445 3.9454 3.9454 5.3207 5.3207 6.0004 6.0004 6.3928 6.3928 6.9632 6.9632 k = 0.1821-0.6173-0.0000 ( 5663 PWs) bands (ev): -22.9640 -22.9640 -22.9625 -22.9625 -7.7393 -7.7393 -7.7337 -7.7337 -6.9328 -6.9328 -6.9259 -6.9259 -6.8141 -6.8141 -6.7836 -6.7836 -5.8515 -5.8515 -4.7384 -4.7384 -3.7710 -3.7710 -2.8936 -2.8936 0.7905 0.7905 1.3302 1.3302 1.5606 1.5606 2.5791 2.5791 2.7464 2.7464 3.8317 3.8317 3.9729 3.9729 5.3023 5.3023 6.0268 6.0268 6.3770 6.3770 7.0025 7.0025 k = 0.1756-0.5952-0.0000 ( 5661 PWs) bands (ev): -22.9647 -22.9647 -22.9630 -22.9630 -7.7366 -7.7366 -7.7300 -7.7300 -6.9282 -6.9282 -6.9211 -6.9211 -6.8162 -6.8162 -6.7848 -6.7848 -5.9091 -5.9091 -4.8115 -4.8115 -3.7069 -3.7069 -2.8067 -2.8067 0.7864 0.7864 1.3291 1.3291 1.5742 1.5742 2.6077 2.6077 2.7826 2.7826 3.8197 3.8197 3.9999 3.9999 5.2921 5.2921 6.0426 6.0426 6.3723 6.3723 7.0378 7.0378 k = 0.1691-0.5732-0.0000 ( 5659 PWs) bands (ev): -22.9653 -22.9653 -22.9636 -22.9636 -7.7339 -7.7339 -7.7262 -7.7262 -6.9232 -6.9232 -6.9159 -6.9159 -6.8185 -6.8185 -6.7862 -6.7862 -5.9663 -5.9663 -4.8824 -4.8824 -3.6434 -3.6434 -2.7221 -2.7221 0.7883 0.7883 1.3325 1.3325 1.5827 1.5827 2.6342 2.6342 2.8206 2.8206 3.8098 3.8098 4.0264 4.0264 5.2902 5.2902 6.0466 6.0466 6.3788 6.3788 7.0681 7.0681 k = 0.1626-0.5511-0.0000 ( 5665 PWs) bands (ev): -22.9660 -22.9660 -22.9642 -22.9642 -7.7310 -7.7310 -7.7223 -7.7223 -6.9179 -6.9179 -6.9104 -6.9104 -6.8208 -6.8208 -6.7876 -6.7876 -6.0228 -6.0228 -4.9509 -4.9509 -3.5811 -3.5811 -2.6402 -2.6402 0.7965 0.7965 1.3410 1.3410 1.5864 1.5864 2.6589 2.6589 2.8577 2.8577 3.8032 3.8032 4.0527 4.0527 5.2964 5.2964 6.0402 6.0402 6.3946 6.3946 7.0923 7.0923 k = 0.1561-0.5291-0.0000 ( 5661 PWs) bands (ev): -22.9667 -22.9667 -22.9649 -22.9649 -7.7282 -7.7282 -7.7183 -7.7183 -6.9122 -6.9122 -6.9047 -6.9047 -6.8231 -6.8231 -6.7892 -6.7892 -6.0784 -6.0784 -5.0170 -5.0170 -3.5204 -3.5204 -2.5615 -2.5615 0.8113 0.8113 1.3551 1.3551 1.5863 1.5863 2.6819 2.6819 2.8917 2.8917 3.8007 3.8007 4.0793 4.0793 5.3104 5.3104 6.0262 6.0262 6.4162 6.4162 7.1090 7.1090 k = 0.1496-0.5070-0.0000 ( 5661 PWs) bands (ev): -22.9674 -22.9674 -22.9655 -22.9655 -7.7253 -7.7253 -7.7143 -7.7143 -6.9063 -6.9063 -6.8988 -6.8988 -6.8253 -6.8253 -6.7909 -6.7909 -6.1326 -6.1326 -5.0807 -5.0807 -3.4619 -3.4619 -2.4863 -2.4863 0.8328 0.8328 1.3749 1.3749 1.5832 1.5832 2.7027 2.7027 2.9209 2.9209 3.8030 3.8030 4.1066 4.1066 5.3320 5.3320 6.0076 6.0076 6.4409 6.4409 7.1167 7.1167 k = 0.1431-0.4850-0.0000 ( 5665 PWs) bands (ev): -22.9682 -22.9682 -22.9662 -22.9662 -7.7225 -7.7225 -7.7102 -7.7102 -6.9002 -6.9002 -6.8927 -6.8927 -6.8274 -6.8274 -6.7926 -6.7926 -6.1853 -6.1853 -5.1418 -5.1418 -3.4059 -3.4059 -2.4149 -2.4149 0.8610 0.8610 1.4002 1.4002 1.5787 1.5787 2.7208 2.7208 2.9445 2.9445 3.8104 3.8104 4.1352 4.1352 5.3607 5.3607 5.9861 5.9861 6.4672 6.4672 7.1144 7.1144 k = 0.1366-0.4629-0.0000 ( 5665 PWs) bands (ev): -22.9689 -22.9689 -22.9669 -22.9669 -7.7197 -7.7197 -7.7062 -7.7062 -6.8938 -6.8938 -6.8868 -6.8868 -6.8292 -6.8292 -6.7944 -6.7944 -6.2364 -6.2364 -5.2004 -5.2004 -3.3527 -3.3527 -2.3476 -2.3476 0.8959 0.8959 1.4298 1.4298 1.5748 1.5748 2.7356 2.7356 2.9621 2.9621 3.8226 3.8226 4.1651 4.1651 5.3962 5.3962 5.9628 5.9628 6.4946 6.4946 7.1013 7.1013 k = 0.1301-0.4409-0.0000 ( 5677 PWs) bands (ev): -22.9697 -22.9697 -22.9676 -22.9676 -7.7170 -7.7170 -7.7023 -7.7023 -6.8874 -6.8874 -6.8811 -6.8811 -6.8306 -6.8306 -6.7962 -6.7962 -6.2856 -6.2856 -5.2564 -5.2564 -3.3027 -3.3027 -2.2846 -2.2846 0.9370 0.9370 1.4606 1.4606 1.5760 1.5760 2.7467 2.7467 2.9739 2.9739 3.8390 3.8390 4.1965 4.1965 5.4383 5.4383 5.9385 5.9385 6.5232 6.5232 7.0773 7.0773 k = 0.1236-0.4189-0.0000 ( 5679 PWs) bands (ev): -22.9705 -22.9705 -22.9683 -22.9683 -7.7143 -7.7143 -7.6985 -7.6985 -6.8811 -6.8811 -6.8759 -6.8759 -6.8311 -6.8311 -6.7979 -6.7979 -6.3328 -6.3328 -5.3098 -5.3098 -3.2559 -3.2559 -2.2262 -2.2262 0.9838 0.9838 1.4847 1.4847 1.5910 1.5910 2.7540 2.7540 2.9805 2.9805 3.8589 3.8589 4.2290 4.2290 5.4865 5.4865 5.9135 5.9135 6.5538 6.5538 7.0427 7.0427 k = 0.1171-0.3968-0.0000 ( 5675 PWs) bands (ev): -22.9712 -22.9712 -22.9690 -22.9690 -7.7118 -7.7118 -7.6947 -7.6947 -6.8753 -6.8753 -6.8713 -6.8713 -6.8305 -6.8305 -6.7995 -6.7995 -6.3780 -6.3780 -5.3606 -5.3606 -3.2126 -3.2126 -2.1723 -2.1723 1.0354 1.0354 1.4959 1.4959 1.6271 1.6271 2.7576 2.7576 2.9828 2.9828 3.8810 3.8810 4.2621 4.2621 5.5403 5.5403 5.8883 5.8883 6.5867 6.5867 6.9986 6.9986 k = 0.1106-0.3748-0.0000 ( 5671 PWs) bands (ev): -22.9720 -22.9720 -22.9697 -22.9697 -7.7094 -7.7094 -7.6911 -7.6911 -6.8713 -6.8713 -6.8663 -6.8663 -6.8286 -6.8286 -6.8009 -6.8009 -6.4209 -6.4209 -5.4086 -5.4086 -3.1727 -3.1727 -2.1231 -2.1231 1.0899 1.0899 1.5001 1.5001 1.6801 1.6801 2.7578 2.7578 2.9822 2.9822 3.9043 3.9043 4.2951 4.2951 5.5988 5.5988 5.8641 5.8641 6.6217 6.6217 6.9466 6.9466 k = 0.1041-0.3527-0.0000 ( 5675 PWs) bands (ev): -22.9728 -22.9728 -22.9704 -22.9704 -7.7071 -7.7071 -7.6877 -7.6877 -6.8697 -6.8697 -6.8605 -6.8605 -6.8254 -6.8254 -6.8020 -6.8020 -6.4615 -6.4615 -5.4540 -5.4540 -3.1363 -3.1363 -2.0784 -2.0784 1.1444 1.1444 1.5058 1.5058 1.7437 1.7437 2.7550 2.7550 2.9797 2.9797 3.9278 3.9278 4.3274 4.3274 5.6588 5.6588 5.8439 5.8439 6.6563 6.6563 6.8904 6.8904 k = 0.0976-0.3307-0.0000 ( 5683 PWs) bands (ev): -22.9735 -22.9735 -22.9711 -22.9711 -7.7050 -7.7050 -7.6844 -7.6844 -6.8697 -6.8697 -6.8549 -6.8549 -6.8212 -6.8212 -6.8025 -6.8025 -6.4997 -6.4997 -5.4967 -5.4967 -3.1032 -3.1032 -2.0382 -2.0382 1.1944 1.1944 1.5200 1.5200 1.8145 1.8145 2.7498 2.7498 2.9766 2.9766 3.9507 3.9507 4.3582 4.3582 5.7091 5.7091 5.8387 5.8387 6.6786 6.6786 6.8424 6.8424 k = 0.0911-0.3086-0.0000 ( 5677 PWs) bands (ev): -22.9742 -22.9742 -22.9718 -22.9718 -7.7030 -7.7030 -7.6813 -7.6813 -6.8707 -6.8707 -6.8496 -6.8496 -6.8170 -6.8170 -6.8018 -6.8018 -6.5354 -6.5354 -5.5367 -5.5367 -3.0735 -3.0735 -2.0023 -2.0023 1.2341 1.2341 1.5493 1.5493 1.8904 1.8904 2.7426 2.7426 2.9742 2.9742 3.9722 3.9722 4.3868 4.3868 5.7249 5.7249 5.8731 5.8731 6.6566 6.6566 6.8350 6.8350 k = 0.0846-0.2866-0.0000 ( 5679 PWs) bands (ev): -22.9749 -22.9749 -22.9724 -22.9724 -7.7011 -7.7011 -7.6784 -7.6784 -6.8723 -6.8723 -6.8450 -6.8450 -6.8136 -6.8136 -6.7994 -6.7994 -6.5684 -6.5684 -5.5739 -5.5739 -3.0469 -3.0469 -1.9704 -1.9704 1.2597 1.2597 1.5975 1.5975 1.9694 1.9694 2.7340 2.7340 2.9739 2.9739 3.9920 3.9920 4.4128 4.4128 5.7113 5.7113 5.9416 5.9416 6.5880 6.5880 6.8701 6.8701 k = 0.0781-0.2645-0.0000 ( 5677 PWs) bands (ev): -22.9755 -22.9755 -22.9730 -22.9730 -7.6995 -7.6995 -7.6757 -7.6757 -6.8744 -6.8744 -6.8413 -6.8413 -6.8113 -6.8113 -6.7952 -6.7952 -6.5987 -6.5987 -5.6084 -5.6084 -3.0233 -3.0233 -1.9423 -1.9423 1.2721 1.2721 1.6630 1.6630 2.0497 2.0497 2.7247 2.7247 2.9771 2.9771 4.0097 4.0097 4.4357 4.4357 5.6884 5.6884 6.0231 6.0231 6.4994 6.4994 6.9204 6.9204 k = 0.0716-0.2425-0.0000 ( 5677 PWs) bands (ev): -22.9762 -22.9762 -22.9736 -22.9736 -7.6979 -7.6979 -7.6732 -7.6732 -6.8768 -6.8768 -6.8386 -6.8386 -6.8098 -6.8098 -6.7897 -6.7897 -6.6261 -6.6261 -5.6402 -5.6402 -3.0025 -3.0025 -1.9178 -1.9178 1.2754 1.2754 1.7412 1.7412 2.1290 2.1290 2.7152 2.7152 2.9854 2.9854 4.0253 4.0253 4.4551 4.4551 5.6631 5.6631 6.1080 6.1080 6.4034 6.4034 6.9711 6.9711 k = 0.0651-0.2205-0.0000 ( 5671 PWs) bands (ev): -22.9767 -22.9767 -22.9741 -22.9741 -7.6966 -7.6966 -7.6709 -7.6709 -6.8794 -6.8794 -6.8369 -6.8369 -6.8085 -6.8085 -6.7839 -6.7839 -6.6504 -6.6504 -5.6692 -5.6692 -2.9844 -2.9844 -1.8966 -1.8966 1.2733 1.2733 1.8272 1.8272 2.2048 2.2048 2.7061 2.7061 3.0006 3.0006 4.0386 4.0386 4.4710 4.4710 5.6376 5.6376 6.1796 6.1796 6.3174 6.3174 7.0048 7.0048 k = 0.0585-0.1984-0.0000 ( 5673 PWs) bands (ev): -22.9773 -22.9773 -22.9746 -22.9746 -7.6953 -7.6953 -7.6688 -7.6688 -6.8820 -6.8820 -6.8360 -6.8360 -6.8075 -6.8075 -6.7780 -6.7780 -6.6716 -6.6716 -5.6954 -5.6954 -2.9687 -2.9687 -1.8783 -1.8783 1.2684 1.2684 1.9170 1.9170 2.2744 2.2744 2.6980 2.6980 3.0242 3.0242 4.0499 4.0499 4.4832 4.4832 5.6129 5.6129 6.1515 6.1515 6.3277 6.3277 6.9859 6.9859 k = 0.0520-0.1764-0.0000 ( 5673 PWs) bands (ev): -22.9777 -22.9777 -22.9751 -22.9751 -7.6943 -7.6943 -7.6670 -7.6670 -6.8847 -6.8847 -6.8356 -6.8356 -6.8072 -6.8072 -6.7724 -6.7724 -6.6893 -6.6893 -5.7189 -5.7189 -2.9552 -2.9552 -1.8628 -1.8628 1.2622 1.2622 2.0074 2.0074 2.3353 2.3353 2.6916 2.6916 3.0574 3.0574 4.0592 4.0592 4.4915 4.4915 5.5897 5.5897 6.0539 6.0539 6.4021 6.4021 6.9052 6.9052 k = 0.0455-0.1543-0.0000 ( 5669 PWs) bands (ev): -22.9782 -22.9782 -22.9755 -22.9755 -7.6933 -7.6933 -7.6653 -7.6653 -6.8875 -6.8875 -6.8356 -6.8356 -6.8077 -6.8077 -6.7671 -6.7671 -6.7037 -6.7037 -5.7396 -5.7396 -2.9438 -2.9438 -1.8498 -1.8498 1.2556 1.2556 2.0952 2.0952 2.3860 2.3860 2.6877 2.6877 3.1000 3.1000 4.0667 4.0667 4.4961 4.4961 5.5684 5.5684 5.9504 5.9504 6.4676 6.4676 6.8123 6.8123 k = 0.0390-0.1323-0.0000 ( 5665 PWs) bands (ev): -22.9785 -22.9785 -22.9759 -22.9759 -7.6925 -7.6925 -7.6639 -7.6639 -6.8901 -6.8901 -6.8357 -6.8357 -6.8093 -6.8093 -6.7623 -6.7623 -6.7147 -6.7147 -5.7576 -5.7576 -2.9342 -2.9342 -1.8389 -1.8389 1.2492 1.2492 2.1772 2.1772 2.4261 2.4261 2.6872 2.6872 3.1502 3.1502 4.0726 4.0726 4.4970 4.4970 5.5493 5.5493 5.8510 5.8510 6.4849 6.4849 6.7630 6.7630 k = 0.0325-0.1102-0.0000 ( 5667 PWs) bands (ev): -22.9789 -22.9789 -22.9762 -22.9762 -7.6919 -7.6919 -7.6627 -7.6627 -6.8927 -6.8927 -6.8359 -6.8359 -6.8117 -6.8117 -6.7579 -6.7579 -6.7227 -6.7227 -5.7728 -5.7728 -2.9264 -2.9264 -1.8301 -1.8301 1.2434 1.2434 2.2499 2.2499 2.4563 2.4563 2.6912 2.6912 3.2047 3.2047 4.0771 4.0771 4.4944 4.4944 5.5329 5.5329 5.7600 5.7600 6.4315 6.4315 6.7869 6.7869 k = 0.0260-0.0882-0.0000 ( 5671 PWs) bands (ev): -22.9792 -22.9792 -22.9765 -22.9765 -7.6913 -7.6913 -7.6617 -7.6617 -6.8950 -6.8950 -6.8361 -6.8361 -6.8146 -6.8146 -6.7542 -6.7542 -6.7282 -6.7282 -5.7852 -5.7852 -2.9203 -2.9203 -1.8232 -1.8232 1.2383 1.2383 2.3100 2.3100 2.4782 2.4782 2.6999 2.6999 3.2590 3.2590 4.0805 4.0805 4.4891 4.4891 5.5193 5.5193 5.6808 5.6808 6.3501 6.3501 6.8448 6.8448 k = 0.0195-0.0661-0.0000 ( 5669 PWs) bands (ev): -22.9794 -22.9794 -22.9767 -22.9767 -7.6909 -7.6909 -7.6610 -7.6610 -6.8970 -6.8970 -6.8362 -6.8362 -6.8175 -6.8175 -6.7510 -6.7510 -6.7318 -6.7318 -5.7949 -5.7949 -2.9156 -2.9156 -1.8179 -1.8179 1.2343 1.2343 2.3554 2.3554 2.4934 2.4934 2.7127 2.7127 3.3082 3.3082 4.0830 4.0830 4.4821 4.4821 5.5090 5.5090 5.6159 5.6159 6.2727 6.2727 6.9069 6.9069 k = 0.0130-0.0441-0.0000 ( 5675 PWs) bands (ev): -22.9795 -22.9795 -22.9768 -22.9768 -7.6906 -7.6906 -7.6605 -7.6605 -6.8985 -6.8985 -6.8362 -6.8362 -6.8200 -6.8200 -6.7485 -6.7485 -6.7342 -6.7342 -5.8018 -5.8018 -2.9123 -2.9123 -1.8143 -1.8143 1.2313 1.2313 2.3861 2.3861 2.5030 2.5030 2.7266 2.7266 3.3474 3.3474 4.0848 4.0848 4.4751 4.4751 5.5025 5.5025 5.5672 5.5672 6.2115 6.2115 6.9626 6.9626 k = 0.0065-0.0220-0.0000 ( 5675 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6904 -7.6904 -7.6601 -7.6601 -6.8994 -6.8994 -6.8361 -6.8361 -6.8216 -6.8216 -6.7469 -6.7469 -6.7356 -6.7356 -5.8059 -5.8059 -2.9103 -2.9103 -1.8121 -1.8121 1.2295 1.2295 2.4034 2.4034 2.5083 2.5083 2.7375 2.7375 3.3727 3.3727 4.0859 4.0859 4.4699 4.4699 5.5003 5.5003 5.5357 5.5357 6.1727 6.1727 7.0057 7.0057 k = 0.0000 0.0000 0.0000 ( 5677 PWs) bands (ev): -22.9797 -22.9797 -22.9769 -22.9769 -7.6904 -7.6904 -7.6600 -7.6600 -6.8998 -6.8998 -6.8361 -6.8361 -6.8222 -6.8222 -6.7463 -6.7463 -6.7361 -6.7361 -5.8073 -5.8073 -2.9097 -2.9097 -1.8114 -1.8114 1.2289 1.2289 2.4089 2.4089 2.5100 2.5100 2.7416 2.7416 3.3815 3.3815 4.0863 4.0863 4.4680 4.4680 5.5010 5.5010 5.5237 5.5237 6.1594 6.1594 7.0247 7.0247 k = 0.0000 0.0000 0.0000 ( 5677 PWs) bands (ev): -22.9797 -22.9797 -22.9769 -22.9769 -7.6904 -7.6904 -7.6600 -7.6600 -6.8998 -6.8998 -6.8361 -6.8361 -6.8222 -6.8222 -6.7463 -6.7463 -6.7361 -6.7361 -5.8073 -5.8073 -2.9097 -2.9097 -1.8114 -1.8114 1.2289 1.2289 2.4089 2.4089 2.5100 2.5100 2.7416 2.7416 3.3815 3.3815 4.0863 4.0863 4.4680 4.4680 5.5010 5.5010 5.5237 5.5237 6.1594 6.1594 7.0247 7.0247 k = 0.0125-0.0193-0.0017 ( 5673 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6904 -7.6904 -7.6601 -7.6601 -6.8996 -6.8996 -6.8373 -6.8373 -6.8205 -6.8205 -6.7469 -6.7469 -6.7355 -6.7355 -5.8060 -5.8060 -2.9103 -2.9103 -1.8121 -1.8121 1.2294 1.2294 2.4033 2.4033 2.5088 2.5088 2.7379 2.7379 3.3734 3.3734 4.0856 4.0856 4.4700 4.4700 5.5005 5.5005 5.5350 5.5350 6.1716 6.1716 7.0073 7.0073 k = 0.0250-0.0387-0.0034 ( 5672 PWs) bands (ev): -22.9795 -22.9795 -22.9768 -22.9768 -7.6906 -7.6906 -7.6605 -7.6605 -6.8992 -6.8992 -6.8398 -6.8398 -6.8164 -6.8164 -6.7485 -6.7485 -6.7337 -6.7337 -5.8021 -5.8021 -2.9120 -2.9120 -1.8141 -1.8141 1.2308 1.2308 2.3865 2.3865 2.5046 2.5046 2.7280 2.7280 3.3500 3.3500 4.0838 4.0838 4.4754 4.4754 5.5031 5.5031 5.5645 5.5645 6.2073 6.2073 6.9672 6.9672 k = 0.0375-0.0580-0.0050 ( 5675 PWs) bands (ev): -22.9794 -22.9794 -22.9767 -22.9767 -7.6909 -7.6909 -7.6611 -7.6611 -6.8985 -6.8985 -6.8423 -6.8423 -6.8114 -6.8114 -6.7509 -6.7509 -6.7307 -6.7307 -5.7955 -5.7955 -2.9151 -2.9151 -1.8176 -1.8176 1.2331 1.2331 2.3575 2.3575 2.4956 2.4956 2.7155 2.7155 3.3136 3.3136 4.0808 4.0808 4.4830 4.4830 5.5104 5.5104 5.6101 5.6101 6.2637 6.2637 6.9151 6.9151 k = 0.0500-0.0773-0.0067 ( 5677 PWs) bands (ev): -22.9792 -22.9792 -22.9765 -22.9765 -7.6913 -7.6913 -7.6619 -7.6619 -6.8976 -6.8976 -6.8447 -6.8447 -6.8064 -6.8064 -6.7539 -6.7539 -6.7260 -6.7260 -5.7864 -5.7864 -2.9194 -2.9194 -1.8226 -1.8226 1.2363 1.2363 2.3154 2.3154 2.4804 2.4804 2.7045 2.7045 3.2675 3.2675 4.0767 4.0767 4.4909 4.4909 5.5217 5.5217 5.6708 5.6708 6.3360 6.3360 6.8563 6.8563 k = 0.0625-0.0967-0.0084 ( 5676 PWs) bands (ev): -22.9789 -22.9789 -22.9763 -22.9763 -7.6919 -7.6919 -7.6630 -7.6630 -6.8965 -6.8965 -6.8466 -6.8466 -6.8021 -6.8021 -6.7574 -6.7574 -6.7191 -6.7191 -5.7747 -5.7747 -2.9250 -2.9250 -1.8291 -1.8291 1.2403 1.2403 2.2601 2.2601 2.4580 2.4580 2.6976 2.6976 3.2160 3.2160 4.0715 4.0715 4.4978 4.4978 5.5367 5.5367 5.7453 5.7453 6.4145 6.4145 6.7991 6.7991 k = 0.0750-0.1160-0.0101 ( 5674 PWs) bands (ev): -22.9786 -22.9786 -22.9760 -22.9760 -7.6926 -7.6926 -7.6642 -7.6642 -6.8952 -6.8952 -6.8482 -6.8482 -6.7990 -6.7990 -6.7615 -6.7615 -6.7095 -6.7095 -5.7603 -5.7603 -2.9321 -2.9321 -1.8374 -1.8374 1.2450 1.2450 2.1929 2.1929 2.4277 2.4277 2.6953 2.6953 3.1634 3.1634 4.0649 4.0649 4.5024 4.5024 5.5546 5.5546 5.8313 5.8313 6.4764 6.4764 6.7644 6.7644 k = 0.0875-0.1354-0.0118 ( 5678 PWs) bands (ev): -22.9783 -22.9783 -22.9756 -22.9756 -7.6934 -7.6934 -7.6657 -7.6657 -6.8937 -6.8937 -6.8495 -6.8495 -6.7972 -6.7972 -6.7661 -6.7661 -6.6968 -6.6968 -5.7434 -5.7434 -2.9407 -2.9407 -1.8475 -1.8475 1.2502 1.2502 2.1161 2.1161 2.3890 2.3890 2.6968 2.6968 3.1139 3.1139 4.0568 4.0568 4.5040 4.5040 5.5750 5.5750 5.9263 5.9263 6.4809 6.4809 6.7906 6.7906 k = 0.1000-0.1547-0.0134 ( 5677 PWs) bands (ev): -22.9779 -22.9779 -22.9753 -22.9753 -7.6943 -7.6943 -7.6674 -7.6674 -6.8920 -6.8920 -6.8507 -6.8507 -6.7969 -6.7969 -6.7712 -6.7712 -6.6809 -6.6809 -5.7238 -5.7238 -2.9510 -2.9510 -1.8596 -1.8596 1.2558 1.2558 2.0328 2.0328 2.3412 2.3412 2.7008 2.7008 3.0709 3.0709 4.0471 4.0471 4.5024 4.5024 5.5974 5.5974 6.0271 6.0271 6.4303 6.4303 6.8702 6.8702 k = 0.1125-0.1740-0.0151 ( 5681 PWs) bands (ev): -22.9774 -22.9774 -22.9748 -22.9748 -7.6954 -7.6954 -7.6694 -7.6694 -6.8903 -6.8903 -6.8517 -6.8517 -6.7977 -6.7977 -6.7766 -6.7766 -6.6621 -6.6621 -5.7017 -5.7017 -2.9631 -2.9631 -1.8740 -1.8740 1.2614 1.2614 1.9458 1.9458 2.2845 2.2845 2.7066 2.7066 3.0365 3.0365 4.0356 4.0356 4.4971 4.4971 5.6210 5.6210 6.1285 6.1285 6.3606 6.3606 6.9555 6.9555 k = 0.1250-0.1934-0.0168 ( 5679 PWs) bands (ev): -22.9769 -22.9769 -22.9744 -22.9744 -7.6966 -7.6966 -7.6715 -7.6715 -6.8885 -6.8885 -6.8527 -6.8527 -6.7994 -6.7994 -6.7823 -6.7823 -6.6404 -6.6404 -5.6771 -5.6771 -2.9772 -2.9772 -1.8907 -1.8907 1.2664 1.2664 1.8579 1.8579 2.2196 2.2196 2.7133 2.7133 3.0113 3.0113 4.0222 4.0222 4.4882 4.4882 5.6447 5.6447 6.2072 6.2072 6.3089 6.3089 6.9992 6.9992 k = 0.1375-0.2127-0.0185 ( 5679 PWs) bands (ev): -22.9764 -22.9764 -22.9739 -22.9739 -7.6979 -7.6979 -7.6738 -7.6738 -6.8866 -6.8866 -6.8538 -6.8538 -6.8018 -6.8018 -6.7879 -6.7879 -6.6161 -6.6161 -5.6498 -5.6498 -2.9935 -2.9935 -1.9101 -1.9101 1.2698 1.2698 1.7718 1.7718 2.1483 2.1483 2.7206 2.7206 2.9946 2.9946 4.0068 4.0068 4.4756 4.4756 5.6669 5.6669 6.1753 6.1753 6.3674 6.3674 6.9841 6.9841 k = 0.1500-0.2320-0.0202 ( 5679 PWs) bands (ev): -22.9758 -22.9758 -22.9733 -22.9733 -7.6994 -7.6994 -7.6763 -7.6763 -6.8849 -6.8849 -6.8551 -6.8551 -6.8049 -6.8049 -6.7933 -6.7933 -6.5894 -6.5894 -5.6201 -5.6201 -3.0120 -3.0120 -1.9323 -1.9323 1.2701 1.2701 1.6905 1.6905 2.0727 2.0727 2.7283 2.7283 2.9851 2.9851 3.9894 3.9894 4.4594 4.4594 5.6853 5.6853 6.1085 6.1085 6.4625 6.4625 6.9407 6.9407 k = 0.1625-0.2514-0.0218 ( 5680 PWs) bands (ev): -22.9752 -22.9752 -22.9728 -22.9728 -7.7010 -7.7010 -7.6789 -7.6789 -6.8833 -6.8833 -6.8567 -6.8567 -6.8089 -6.8089 -6.7979 -6.7979 -6.5602 -6.5602 -5.5878 -5.5878 -3.0330 -3.0330 -1.9577 -1.9577 1.2647 1.2647 1.6177 1.6177 1.9951 1.9951 2.7361 2.7361 2.9808 2.9808 3.9699 3.9699 4.4396 4.4396 5.6960 5.6960 6.0485 6.0485 6.5539 6.5539 6.8922 6.8922 k = 0.1750-0.2707-0.0235 ( 5686 PWs) bands (ev): -22.9745 -22.9745 -22.9722 -22.9722 -7.7027 -7.7027 -7.6818 -7.6818 -6.8821 -6.8821 -6.8586 -6.8586 -6.8138 -6.8138 -6.8012 -6.8012 -6.5287 -6.5287 -5.5530 -5.5530 -3.0566 -3.0566 -1.9864 -1.9864 1.2497 1.2497 1.5580 1.5580 1.9176 1.9176 2.7439 2.7439 2.9800 2.9800 3.9484 3.9484 4.4164 4.4164 5.6936 5.6936 6.0045 6.0045 