Program PWSCF v.5.1.1 starts on 18Oct2015 at 20:39:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaCu3Te2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 54 15 1736 1302 197 Max 66 55 16 1739 1313 199 Sum 3153 2607 741 83395 62749 9497 bravais-lattice index = 14 lattice parameter (alat) = 15.6889 a.u. unit-cell volume = 847.0190 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.688911 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.867365 celldm(5)= 0.867365 celldm(6)= 0.867365 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.867365 0.497672 0.000000 ) a(3) = ( 0.867365 0.231162 0.440729 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.742844 -1.053905 ) b(2) = ( 0.000000 2.009355 -1.053905 ) b(3) = ( 0.000000 0.000000 2.268969 ) PseudoPot. # 1 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0116279 -0.0202656 -0.0122547), wk = 0.0035336 k( 3) = ( 0.0232558 -0.0405313 -0.0245094), wk = 0.0035336 k( 4) = ( 0.0348837 -0.0607969 -0.0367641), wk = 0.0035336 k( 5) = ( 0.0465116 -0.0810625 -0.0490188), wk = 0.0035336 k( 6) = ( 0.0581395 -0.1013282 -0.0612735), wk = 0.0035336 k( 7) = ( 0.0697674 -0.1215938 -0.0735282), wk = 0.0035336 k( 8) = ( 0.0813954 -0.1418594 -0.0857829), wk = 0.0035336 k( 9) = ( 0.0930233 -0.1621251 -0.0980377), wk = 0.0035336 k( 10) = ( 0.1046512 -0.1823907 -0.1102924), wk = 0.0035336 k( 11) = ( 0.1162791 -0.2026563 -0.1225471), wk = 0.0035336 k( 12) = ( 0.1279070 -0.2229220 -0.1348018), wk = 0.0035336 k( 13) = ( 0.1395349 -0.2431876 -0.1470565), wk = 0.0035336 k( 14) = ( 0.1511628 -0.2634532 -0.1593112), wk = 0.0035336 k( 15) = ( 0.1627907 -0.2837189 -0.1715659), wk = 0.0035336 k( 16) = ( 0.1744186 -0.3039845 -0.1838206), wk = 0.0035336 k( 17) = ( 0.1860465 -0.3242501 -0.1960753), wk = 0.0035336 k( 18) = ( 0.1976744 -0.3445158 -0.2083300), wk = 0.0035336 k( 19) = ( 0.2093023 -0.3647814 -0.2205847), wk = 0.0035336 k( 20) = ( 0.2209302 -0.3850470 -0.2328394), wk = 0.0035336 k( 21) = ( 0.2325581 -0.4053127 -0.2450941), wk = 0.0035336 k( 22) = ( 0.2441860 -0.4255783 -0.2573488), wk = 0.0035336 k( 23) = ( 0.2558140 -0.4458439 -0.2696035), wk = 0.0035336 k( 24) = ( 0.2674419 -0.4661096 -0.2818583), wk = 0.0035336 k( 25) = ( 0.2790698 -0.4863752 -0.2941130), wk = 0.0035336 k( 26) = ( 0.2906977 -0.5066408 -0.3063677), wk = 0.0035336 k( 27) = ( 0.3023256 -0.5269065 -0.3186224), wk = 0.0035336 k( 28) = ( 0.3139535 -0.5471721 -0.3308771), wk = 0.0035336 k( 29) = ( 0.3255814 -0.5674377 -0.3431318), wk = 0.0035336 k( 30) = ( 0.3372093 -0.5877034 -0.3553865), wk = 0.0035336 k( 31) = ( 0.3488372 -0.6079690 -0.3676412), wk = 0.0035336 k( 32) = ( 0.3604651 -0.6282346 -0.3798959), wk = 0.0035336 k( 33) = ( 0.3720930 -0.6485003 -0.3921506), wk = 0.0035336 k( 34) = ( 0.3837209 -0.6687659 -0.4044053), wk = 0.0035336 k( 35) = ( 0.3953488 -0.6890315 -0.4166600), wk = 0.0035336 k( 36) = ( 0.4069767 -0.7092972 -0.4289147), wk = 0.0035336 k( 37) = ( 0.4186047 -0.7295628 -0.4411694), wk = 0.0035336 k( 38) = ( 0.4302326 -0.7498284 -0.4534241), wk = 0.0035336 k( 39) = ( 0.4418605 -0.7700941 -0.4656789), wk = 0.0035336 k( 40) = ( 0.4534884 -0.7903597 -0.4779336), wk = 0.0035336 k( 41) = ( 0.4651163 -0.8106253 -0.4901883), wk = 0.0035336 k( 42) = ( 0.4767442 -0.8308910 -0.5024430), wk = 0.0035336 k( 43) = ( 0.4883721 -0.8511566 -0.5146977), wk = 0.0035336 k( 44) = ( 0.5000000 -0.8714222 -0.5269524), wk = 0.0035336 k( 45) = ( 0.5000000 -0.8714222 -0.5269524), wk = 0.0035336 k( 46) = ( 0.5000000 -0.8578157 -0.5494536), wk = 0.0035336 k( 47) = ( 0.5000000 -0.8442091 -0.5719548), wk = 0.0035336 k( 48) = ( 0.5000000 -0.8306025 -0.5944560), wk = 0.0035336 k( 49) = ( 0.5000000 -0.8169960 -0.6169572), wk = 0.0035336 k( 50) = ( 0.5000000 -0.8033894 -0.6394584), wk = 0.0035336 k( 51) = ( 0.5000000 -0.7897829 -0.6619596), wk = 0.0035336 k( 52) = ( 0.5000000 -0.7761763 -0.6844608), wk = 0.0035336 k( 53) = ( 0.5000000 -0.7625698 -0.7069619), wk = 0.0035336 k( 54) = ( 0.5000000 -0.7489632 -0.7294632), wk = 0.0035336 k( 55) = ( 0.5000000 -0.7353566 -0.7519644), wk = 0.0035336 k( 56) = ( 0.5000000 -0.7217501 -0.7744655), wk = 0.0035336 k( 57) = ( 0.5000000 -0.7081435 -0.7969667), wk = 0.0035336 k( 58) = ( 0.5000000 -0.6945369 -0.8194680), wk = 0.0035336 k( 59) = ( 0.5000000 -0.6809304 -0.8419691), wk = 0.0035336 k( 60) = ( 0.5000000 -0.6673238 -0.8644703), wk = 0.0035336 k( 61) = ( 0.5000000 -0.6537173 -0.8869715), wk = 0.0035336 k( 62) = ( 0.5000000 -0.6401107 -0.9094727), wk = 0.0035336 k( 63) = ( 0.5000000 -0.6265041 -0.9319739), wk = 0.0035336 k( 64) = ( 0.5000000 -0.6128976 -0.9544751), wk = 0.0035336 k( 65) = ( 0.5000000 -0.5992910 -0.9769763), wk = 0.0035336 k( 66) = ( 0.5000000 -0.5856845 -0.9994775), wk = 0.0035336 k( 67) = ( 0.5000000 -0.5720779 -1.0219787), wk = 0.0035336 k( 68) = ( 0.5000000 -0.5584713 -1.0444799), wk = 0.0035336 k( 69) = ( 0.5000000 -0.5448648 -1.0669811), wk = 0.0035336 k( 70) = ( 0.5000000 -0.5312582 -1.0894823), wk = 0.0035336 k( 71) = ( 0.5000000 -0.5176517 -1.1119835), wk = 0.0035336 k( 72) = ( 0.5000000 -0.5040451 -1.1344847), wk = 0.0035336 k( 