6.6295 6.6295 6.8538 6.8538 k = 0.1875-0.2900-0.0252 ( 5685 PWs) bands (ev): -22.9739 -22.9739 -22.9716 -22.9716 -7.7046 -7.7046 -7.6848 -7.6848 -6.8814 -6.8814 -6.8607 -6.8607 -6.8193 -6.8193 -6.8033 -6.8033 -6.4950 -6.4950 -5.5156 -5.5156 -3.0830 -3.0830 -2.0186 -2.0186 1.2214 1.2214 1.5157 1.5157 1.8421 1.8421 2.7513 2.7513 2.9813 2.9813 3.9252 3.9252 4.3900 4.3900 5.6745 5.6745 5.9815 5.9815 6.6672 6.6672 6.8495 6.8495 k = 0.2000-0.3094-0.0269 ( 5682 PWs) bands (ev): -22.9732 -22.9732 -22.9709 -22.9709 -7.7066 -7.7066 -7.6879 -7.6879 -6.8815 -6.8815 -6.8631 -6.8631 -6.8247 -6.8247 -6.8046 -6.8046 -6.4592 -6.4592 -5.4758 -5.4758 -3.1123 -3.1123 -2.0547 -2.0547 1.1800 1.1800 1.4909 1.4909 1.7703 1.7703 2.7578 2.7578 2.9832 2.9832 3.9003 3.9003 4.3610 4.3610 5.6409 5.6409 5.9775 5.9775 6.6555 6.6555 6.8908 6.8908 k = 0.2125-0.3287-0.0285 ( 5681 PWs) bands (ev): -22.9724 -22.9724 -22.9703 -22.9703 -7.7088 -7.7088 -7.6912 -7.6912 -6.8828 -6.8828 -6.8656 -6.8656 -6.8295 -6.8295 -6.8052 -6.8052 -6.4213 -6.4213 -5.4336 -5.4336 -3.1446 -3.1446 -2.0946 -2.0946 1.1299 1.1299 1.4789 1.4789 1.7041 1.7041 2.7631 2.7631 2.9847 2.9847 3.8742 3.8742 4.3298 4.3298 5.5997 5.5997 5.9860 5.9860 6.6224 6.6224 6.9500 6.9500 k = 0.2250-0.3481-0.0302 ( 5675 PWs) bands (ev): -22.9717 -22.9717 -22.9696 -22.9696 -7.7110 -7.7110 -7.6946 -7.6946 -6.8853 -6.8853 -6.8685 -6.8685 -6.8333 -6.8333 -6.8052 -6.8052 -6.3814 -6.3814 -5.3888 -5.3888 -3.1801 -3.1801 -2.1387 -2.1387 1.0764 1.0764 1.4727 1.4727 1.6461 1.6461 2.7663 2.7663 2.9847 2.9847 3.8474 3.8474 4.2972 4.2972 5.5568 5.5568 6.0010 6.0010 6.5854 6.5854 7.0089 7.0089 k = 0.2375-0.3674-0.0319 ( 5676 PWs) bands (ev): -22.9710 -22.9710 -22.9689 -22.9689 -7.7134 -7.7134 -7.6981 -7.6981 -6.8888 -6.8888 -6.8720 -6.8720 -6.8357 -6.8357 -6.8048 -6.8048 -6.3395 -6.3395 -5.3417 -5.3417 -3.2187 -3.2187 -2.1869 -2.1869 1.0236 1.0236 1.4649 1.4649 1.6007 1.6007 2.7670 2.7670 2.9826 2.9826 3.8204 3.8204 4.2637 4.2637 5.5158 5.5158 6.0188 6.0188 6.5494 6.5494 7.0614 7.0614 k = 0.2500-0.3867-0.0336 ( 5677 PWs) bands (ev): -22.9702 -22.9702 -22.9682 -22.9682 -7.7159 -7.7159 -7.7017 -7.7017 -6.8930 -6.8930 -6.8765 -6.8765 -6.8365 -6.8365 -6.8040 -6.8040 -6.2959 -6.2959 -5.2921 -5.2921 -3.2604 -3.2604 -2.2393 -2.2393 0.9739 0.9739 1.4476 1.4476 1.5738 1.5738 2.7643 2.7643 2.9777 2.9777 3.7941 3.7941 4.2303 4.2303 5.4788 5.4788 6.0376 6.0376 6.5157 6.5157 7.1049 7.1049 k = 0.2625-0.4061-0.0353 ( 5677 PWs) bands (ev): -22.9695 -22.9695 -22.9676 -22.9676 -7.7184 -7.7184 -7.7054 -7.7054 -6.8977 -6.8977 -6.8817 -6.8817 -6.8362 -6.8362 -6.8029 -6.8029 -6.2505 -6.2505 -5.2402 -5.2402 -3.3053 -3.3053 -2.2958 -2.2958 0.9287 0.9287 1.4198 1.4198 1.5652 1.5652 2.7576 2.7576 2.9695 2.9695 3.7693 3.7693 4.1973 4.1973 5.4468 5.4468 6.0564 6.0564 6.4844 6.4844 7.1372 7.1372 k = 0.2750-0.4254-0.0369 ( 5676 PWs) bands (ev): -22.9688 -22.9688 -22.9669 -22.9669 -7.7211 -7.7211 -7.7091 -7.7091 -6.9026 -6.9026 -6.8873 -6.8873 -6.8350 -6.8350 -6.8017 -6.8017 -6.2034 -6.2034 -5.1860 -5.1860 -3.3531 -3.3531 -2.3565 -2.3565 0.8889 0.8889 1.3881 1.3881 1.5674 1.5674 2.7467 2.7467 2.9576 2.9576 3.7470 3.7470 4.1653 4.1653 5.4205 5.4205 6.0747 6.0747 6.4552 6.4552 7.1570 7.1570 k = 0.2875-0.4447-0.0386 ( 5680 PWs) bands (ev): -22.9680 -22.9680 -22.9662 -22.9662 -7.7238 -7.7238 -7.7128 -7.7128 -6.9076 -6.9076 -6.8932 -6.8932 -6.8332 -6.8332 -6.8003 -6.8003 -6.1549 -6.1549 -5.1294 -5.1294 -3.4038 -3.4038 -2.4210 -2.4210 0.8549 0.8549 1.3580 1.3580 1.5740 1.5740 2.7313 2.7313 2.9415 2.9415 3.7280 3.7280 4.1345 4.1345 5.4002 5.4002 6.0924 6.0924 6.4278 6.4278 7.1632 7.1632 k = 0.3000-0.4641-0.0403 ( 5671 PWs) bands (ev): -22.9673 -22.9673 -22.9656 -22.9656 -7.7265 -7.7265 -7.7166 -7.7166 -6.9126 -6.9126 -6.8992 -6.8992 -6.8311 -6.8311 -6.7988 -6.7988 -6.1049 -6.1049 -5.0705 -5.0705 -3.4572 -3.4572 -2.4894 -2.4894 0.8269 0.8269 1.3321 1.3321 1.5815 1.5815 2.7119 2.7119 2.9211 2.9211 3.7133 3.7133 4.1048 4.1048 5.3862 5.3862 6.1091 6.1091 6.4021 6.4021 7.1559 7.1559 k = 0.3125-0.4834-0.0420 ( 5670 PWs) bands (ev): -22.9666 -22.9666 -22.9649 -22.9649 -7.7293 -7.7293 -7.7203 -7.7203 -6.9175 -6.9175 -6.9050 -6.9050 -6.8287 -6.8287 -6.7972 -6.7972 -6.0537 -6.0537 -5.0094 -5.0094 -3.5129 -3.5129 -2.5612 -2.5612 0.8052 0.8052 1.3111 1.3111 1.5883 1.5883 2.6891 2.6891 2.8962 2.8962 3.7033 3.7033 4.0759 4.0759 5.3787 5.3787 6.1239 6.1239 6.3791 6.3791 7.1361 7.1361 k = 0.3250-0.5027-0.0437 ( 5669 PWs) bands (ev): -22.9659 -22.9659 -22.9643 -22.9643 -7.7320 -7.7320 -7.7240 -7.7240 -6.9223 -6.9223 -6.9107 -6.9107 -6.8263 -6.8263 -6.7957 -6.7957 -6.0014 -6.0014 -4.9461 -4.9461 -3.5706 -3.5706 -2.6363 -2.6363 0.7897 0.7897 1.2954 1.2954 1.5928 1.5928 2.6638 2.6638 2.8672 2.8672 3.6983 3.6983 4.0477 4.0477 5.3777 5.3777 6.1350 6.1350 6.3604 6.3604 7.1053 7.1053 k = 0.3375-0.5221-0.0453 ( 5662 PWs) bands (ev): -22.9652 -22.9652 -22.9637 -22.9637 -7.7347 -7.7347 -7.7276 -7.7276 -6.9268 -6.9268 -6.9161 -6.9161 -6.8238 -6.8238 -6.7941 -6.7941 -5.9483 -5.9483 -4.8806 -4.8806 -3.6299 -3.6299 -2.7143 -2.7143 0.7802 0.7802 1.2849 1.2849 1.5940 1.5940 2.6369 2.6369 2.8349 2.8349 3.6980 3.6980 4.0197 4.0197 5.3832 5.3832 6.1397 6.1397 6.3493 6.3493 7.0654 7.0654 k = 0.3500-0.5414-0.0470 ( 5666 PWs) bands (ev): -22.9646 -22.9646 -22.9632 -22.9632 -7.7374 -7.7374 -7.7311 -7.7311 -6.9311 -6.9311 -6.9212 -6.9212 -6.8213 -6.8213 -6.7926 -6.7926 -5.8946 -5.8946 -4.8131 -4.8131 -3.6905 -3.6905 -2.7949 -2.7949 0.7765 0.7765 1.2794 1.2794 1.5912 1.5912 2.6093 2.6093 2.8004 2.8004 3.7019 3.7019 3.9918 3.9918 5.3951 5.3951 6.1351 6.1351 6.3489 6.3489 7.0183 7.0183 k = 0.3625-0.5608-0.0487 ( 5668 PWs) bands (ev): -22.9640 -22.9640 -22.9627 -22.9627 -7.7400 -7.7400 -7.7344 -7.7344 -6.9351 -6.9351 -6.9260 -6.9260 -6.8189 -6.8189 -6.7911 -6.7911 -5.8407 -5.8407 -4.7435 -4.7435 -3.7517 -3.7517 -2.8777 -2.8777 0.7785 0.7785 1.2784 1.2784 1.5836 1.5836 2.5813 2.5813 2.7656 2.7656 3.7092 3.7092 3.9640 3.9640 5.4131 5.4131 6.1208 6.1208 6.3601 6.3601 6.9655 6.9655 k = 0.3750-0.5801-0.0504 ( 5660 PWs) bands (ev): -22.9635 -22.9635 -22.9622 -22.9622 -7.7424 -7.7424 -7.7376 -7.7376 -6.9387 -6.9387 -6.9304 -6.9304 -6.8166 -6.8166 -6.7898 -6.7898 -5.7869 -5.7869 -4.6719 -4.6719 -3.8130 -3.8130 -2.9625 -2.9625 0.7857 0.7857 1.2815 1.2815 1.5707 1.5707 2.5527 2.5527 2.7324 2.7324 3.7186 3.7186 3.9368 3.9368 5.4367 5.4367 6.0991 6.0991 6.3812 6.3812 6.9086 6.9086 k = 0.3875-0.5994-0.0521 ( 5658 PWs) bands (ev): -22.9629 -22.9629 -22.9617 -22.9617 -7.7448 -7.7448 -7.7406 -7.7406 -6.9421 -6.9421 -6.9345 -6.9345 -6.8144 -6.8144 -6.7885 -6.7885 -5.7337 -5.7337 -4.5984 -4.5984 -3.8737 -3.8737 -3.0488 -3.0488 0.7978 0.7978 1.2879 1.2879 1.5527 1.5527 2.5230 2.5230 2.7034 2.7034 3.7288 3.7288 3.9109 3.9109 5.4653 5.4653 6.0731 6.0731 6.4095 6.4095 6.8487 6.8487 k = 0.4000-0.6188-0.0537 ( 5661 PWs) bands (ev): -22.9625 -22.9625 -22.9613 -22.9613 -7.7469 -7.7469 -7.7433 -7.7433 -6.9451 -6.9451 -6.9382 -6.9382 -6.8123 -6.8123 -6.7873 -6.7873 -5.6817 -5.6817 -4.5232 -4.5232 -3.9329 -3.9329 -3.1363 -3.1363 0.8143 0.8143 1.2970 1.2970 1.5299 1.5299 2.4914 2.4914 2.6805 2.6805 3.7375 3.7375 3.8880 3.8880 5.4979 5.4979 6.0458 6.0458 6.4426 6.4426 6.7872 6.7872 k = 0.4125-0.6381-0.0554 ( 5665 PWs) bands (ev): -22.9620 -22.9620 -22.9610 -22.9610 -7.7489 -7.7489 -7.7458 -7.7458 -6.9477 -6.9477 -6.9415 -6.9415 -6.8105 -6.8105 -6.7863 -6.7863 -5.6316 -5.6316 -4.4463 -4.4463 -3.9898 -3.9898 -3.2247 -3.2247 0.8348 0.8348 1.3077 1.3077 1.5032 1.5032 2.4582 2.4582 2.6645 2.6645 3.7422 3.7422 3.8704 3.8704 5.5335 5.5335 6.0191 6.0191 6.4785 6.4785 6.7254 6.7254 k = 0.4250-0.6574-0.0571 ( 5668 PWs) bands (ev): -22.9617 -22.9617 -22.9606 -22.9606 -7.7506 -7.7506 -7.7481 -7.7481 -6.9500 -6.9500 -6.9443 -6.9443 -6.8088 -6.8088 -6.7854 -6.7854 -5.5843 -5.5843 -4.3679 -4.3679 -4.0433 -4.0433 -3.3136 -3.3136 0.8584 0.8584 1.3186 1.3186 1.4742 1.4742 2.4242 2.4242 2.6549 2.6549 3.7402 3.7402 3.8607 3.8607 5.5706 5.5706 5.9951 5.9951 6.5149 6.5149 6.6657 6.6657 k = 0.4375-0.6768-0.0588 ( 5666 PWs) bands (ev): -22.9613 -22.9613 -22.9604 -22.9604 -7.7521 -7.7521 -7.7500 -7.7500 -6.9519 -6.9519 -6.9468 -6.9468 -6.8074 -6.8074 -6.7846 -6.7846 -5.5409 -5.5409 -4.2884 -4.2884 -4.0919 -4.0919 -3.4026 -3.4026 0.8843 0.8843 1.3273 1.3273 1.4456 1.4456 2.3911 2.3911 2.6505 2.6505 3.7313 3.7313 3.8590 3.8590 5.6072 5.6072 5.9752 5.9752 6.5432 6.5432 6.6164 6.6164 k = 0.4500-0.6961-0.0605 ( 5665 PWs) bands (ev): -22.9611 -22.9611 -22.9601 -22.9601 -7.7534 -7.7534 -7.7517 -7.7517 -6.9535 -6.9535 -6.9488 -6.9488 -6.8062 -6.8062 -6.7839 -6.7839 -5.5025 -5.5025 -4.2096 -4.2096 -4.1329 -4.1329 -3.4913 -3.4913 0.9113 0.9113 1.3299 1.3299 1.4222 1.4222 2.3609 2.3609 2.6496 2.6496 3.7187 3.7187 3.8625 3.8625 5.6411 5.6411 5.9609 5.9609 6.5274 6.5274 6.6139 6.6139 k = 0.4625-0.7154-0.0621 ( 5670 PWs) bands (ev): -22.9609 -22.9609 -22.9600 -22.9600 -7.7543 -7.7543 -7.7530 -7.7530 -6.9547 -6.9547 -6.9504 -6.9504 -6.8053 -6.8053 -6.7834 -6.7834 -5.4705 -5.4705 -4.1776 -4.1776 -4.1190 -4.1190 -3.5791 -3.5791 0.9377 0.9377 1.3220 1.3220 1.4095 1.4095 2.3353 2.3353 2.6507 2.6507 3.7057 3.7057 3.8679 3.8679 5.6696 5.6696 5.9531 5.9531 6.4841 6.4841 6.6418 6.6418 k = 0.4750-0.7348-0.0638 ( 5674 PWs) bands (ev): -22.9607 -22.9607 -22.9598 -22.9598 -7.7550 -7.7550 -7.7539 -7.7539 -6.9555 -6.9555 -6.9515 -6.9515 -6.8046 -6.8046 -6.7831 -6.7831 -5.4464 -5.4464 -4.2013 -4.2013 -4.0414 -4.0414 -3.6644 -3.6644 0.9608 0.9608 1.3062 1.3062 1.4069 1.4069 2.3158 2.3158 2.6526 2.6526 3.6949 3.6949 3.8730 3.8730 5.6905 5.6905 5.9513 5.9513 6.4454 6.4454 6.6684 6.6684 k = 0.4875-0.7541-0.0655 ( 5672 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7554 -7.7554 -7.7545 -7.7545 -6.9560 -6.9560 -6.9522 -6.9522 -6.8042 -6.8042 -6.7829 -6.7829 -5.4313 -5.4313 -4.2175 -4.2175 -3.9666 -3.9666 -3.7425 -3.7425 0.9773 0.9773 1.2918 1.2918 1.4080 1.4080 2.3035 2.3035 2.6540 2.6540 3.6879 3.6879 3.8765 3.8765 5.7030 5.7030 5.9526 5.9526 6.4191 6.4191 6.6868 6.6868 k = 0.5000-0.7735-0.0672 ( 5674 PWs) bands (ev): -22.9606 -22.9606 -22.9597 -22.9597 -7.7556 -7.7556 -7.7547 -7.7547 -6.9562 -6.9562 -6.9525 -6.9525 -6.8041 -6.8041 -6.7828 -6.7828 -5.4262 -5.4262 -4.2231 -4.2231 -3.9248 -3.9248 -3.7853 -3.7853 0.9833 0.9833 1.2861 1.2861 1.4087 1.4087 2.2993 2.2993 2.6546 2.6546 3.6855 3.6855 3.8778 3.8778 5.7070 5.7070 5.9537 5.9537 6.4098 6.4098 6.6934 6.6934 k = 0.5000-0.7735 0.3742 ( 5680 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7579 -7.7579 -7.7537 -7.7537 -6.9613 -6.9613 -6.9513 -6.9513 -6.7958 -6.7958 -6.7933 -6.7933 -5.4095 -5.4095 -4.0989 -4.0989 -4.0727 -4.0727 -3.7777 -3.7777 1.2159 1.2159 1.3054 1.3054 1.6100 1.6100 1.6305 1.6305 2.6554 2.6554 3.8308 3.8308 3.9781 3.9781 5.6232 5.6232 6.1199 6.1199 6.1957 6.1957 6.8154 6.8154 k = 0.4884-0.7555 0.3655 ( 5673 PWs) bands (ev): -22.9606 -22.9606 -22.9598 -22.9598 -7.7577 -7.7577 -7.7536 -7.7536 -6.9611 -6.9611 -6.9511 -6.9511 -6.7960 -6.7960 -6.7934 -6.7934 -5.4137 -5.4137 -4.1038 -4.1038 -4.0821 -4.0821 -3.7579 -3.7579 1.2119 1.2119 1.2985 1.2985 1.5938 1.5938 1.6605 1.6605 2.6549 2.6549 3.8328 3.8328 3.9771 3.9771 5.6257 5.6257 6.1003 6.1003 6.2163 6.2163 6.7994 6.7994 k = 0.4767-0.7375 0.3568 ( 5667 PWs) bands (ev): -22.9607 -22.9607 -22.9598 -22.9598 -7.7573 -7.7573 -7.7532 -7.7532 -6.9607 -6.9607 -6.9506 -6.9506 -6.7964 -6.7964 -6.7935 -6.7935 -5.4260 -5.4260 -4.1450 -4.1450 -4.0741 -4.0741 -3.7088 -3.7088 1.2007 1.2007 1.2790 1.2790 1.5853 1.5853 1.7085 1.7085 2.6533 2.6533 3.8387 3.8387 3.9742 3.9742 5.6327 5.6327 6.0647 6.0647 6.2552 6.2552 6.7598 6.7598 k = 0.4651-0.7195 0.3481 ( 5668 PWs) bands (ev): -22.9608 -22.9608 -22.9600 -22.9600 -7.7565 -7.7565 -7.7525 -7.7525 -6.9599 -6.9599 -6.9497 -6.9497 -6.7971 -6.7971 -6.7937 -6.7937 -5.4459 -5.4459 -4.2042 -4.2042 -4.0528 -4.0528 -3.6448 -3.6448 1.1834 1.1834 1.2510 1.2510 1.5901 1.5901 1.7633 1.7633 2.6513 2.6513 3.8480 3.8480 3.9697 3.9697 5.6438 5.6438 6.0277 6.0277 6.2981 6.2981 6.7092 6.7092 k = 0.4535-0.7015 0.3394 ( 5665 PWs) bands (ev): -22.9610 -22.9610 -22.9601 -22.9601 -7.7555 -7.7555 -7.7516 -7.7516 -6.9588 -6.9588 -6.9485 -6.9485 -6.7980 -6.7980 -6.7941 -6.7941 -5.4726 -5.4726 -4.2695 -4.2695 -4.0233 -4.0233 -3.5738 -3.5738 1.1606 1.1606 1.2201 1.2201 1.6043 1.6043 1.8220 1.8220 2.6495 2.6495 3.8596 3.8596 3.9645 3.9645 5.6577 5.6577 5.9931 5.9931 6.3418 6.3418 6.6550 6.6550 k = 0.4419-0.6835 0.3307 ( 5669 PWs) bands (ev): -22.9612 -22.9612 -22.9603 -22.9603 -7.7542 -7.7542 -7.7505 -7.7505 -6.9574 -6.9574 -6.9469 -6.9469 -6.7992 -6.7992 -6.7946 -6.7946 -5.5051 -5.5051 -4.3372 -4.3372 -3.9872 -3.9872 -3.4991 -3.4991 1.1320 1.1320 1.1919 1.1919 1.6241 1.6241 1.8827 1.8827 2.6490 2.6490 3.8716 3.8716 3.9601 3.9601 5.6722 5.6722 5.9634 5.9634 6.3849 6.3849 6.6013 6.6013 k = 0.4302-0.6655 0.3220 ( 5668 PWs) bands (ev): -22.9615 -22.9615 -22.9606 -22.9606 -7.7526 -7.7526 -7.7491 -7.7491 -6.9557 -6.9557 -6.9450 -6.9450 -6.8005 -6.8005 -6.7953 -6.7953 -5.5424 -5.5424 -4.4056 -4.4056 -3.9456 -3.9456 -3.4225 -3.4225 1.0987 1.0987 1.1692 1.1692 1.6464 1.6464 1.9437 1.9437 2.6512 2.6512 3.8808 3.8808 3.9594 3.9594 5.6839 5.6839 5.9421 5.9421 6.4249 6.4249 6.5517 6.5517 k = 0.4186-0.6475 0.3133 ( 5671 PWs) bands (ev): -22.9618 -22.9618 -22.9608 -22.9608 -7.7508 -7.7508 -7.7474 -7.7474 -6.9537 -6.9537 -6.9427 -6.9427 -6.8020 -6.8020 -6.7961 -6.7961 -5.5836 -5.5836 -4.4738 -4.4738 -3.8996 -3.8996 -3.3448 -3.3448 1.0635 1.0635 1.1517 1.1517 1.6688 1.6688 2.0038 2.0038 2.6572 2.6572 3.8830 3.8830 3.9662 3.9662 5.6887 5.6887 5.9331 5.9331 6.4497 6.4497 6.5190 6.5190 k = 0.4070-0.6296 0.3046 ( 5670 PWs) bands (ev): -22.9622 -22.9622 -22.9612 -22.9612 -7.7487 -7.7487 -7.7456 -7.7456 -6.9513 -6.9513 -6.9401 -6.9401 -6.8036 -6.8036 -6.7970 -6.7970 -5.6277 -5.6277 -4.5413 -4.5413 -3.8502 -3.8502 -3.2668 -3.2668 1.0291 1.0291 1.1386 1.1386 1.6896 1.6896 2.0619 2.0619 2.6686 2.6686 3.8776 3.8776 3.9807 3.9807 5.6835 5.6835 5.9388 5.9388 6.4288 6.4288 6.5341 6.5341 k = 0.3953-0.6116 0.2959 ( 5662 PWs) bands (ev): -22.9626 -22.9626 -22.9615 -22.9615 -7.7465 -7.7465 -7.7435 -7.7435 -6.9487 -6.9487 -6.9372 -6.9372 -6.8054 -6.8054 -6.7981 -6.7981 -5.6741 -5.6741 -4.6078 -4.6078 -3.7984 -3.7984 -3.1887 -3.1887 0.9970 0.9970 1.1296 1.1296 1.7074 1.7074 2.1172 2.1172 2.6865 2.6865 3.8671 3.8671 4.0000 4.0000 5.6693 5.6693 5.9581 5.9581 6.3899 6.3899 6.5698 6.5698 k = 0.3837-0.5936 0.2871 ( 5655 PWs) bands (ev): -22.9630 -22.9630 -22.9619 -22.9619 -7.7442 -7.7442 -7.7412 -7.7412 -6.9458 -6.9458 -6.9339 -6.9339 -6.8073 -6.8073 -6.7993 -6.7993 -5.7221 -5.7221 -4.6732 -4.6732 -3.7449 -3.7449 -3.1111 -3.1111 0.9683 0.9683 1.1249 1.1249 1.7212 1.7212 2.1691 2.1691 2.7115 2.7115 3.8538 3.8538 4.0215 4.0215 5.6494 5.6494 5.9867 5.9867 6.3514 6.3514 6.6080 6.6080 k = 0.3721-0.5756 0.2784 ( 5655 PWs) bands (ev): -22.9635 -22.9635 -22.9623 -22.9623 -7.7417 -7.7417 -7.7387 -7.7387 -6.9426 -6.9426 -6.9304 -6.9304 -6.8093 -6.8093 -6.8006 -6.8006 -5.7712 -5.7712 -4.7373 -4.7373 -3.6904 -3.6904 -3.0341 -3.0341 0.9437 0.9437 1.1245 1.1245 1.7304 1.7304 2.2174 2.2174 2.7439 2.7439 3.8392 3.8392 4.0434 4.0434 5.6274 5.6274 6.0200 6.0200 6.3168 6.3168 6.6461 6.6461 k = 0.3605-0.5576 0.2697 ( 5655 PWs) bands (ev): -22.9640 -22.9640 -22.9628 -22.9628 -7.7392 -7.7392 -7.7360 -7.7360 -6.9391 -6.9391 -6.9265 -6.9265 -6.8114 -6.8114 -6.8020 -6.8020 -5.8208 -5.8208 -4.7999 -4.7999 -3.6357 -3.6357 -2.9582 -2.9582 0.9237 0.9237 1.1287 1.1287 1.7346 1.7346 2.2623 2.2623 2.7830 2.7830 3.8240 3.8240 4.0649 4.0649 5.6059 5.6059 6.0538 6.0538 6.2879 6.2879 6.6841 6.6841 k = 0.3488-0.5396 0.2610 ( 5653 PWs) bands (ev): -22.9646 -22.9646 -22.9633 -22.9633 -7.7366 -7.7366 -7.7331 -7.7331 -6.9354 -6.9354 -6.9223 -6.9223 -6.8136 -6.8136 -6.8035 -6.8035 -5.8707 -5.8707 -4.8610 -4.8610 -3.5812 -3.5812 -2.8835 -2.8835 0.9087 0.9087 1.1376 1.1376 1.7340 1.7340 2.3042 2.3042 2.8276 2.8276 3.8089 3.8089 4.0851 4.0851 5.5867 5.5867 6.0837 6.0837 6.2669 6.2669 6.7222 6.7222 k = 0.3372-0.5216 0.2523 ( 5653 PWs) bands (ev): -22.9652 -22.9652 -22.9638 -22.9638 -7.7340 -7.7340 -7.7300 -7.7300 -6.9315 -6.9315 -6.9179 -6.9179 -6.8157 -6.8157 -6.8050 -6.8050 -5.9205 -5.9205 -4.9205 -4.9205 -3.5275 -3.5275 -2.8103 -2.8103 0.8990 0.8990 1.1517 1.1517 1.7289 1.7289 2.3433 2.3433 2.8761 2.8761 3.7944 3.7944 4.1036 4.1036 5.5710 5.5710 6.1039 6.1039 6.2578 6.2578 6.7610 6.7610 k = 0.3256-0.5036 0.2436 ( 5654 PWs) bands (ev): -22.9658 -22.9658 -22.9644 -22.9644 -7.7314 -7.7314 -7.7268 -7.7268 -6.9274 -6.9274 -6.9132 -6.9132 -6.8179 -6.8179 -6.8065 -6.8065 -5.9699 -5.9699 -4.9783 -4.9783 -3.4751 -3.4751 -2.7390 -2.7390 0.8949 0.8949 1.1709 1.1709 1.7200 1.7200 2.3800 2.3800 2.9267 2.9267 3.7809 3.7809 4.1203 4.1203 5.5600 5.5600 6.1105 6.1105 6.2630 6.2630 6.8010 6.8010 k = 0.3140-0.4857 0.2349 ( 5656 PWs) bands (ev): -22.9664 -22.9664 -22.9649 -22.9649 -7.7288 -7.7288 -7.7234 -7.7234 -6.9231 -6.9231 -6.9083 -6.9083 -6.8199 -6.8199 -6.8081 -6.8081 -6.0187 -6.0187 -5.0344 -5.0344 -3.4243 -3.4243 -2.6696 -2.6696 0.8964 0.8964 1.1955 1.1955 1.7081 1.7081 2.4144 2.4144 2.9776 2.9776 3.7689 3.7689 4.1350 4.1350 5.5543 5.5543 6.1056 6.1056 6.2795 6.2795 6.8423 6.8423 k = 0.3023-0.4677 0.2262 ( 5652 PWs) bands (ev): -22.9671 -22.9671 -22.9655 -22.9655 -7.7262 -7.7262 -7.7200 -7.7200 -6.9187 -6.9187 -6.9032 -6.9032 -6.8219 -6.8219 -6.8096 -6.8096 -6.0667 -6.0667 -5.0888 -5.0888 -3.3754 -3.3754 -2.6024 -2.6024 0.9038 0.9038 1.2255 1.2255 1.6938 1.6938 2.4464 2.4464 3.0271 3.0271 3.7589 3.7589 4.1480 4.1480 5.5545 5.5545 6.0947 6.0947 6.3011 6.3011 6.8847 6.8847 k = 0.2907-0.4497 