73) = ( 0.8171666 -0.4195169 -0.9733248), wk = 0.0035336 k( 74) = ( 0.8104184 -0.4077558 -0.9509014), wk = 0.0035336 k( 75) = ( 0.8036702 -0.3959947 -0.9284778), wk = 0.0035336 k( 76) = ( 0.7969219 -0.3842336 -0.9060543), wk = 0.0035336 k( 77) = ( 0.7901737 -0.3724725 -0.8836308), wk = 0.0035336 k( 78) = ( 0.7834255 -0.3607114 -0.8612073), wk = 0.0035336 k( 79) = ( 0.7766773 -0.3489503 -0.8387838), wk = 0.0035336 k( 80) = ( 0.7699290 -0.3371891 -0.8163603), wk = 0.0035336 k( 81) = ( 0.7631808 -0.3254280 -0.7939368), wk = 0.0035336 k( 82) = ( 0.7564326 -0.3136669 -0.7715133), wk = 0.0035336 k( 83) = ( 0.7496844 -0.3019058 -0.7490898), wk = 0.0035336 k( 84) = ( 0.7429361 -0.2901447 -0.7266663), wk = 0.0035336 k( 85) = ( 0.7361879 -0.2783836 -0.7042428), wk = 0.0035336 k( 86) = ( 0.7294397 -0.2666225 -0.6818193), wk = 0.0035336 k( 87) = ( 0.7226915 -0.2548614 -0.6593958), wk = 0.0035336 k( 88) = ( 0.7159432 -0.2431003 -0.6369723), wk = 0.0035336 k( 89) = ( 0.7091950 -0.2313392 -0.6145488), wk = 0.0035336 k( 90) = ( 0.7024468 -0.2195781 -0.5921252), wk = 0.0035336 k( 91) = ( 0.6956986 -0.2078170 -0.5697017), wk = 0.0035336 k( 92) = ( 0.6889503 -0.1960559 -0.5472782), wk = 0.0035336 k( 93) = ( 0.6822021 -0.1842947 -0.5248547), wk = 0.0035336 k( 94) = ( 0.6754539 -0.1725336 -0.5024312), wk = 0.0035336 k( 95) = ( 0.6687057 -0.1607725 -0.4800077), wk = 0.0035336 k( 96) = ( 0.6619574 -0.1490114 -0.4575842), wk = 0.0035336 k( 97) = ( 0.6552092 -0.1372503 -0.4351607), wk = 0.0035336 k( 98) = ( 0.6484610 -0.1254892 -0.4127372), wk = 0.0035336 k( 99) = ( 0.6417128 -0.1137281 -0.3903137), wk = 0.0035336 k( 100) = ( 0.6349645 -0.1019670 -0.3678902), wk = 0.0035336 k( 101) = ( 0.6282163 -0.0902059 -0.3454667), wk = 0.0035336 k( 102) = ( 0.6214681 -0.0784448 -0.3230432), wk = 0.0035336 k( 103) = ( 0.6147198 -0.0666837 -0.3006197), wk = 0.0035336 k( 104) = ( 0.6079716 -0.0549226 -0.2781962), wk = 0.0035336 k( 105) = ( 0.6012234 -0.0431614 -0.2557727), wk = 0.0035336 k( 106) = ( 0.5944752 -0.0314003 -0.2333491), wk = 0.0035336 k( 107) = ( 0.5877269 -0.0196392 -0.2109257), wk = 0.0035336 k( 108) = ( 0.5809787 -0.0078781 -0.1885021), wk = 0.0035336 k( 109) = ( 0.5742305 0.0038830 -0.1660787), wk = 0.0035336 k( 110) = ( 0.5674823 0.0156441 -0.1436551), wk = 0.0035336 k( 111) = ( 0.5607340 0.0274052 -0.1212316), wk = 0.0035336 k( 112) = ( 0.5539858 0.0391663 -0.0988081), wk = 0.0035336 k( 113) = ( 0.5472376 0.0509274 -0.0763846), wk = 0.0035336 k( 114) = ( 0.5404894 0.0626885 -0.0539611), wk = 0.0035336 k( 115) = ( 0.5337411 