0.2175 ( 5656 PWs) bands (ev): -22.9677 -22.9677 -22.9661 -22.9661 -7.7237 -7.7237 -7.7166 -7.7166 -6.9143 -6.9143 -6.8980 -6.8980 -6.8237 -6.8237 -6.8111 -6.8111 -6.1138 -6.1138 -5.1413 -5.1413 -3.3288 -3.3288 -2.5377 -2.5377 0.9170 0.9170 1.2610 1.2610 1.6781 1.6781 2.4759 2.4759 3.0734 3.0734 3.7515 3.7515 4.1597 4.1597 5.5609 5.5609 6.0816 6.0816 6.3240 6.3240 6.9273 6.9273 k = 0.2791-0.4317 0.2088 ( 5662 PWs) bands (ev): -22.9684 -22.9684 -22.9668 -22.9668 -7.7212 -7.7212 -7.7131 -7.7131 -6.9100 -6.9100 -6.8928 -6.8928 -6.8252 -6.8252 -6.8124 -6.8124 -6.1598 -6.1598 -5.1921 -5.1921 -3.2846 -3.2846 -2.4755 -2.4755 0.9360 0.9360 1.3019 1.3019 1.6617 1.6617 2.5027 2.5027 3.1150 3.1150 3.7473 3.7473 4.1704 4.1704 5.5736 5.5736 6.0677 6.0677 6.3470 6.3470 6.9684 6.9684 k = 0.2674-0.4137 0.2001 ( 5671 PWs) bands (ev): -22.9691 -22.9691 -22.9674 -22.9674 -7.7187 -7.7187 -7.7096 -7.7096 -6.9058 -6.9058 -6.8876 -6.8876 -6.8263 -6.8263 -6.8136 -6.8136 -6.2046 -6.2046 -5.2410 -5.2410 -3.2432 -3.2432 -2.4161 -2.4161 0.9606 0.9606 1.3479 1.3479 1.6455 1.6455 2.5267 2.5267 3.1503 3.1503 3.7470 3.7470 4.1809 4.1809 5.5928 5.5928 6.0534 6.0534 6.3702 6.3702 7.0060 7.0060 k = 0.2558-0.3957 0.1914 ( 5678 PWs) bands (ev): -22.9698 -22.9698 -22.9680 -22.9680 -7.7164 -7.7164 -7.7062 -7.7062 -6.9018 -6.9018 -6.8826 -6.8826 -6.8270 -6.8270 -6.8145 -6.8145 -6.2481 -6.2481 -5.2881 -5.2881 -3.2045 -3.2045 -2.3595 -2.3595 0.9905 0.9905 1.3986 1.3986 1.6308 1.6308 2.5478 2.5478 3.1779 3.1779 3.7511 3.7511 4.1917 4.1917 5.6181 5.6181 6.0385 6.0385 6.3945 6.3945 7.0373 7.0373 k = 0.2442-0.3777 0.1827 ( 5680 PWs) bands (ev): -22.9705 -22.9705 -22.9686 -22.9686 -7.7140 -7.7140 -7.7028 -7.7028 -6.8982 -6.8982 -6.8778 -6.8778 -6.8270 -6.8270 -6.8151 -6.8151 -6.2901 -6.2901 -5.3332 -5.3332 -3.1687 -3.1687 -2.3059 -2.3059 1.0252 1.0252 1.4525 1.4525 1.6195 1.6195 2.5661 2.5661 3.1972 3.1972 3.7598 3.7598 4.2034 4.2034 5.6494 5.6494 6.0228 6.0228 6.4207 6.4207 7.0593 7.0593 k = 0.2326-0.3597 0.1740 ( 5679 PWs) bands (ev): -22.9712 -22.9712 -22.9693 -22.9693 -7.7118 -7.7118 -7.6994 -7.6994 -6.8951 -6.8951 -6.8734 -6.8734 -6.8263 -6.8263 -6.8153 -6.8153 -6.3307 -6.3307 -5.3764 -5.3764 -3.1358 -3.1358 -2.2553 -2.2553 1.0636 1.0636 1.5055 1.5055 1.6166 1.6166 2.5816 2.5816 3.2079 3.2079 3.7729 3.7729 4.2164 4.2164 5.6863 5.6863 6.0058 6.0058 6.4498 6.4498 7.0691 7.0691 k = 0.2209-0.3418 0.1653 ( 5674 PWs) bands (ev): -22.9719 -22.9719 -22.9699 -22.9699 -7.7097 -7.7097 -7.6960 -7.6960 -6.8926 -6.8926 -6.8694 -6.8694 -6.8249 -6.8249 -6.8149 -6.8149 -6.3697 -6.3697 -5.4176 -5.4176 -3.1058 -3.1058 -2.2078 -2.2078 1.1047 1.1047 1.5443 1.5443 1.6362 1.6362 2.5947 2.5947 3.2104 3.2104 3.7900 3.7900 4.2310 4.2310 5.7278 5.7278 5.9878 5.9878 6.4819 6.4819 7.0641 7.0641 k = 0.2093-0.3238 0.1566 ( 5673 PWs) bands (ev): -22.9726 -22.9726 -22.9705 -22.9705 -7.7077 -7.7077 -7.6928 -7.6928 -6.8908 -6.8908 -6.8660 -6.8660 -6.8229 -6.8229 -6.8137 -6.8137 -6.4071 -6.4071 -5.4569 -5.4569 -3.0786 -3.0786 -2.1633 -2.1633 1.1464 1.1464 1.5607 1.5607 1.6880 1.6880 2.6056 2.6056 3.2058 3.2058 3.8100 3.8100 4.2473 4.2473 5.7722 5.7722 5.9701 5.9701 6.5166 6.5166 7.0429 7.0429 k = 0.1977-0.3058 0.1479 ( 5682 PWs) bands (ev): -22.9732 -22.9732 -22.9711 -22.9711 -7.7058 -7.7058 -7.6897 -7.6897 -6.8897 -6.8897 -6.8632 -6.8632 -6.8205 -6.8205 -6.8115 -6.8115 -6.4429 -6.4429 -5.4942 -5.4942 -3.0541 -3.0541 -2.1218 -2.1218 1.1861 1.1861 1.5721 1.5721 1.7563 1.7563 2.6148 2.6148 3.1954 3.1954 3.8321 3.8321 4.2651 4.2651 5.8148 5.8148 5.9571 5.9571 6.5522 6.5522 7.0066 7.0066 k = 0.1860-0.2878 0.1392 ( 5681 PWs) bands (ev): -22.9739 -22.9739 -22.9717 -22.9717 -7.7040 -7.7040 -7.6866 -7.6866 -6.8893 -6.8893 -6.8610 -6.8610 -6.8179 -6.8179 -6.8083 -6.8083 -6.4768 -6.4768 -5.5294 -5.5294 -3.0322 -3.0322 -2.0833 -2.0833 1.2205 1.2205 1.5906 1.5906 1.8312 1.8312 2.6227 2.6227 3.1807 3.1807 3.8554 3.8554 4.2842 4.2842 5.8412 5.8412 5.9628 5.9628 6.5843 6.5843 6.9600 6.9600 k = 0.1744-0.2698 0.1305 ( 5683 PWs) bands (ev): -22.9745 -22.9745 -22.9723 -22.9723 -7.7023 -7.7023 -7.6837 -7.6837 -6.8893 -6.8893 -6.8592 -6.8592 -6.8152 -6.8152 -6.8042 -6.8042 -6.5090 -6.5090 -5.5627 -5.5627 -3.0128 -3.0128 -2.0478 -2.0478 1.2466 1.2466 1.6212 1.6212 1.9095 1.9095 2.6300 2.6300 3.1632 3.1632 3.8790 3.8790 4.3042 4.3042 5.8381 5.8381 6.0005 6.0005 6.6024 6.6024 6.9151 6.9151 k = 0.1628-0.2518 0.1218 ( 5687 PWs) bands (ev): -22.9751 -22.9751 -22.9728 -22.9728 -7.7007 -7.7007 -7.6809 -7.6809 -6.8898 -6.8898 -6.8579 -6.8579 -6.8124 -6.8124 -6.7994 -6.7994 -6.5393 -6.5393 -5.5939 -5.5939 -2.9958 -2.9958 -2.0152 -2.0152 1.2633 1.2633 1.6653 1.6653 1.9889 1.9889 2.6372 2.6372 3.1446 3.1446 3.9025 3.9025 4.3247 4.3247 5.8169 5.8169 6.0583 6.0583 6.5885 6.5885 6.8913 6.8913 k = 0.1512-0.2338 0.1131 ( 5686 PWs) bands (ev): -22.9757 -22.9757 -22.9733 -22.9733 -7.6993 -7.6993 -7.6782 -7.6782 -6.8906 -6.8906 -6.8569 -6.8569 -6.8096 -6.8096 -6.7943 -6.7943 -6.5678 -6.5678 -5.6230 -5.6230 -2.9808 -2.9808 -1.9853 -1.9853 1.2718 1.2718 1.7215 1.7215 2.0677 2.0677 2.6450 2.6450 3.1266 3.1266 3.9254 3.9254 4.3453 4.3453 5.7888 5.7888 6.1249 6.1249 6.5331 6.5331 6.8987 6.8987 k = 0.1395-0.2158 0.1044 ( 5687 PWs) bands (ev): -22.9763 -22.9763 -22.9738 -22.9738 -7.6979 -7.6979 -7.6757 -7.6757 -6.8916 -6.8916 -6.8560 -6.8560 -6.8069 -6.8069 -6.7890 -6.7890 -6.5942 -6.5942 -5.6501 -5.6501 -2.9678 -2.9678 -1.9581 -1.9581 1.2741 1.2741 1.7870 1.7870 2.1439 2.1439 2.6537 2.6537 3.1111 3.1111 3.9474 3.9474 4.3655 4.3655 5.7578 5.7578 6.1951 6.1951 6.4487 6.4487 6.9231 6.9231 k = 0.1279-0.1979 0.0957 ( 5682 PWs) bands (ev): -22.9768 -22.9768 -22.9743 -22.9743 -7.6967 -7.6967 -7.6734 -7.6734 -6.8926 -6.8926 -6.8553 -6.8553 -6.8043 -6.8043 -6.7836 -6.7836 -6.6186 -6.6186 -5.6750 -5.6750 -2.9566 -2.9566 -1.9336 -1.9336 1.2724 1.2724 1.8588 1.8588 2.2153 2.2153 2.6635 2.6635 3.1005 3.1005 3.9682 3.9682 4.3849 4.3849 5.7256 5.7256 6.2615 6.2615 6.3547 6.3547 6.9408 6.9408 k = 0.1163-0.1799 0.0870 ( 5676 PWs) bands (ev): -22.9773 -22.9773 -22.9747 -22.9747 -7.6956 -7.6956 -7.6711 -7.6711 -6.8937 -6.8937 -6.8546 -6.8546 -6.8022 -6.8022 -6.7784 -6.7784 -6.6409 -6.6409 -5.6978 -5.6978 -2.9469 -2.9469 -1.9115 -1.9115 1.2683 1.2683 1.9341 1.9341 2.2800 2.2800 2.6741 2.6741 3.0973 3.0973 3.9877 3.9877 4.4032 4.4032 5.6931 5.6931 6.2287 6.2287 6.3522 6.3522 6.9262 6.9262 k = 0.1047-0.1619 0.0783 ( 5679 PWs) bands (ev): -22.9777 -22.9777 -22.9751 -22.9751 -7.6946 -7.6946 -7.6691 -7.6691 -6.8948 -6.8948 -6.8538 -6.8538 -6.8006 -6.8006 -6.7734 -6.7734 -6.6609 -6.6609 -5.7185 -5.7185 -2.9388 -2.9388 -1.8918 -1.8918 1.2629 1.2629 2.0103 2.0103 2.3363 2.3363 2.6843 2.6843 3.1041 3.1041 4.0056 4.0056 4.4199 4.4199 5.6612 5.6612 6.1237 6.1237 6.4153 6.4153 6.8721 6.8721 k = 0.0930-0.1439 0.0696 ( 5676 PWs) bands (ev): -22.9781 -22.9781 -22.9755 -22.9755 -7.6937 -7.6937 -7.6673 -7.6673 -6.8958 -6.8958 -6.8528 -6.8528 -6.7998 -6.7998 -6.7687 -6.7687 -6.6785 -6.6785 -5.7371 -5.7371 -2.9319 -2.9319 -1.8745 -1.8745 1.2571 1.2571 2.0852 2.0852 2.3837 2.3837 2.6927 2.6927 3.1228 3.1228 4.0219 4.0219 4.4346 4.4346 5.6305 5.6305 6.0174 6.0174 6.4668 6.4668 6.8062 6.8062 k = 0.0814-0.1259 0.0609 ( 5679 PWs) bands (ev): -22.9785 -22.9785 -22.9758 -22.9758 -7.6929 -7.6929 -7.6656 -7.6656 -6.8968 -6.8968 -6.8515 -6.8515 -6.8000 -6.8000 -6.7643 -6.7643 -6.6937 -6.6937 -5.7535 -5.7535 -2.9261 -2.9261 -1.8594 -1.8594 1.2513 1.2513 2.1562 2.1562 2.4226 2.4226 2.6986 2.6986 3.1532 3.1532 4.0365 4.0365 4.4469 4.4469 5.6015 5.6015 5.9154 5.9154 6.4824 6.4824 6.7672 6.7672 k = 0.0698-0.1079 0.0522 ( 5680 PWs) bands (ev): -22.9788 -22.9788 -22.9761 -22.9761 -7.6922 -7.6922 -7.6642 -7.6642 -6.8976 -6.8976 -6.8500 -6.8500 -6.8014 -6.8014 -6.7603 -6.7603 -6.7062 -6.7062 -5.7677 -5.7677 -2.9214 -2.9214 -1.8465 -1.8465 1.2458 1.2458 2.2209 2.2209 2.4540 2.4540 2.7024 2.7024 3.1927 3.1927 4.0493 4.0493 4.4566 4.4566 5.5750 5.5750 5.8210 5.8210 6.4457 6.4457 6.7790 6.7790 k = 0.0581-0.0899 0.0435 ( 5676 PWs) bands (ev): -22.9790 -22.9790 -22.9763 -22.9763 -7.6917 -7.6917 -7.6629 -7.6629 -6.8983 -6.8983 -6.8481 -6.8481 -6.8039 -6.8039 -6.7567 -6.7567 -6.7162 -6.7162 -5.7798 -5.7798 -2.9176 -2.9176 -1.8356 -1.8356 1.2409 1.2409 2.2772 2.2772 2.4786 2.4786 2.7062 2.7062 3.2373 3.2373 4.0603 4.0603 4.4634 4.4634 5.5515 5.5515 5.7367 5.7367 6.3796 6.3796 6.8229 6.8229 k = 0.0465-0.0719 0.0348 ( 5680 PWs) bands (ev): -22.9793 -22.9793 -22.9766 -22.9766 -7.6912 -7.6912 -7.6619 -7.6619 -6.8988 -6.8988 -6.8458 -6.8458 -6.8076 -6.8076 -6.7535 -6.7535 -6.7237 -6.7237 -5.7897 -5.7897 -2.9147 -2.9147 -1.8268 -1.8268 1.2367 1.2367 2.3237 2.3237 2.4961 2.4961 2.7121 2.7121 3.2819 3.2819 4.0694 4.0694 4.4673 4.4673 5.5316 5.5316 5.6645 5.6645 6.3096 6.3096 6.8758 6.8758 k = 0.0349-0.0540 0.0261 ( 5675 PWs) bands (ev): -22.9794 -22.9794 -22.9767 -22.9767 -7.6908 -7.6908 -7.6611 -7.6611 -6.8992 -6.8992 -6.8431 -6.8431 -6.8120 -6.8120 -6.7508 -6.7508 -6.7292 -6.7292 -5.7974 -5.7974 -2.9124 -2.9124 -1.8200 -1.8200 1.2333 1.2333 2.3602 2.3602 2.5063 2.5063 2.7209 2.7209 3.3222 3.3222 4.0766 4.0766 4.4689 4.4689 5.5161 5.5161 5.6061 5.6061 6.2477 6.2477 6.9277 6.9277 k = 0.0233-0.0360 0.0174 ( 5674 PWs) bands (ev): -22.9796 -22.9796 -22.9768 -22.9768 -7.6906 -7.6906 -7.6605 -7.6605 -6.8995 -6.8995 -6.8402 -6.8402 -6.8166 -6.8166 -6.7485 -6.7485 -6.7330 -6.7330 -5.8029 -5.8029 -2.9109 -2.9109 -1.8152 -1.8152 1.2309 1.2309 2.3867 2.3867 2.5102 2.5102 2.7308 2.7308 3.3540 3.3540 4.0819 4.0819 4.4689 4.4689 5.5058 5.5058 5.5626 5.5626 6.1998 6.1998 6.9737 6.9737 k = 0.0116-0.0180 0.0087 ( 5673 PWs) bands (ev): -22.9796 -22.9796 -22.9769 -22.9769 -7.6904 -7.6904 -7.6601 -7.6601 -6.8997 -6.8997 -6.8374 -6.8374 -6.8205 -6.8205 -6.7469 -6.7469 -6.7353 -6.7353 -5.8062 -5.8062 -2.9100 -2.9100 -1.8123 -1.8123 1.2294 1.2294 2.4032 2.4032 2.5104 2.5104 2.7386 2.7386 3.3745 3.3745 4.0852 4.0852 4.4683 4.4683 5.5013 5.5013 5.5343 5.5343 6.1697 6.1697 7.0093 7.0093 k = 0.0000 0.0000 0.0000 ( 5677 PWs) bands (ev): -22.9797 -22.9797 -22.9769 -22.9769 -7.6904 -7.6904 -7.6600 -7.6600 -6.8998 -6.8998 -6.8361 -6.8361 -6.8222 -6.8222 -6.7463 -6.7463 -6.7361 -6.7361 -5.8073 -5.8073 -2.9097 -2.9097 -1.8114 -1.8114 1.2289 1.2289 2.4089 2.4089 2.5100 2.5100 2.7416 2.7416 3.3815 3.3815 4.0863 4.0863 4.4680 4.4680 5.5010 5.5010 5.5237 5.5237 6.1594 6.1594 7.0247 7.0247 Writing output data file RbSb2.save init_run : 0.64s CPU 0.81s WALL ( 1 calls) electrons : 246.34s CPU 249.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 246.33s CPU 249.09s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 311 calls) cegterg : 220.88s CPU 223.03s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 127.18s CPU 129.35s WALL ( 6231 calls) s_psi : 5.63s CPU 5.69s WALL ( 6231 calls) g_psi : 0.14s CPU 0.13s WALL ( 5571 calls) cdiaghg : 89.17s CPU 89.11s WALL ( 5882 calls) cegterg:over : 8.03s CPU 8.21s WALL ( 5571 calls) cegterg:upda : 4.43s CPU 4.34s WALL ( 5571 calls) cegterg:last : 2.34s CPU 2.48s WALL ( 983 calls) cdiaghg:chol : 3.11s CPU 3.20s WALL ( 5882 calls) cdiaghg:inve : 1.96s CPU 1.97s WALL ( 5882 calls) cdiaghg:para : 5.74s CPU 5.67s WALL ( 11764 calls) Called by h_psi: h_psi:vloc : 113.66s CPU 115.86s WALL ( 6231 calls) h_psi:vnl : 13.41s CPU 13.37s WALL ( 6231 calls) add_vuspsi : 6.99s CPU 6.97s WALL ( 6231 calls) General routines calbec : 6.41s CPU 6.39s WALL ( 6231 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.35s CPU 110.61s WALL ( 641672 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.21s WALL ( 622 calls) Parallel routines fft_scatter : 75.18s CPU 76.71s WALL ( 641695 calls) PWSCF : 4m41.38s CPU 5m 2.69s WALL This run was terminated on: 9: 8: 1 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=