0.0744496 -0.0315376), wk = 0.0035336 k( 116) = ( 0.5269929 0.0862108 -0.0091141), wk = 0.0035336 k( 117) = ( 0.5202447 0.0979719 0.0133094), wk = 0.0035336 k( 118) = ( 0.5134964 0.1097330 0.0357329), wk = 0.0035336 k( 119) = ( 0.5067482 0.1214941 0.0581564), wk = 0.0035336 k( 120) = ( 0.5000000 0.1332552 0.0805799), wk = 0.0035336 k( 121) = ( 0.5000000 0.1332552 0.0805799), wk = 0.0035336 k( 122) = ( 0.4750000 0.1265924 0.0765509), wk = 0.0035336 k( 123) = ( 0.4500000 0.1199297 0.0725219), wk = 0.0035336 k( 124) = ( 0.4250000 0.1132669 0.0684929), wk = 0.0035336 k( 125) = ( 0.4000000 0.1066041 0.0644639), wk = 0.0035336 k( 126) = ( 0.3750000 0.0999414 0.0604349), wk = 0.0035336 k( 127) = ( 0.3500000 0.0932786 0.0564059), wk = 0.0035336 k( 128) = ( 0.3250000 0.0866159 0.0523770), wk = 0.0035336 k( 129) = ( 0.3000000 0.0799531 0.0483480), wk = 0.0035336 k( 130) = ( 0.2750000 0.0732904 0.0443190), wk = 0.0035336 k( 131) = ( 0.2500000 0.0666276 0.0402900), wk = 0.0035336 k( 132) = ( 0.2250000 0.0599648 0.0362610), wk = 0.0035336 k( 133) = ( 0.2000000 0.0533021 0.0322320), wk = 0.0035336 k( 134) = ( 0.1750000 0.0466393 0.0282030), wk = 0.0035336 k( 135) = ( 0.1500000 0.0399766 0.0241740), wk = 0.0035336 k( 136) = ( 0.1250000 0.0333138 0.0201450), wk = 0.0035336 k( 137) = ( 0.1000000 0.0266510 0.0161160), wk = 0.0035336 k( 138) = ( 0.0750000 0.0199883 0.0120870), wk = 0.0035336 k( 139) = ( 0.0500000 0.0133255 0.0080580), wk = 0.0035336 k( 140) = ( 0.0250000 0.0066628 0.0040290), wk = 0.0035336 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 143) = ( 0.0066944 -0.0116674 -0.0222448), wk = 0.0035336 k( 144) = ( 0.0133889 -0.0233348 -0.0444896), wk = 0.0035336 k( 145) = ( 0.0200833 -0.0350021 -0.0667344), wk = 0.0035336 k( 146) = ( 0.0267778 -0.0466695 -0.0889792), wk = 0.0035336 k( 147) = ( 0.0334722 -0.0583369 -0.1112240), wk = 0.0035336 k( 148) = ( 0.0401667 -0.0700043 -0.1334688), wk = 0.0035336 k( 149) = ( 0.0468611 -0.0816716 -0.1557136), wk = 0.0035336 k( 150) = ( 0.0535556 -0.0933390 -0.1779584), wk = 0.0035336 k( 151) = ( 0.0602500 -0.1050064 -0.2002032), wk = 0.0035336 k( 152) = ( 0.0669445 -0.1166738 -0.2224480), wk = 0.0035336 k( 153) = ( 0.0736389 -0.1283411 -0.2446928), wk = 0.0035336 k( 154) = ( 0.0803333 -0.1400085 -0.2669376), wk = 0.0035336 k( 155) = ( 0.0870278 -0.1516759 -0.2891824), wk = 0.0035336 k( 156) = ( 0.0937222 -0.1633433 -0.3114272), wk = 0.0035336 k( 157) = ( 0.1004167 -0.1750106 -0.3336720), wk = 0.0035336 k( 158) = ( 0.1071111 -0.1866780 -0.3559168), wk = 0.0035336 k( 159) = ( 0.1138056 -0.1983454 -0.3781616), wk = 0.0035336 k( 160) = ( 0.1205000 -0.2100128 -0.4004064), wk = 0.0035336 k( 161) = ( 0.1271944 -0.2216801 -0.4226511), wk = 0.0035336 k( 162) = ( 0.1338889 -0.2333475 -0.4448960), wk = 0.0035336 k( 163) = ( 0.1405833 -0.2450149 -0.4671407), wk = 0.0035336 k( 164) = ( 0.1472778 -0.2566823 -0.4893856), wk = 0.0035336 k( 165) = ( 0.1539722 -0.2683496 -0.5116303), wk = 0.0035336 k( 166) = ( 0.1606667 -0.2800170 -0.5338752), wk = 0.0035336 k( 167) = ( 0.1673611 -0.2916844 -0.5561199), wk = 0.0035336 k( 168) = ( 0.1740556 -0.3033518 -0.5783648), wk = 0.0035336 k( 169) = ( 0.1807500 -0.3150192 -0.6006095), wk = 0.0035336 k( 170) = ( 0.1874445 -0.3266865 -0.6228544), wk = 0.0035336 k( 171) = ( 0.1941389 -0.3383539 -0.6450991), wk = 0.0035336 k( 172) = ( 0.2008333 -0.3500213 -0.6673439), wk = 0.0035336 k( 173) = ( 0.2075278 -0.3616887 -0.6895887), wk = 0.0035336 k( 174) = ( 0.2142222 -0.3733560 -0.7118335), wk = 0.0035336 k( 175) = ( 0.2209167 -0.3850234 -0.7340783), wk = 0.0035336 k( 176) = ( 0.2276111 -0.3966908 -0.7563231), wk = 0.0035336 k( 177) = ( 0.2343056 -0.4083582 -0.7785679), wk = 0.0035336 k( 178) = ( 0.2410000 -0.4200255 -0.8008127), wk = 0.0035336 k( 179) = ( 0.2476945 -0.4316929 -0.8230575), wk = 0.0035336 k( 180) = ( 0.2543889 -0.4433603 -0.8453023), wk = 0.0035336 k( 181) = ( 0.2610833 -0.4550277 -0.8675471), wk = 0.0035336 k( 182) = ( 0.2677778 -0.4666951 -0.8897919), wk = 0.0035336 k( 183) = ( 0.2744722 -0.4783624 -0.9120367), wk = 0.0035336 k( 184) = ( 0.2811667 -0.4900298 -0.9342815), wk = 0.0035336 k( 185) = ( 0.2878611 -0.5016972 -0.9565263), wk = 0.0035336 k( 186) = ( 0.2945556 -0.5133646 -0.9787711), wk = 0.0035336 k( 187) = ( 0.3012500 -0.5250319 -1.0010159), wk = 0.0035336 k( 188) = ( 0.3079445 -0.5366993 -1.0232607), wk = 0.0035336 k( 189) = ( 0.3146389 -0.5483667 -1.0455055), wk = 0.0035336 k( 190) = ( 0.3213334 -0.5600340 -1.0677503), wk = 0.0035336 k( 191) = ( 0.3280278 -0.5717014 -1.0899951), wk = 0.0035336 k( 192) = ( 0.3347222 -0.5833688 -1.1122399), wk = 0.0035336 k( 193) = ( 0.3414167 -0.5950362 -1.1344847), wk = 0.0035336 k( 194) = ( 0.6585833 -0.4617810 -1.0539048), wk = 0.0035336 k( 195) = ( 0.6519757 -0.4369878 -1.0539048), wk = 0.0035336 k( 196) = ( 0.6453680 -0.4121946 -1.0539048), wk = 0.0035336 k( 197) = ( 0.6387604 -0.3874015 -1.0539048), wk = 0.0035336 k( 198) = ( 0.6321528 -0.3626083 -1.0539048), wk = 0.0035336 k( 199) = ( 0.6255451 -0.3378151 -1.0539048), wk = 0.0035336 k( 200) = ( 0.6189375 -0.3130219 -1.0539048), wk = 0.0035336 k( 201) = ( 0.6123298 -0.2882288 -1.0539048), wk = 0.0035336 k( 202) = ( 0.6057222 -0.2634356 -1.0539048), wk = 0.0035336 k( 203) = ( 0.5991146 -0.2386424 -1.0539048), wk = 0.0035336 k( 204) = ( 0.5925069 -0.2138493 -1.0539048), wk = 0.0035336 k( 205) = ( 0.5858993 -0.1890561 -1.0539048), wk = 0.0035336 k( 206) = ( 0.5792917 -0.1642629 -1.0539048), wk = 0.0035336 k( 207) = ( 0.5726840 -0.1394697 -1.0539048), wk = 0.0035336 k( 208) = ( 0.5660764 -0.1146766 -1.0539048), wk = 0.0035336 k( 209) = ( 0.5594687 -0.0898834 -1.0539048), wk = 0.0035336 k( 210) = ( 0.5528611 -0.0650902 -1.0539048), wk = 0.0035336 k( 211) = ( 0.5462535 -0.0402971 -1.0539048), wk = 0.0035336 k( 212) = ( 0.5396458 -0.0155039 -1.0539048), wk = 0.0035336 k( 213) = ( 0.5330382 0.0092893 -1.0539048), wk = 0.0035336 k( 214) = ( 0.5264306 0.0340825 -1.0539048), wk = 0.0035336 k( 215) = ( 0.5198229 0.0588757 -1.0539048), wk = 0.0035336 k( 216) = ( 0.5132153 0.0836688 -1.0539048), wk = 0.0035336 k( 217) = ( 0.5066076 0.1084620 -1.0539048), wk = 0.0035336 k( 218) = ( 0.5000000 0.1332552 -1.0539048), wk = 0.0035336 k( 219) = ( 0.5000000 0.1332552 -1.0539048), wk = 0.0035336 k( 220) = ( 0.5226548 0.1392929 -1.0423934), wk = 0.0035336 k( 221) = ( 0.5453095 0.1453306 -1.0308819), wk = 0.0035336 k( 222) = ( 0.5679643 0.1513684 -1.0193705), wk = 0.0035336 k( 223) = ( 0.5906190 0.1574061 -1.0078591), wk = 0.0035336 k( 224) = ( 0.6132738 0.1634438 -0.9963477), wk = 0.0035336 k( 225) = ( 0.6359286 0.1694816 -0.9848363), wk = 0.0035336 k( 226) = ( 0.6585833 0.1755193 -0.9733248), wk = 0.0035336 k( 227) = ( 0.6585833 0.1755193 -0.9733248), wk = 0.0035336 k( 228) = ( 0.6547154 0.1744884 -0.9476199), wk = 0.0035336 k( 229) = ( 0.6508475 0.1734576 -0.9219149), wk = 0.0035336 k( 230) = ( 0.6469797 0.1724268 -0.8962099), wk = 0.0035336 k( 231) = ( 0.6431118 0.1713960 -0.8705049), wk = 0.0035336 k( 232) = ( 0.6392439 0.1703651 -0.8447999), wk = 0.0035336 k( 233) = ( 0.6353760 0.1693343 -0.8190949), wk = 0.0035336 k( 234) = ( 0.6315081 0.1683035 -0.7933899), wk = 0.0035336 k( 235) = ( 0.6276402 0.1672726 -0.7676849), wk = 0.0035336 k( 236) = ( 0.6237723 0.1662418 -0.7419799), wk = 0.0035336 k( 237) = ( 0.6199045 0.1652110 -0.7162749), wk = 0.0035336 k( 238) = ( 0.6160366 0.1641801 -0.6905699), wk = 0.0035336 k( 239) = ( 0.6121687 0.1631493 -0.6648649), wk = 0.0035336 k( 240) = ( 0.6083008 0.1621185 -0.6391599), wk = 0.0035336 k( 241) = ( 0.6044329 0.1610876 -0.6134549), wk = 0.0035336 k( 242) = ( 0.6005650 0.1600568 -0.5877499), wk = 0.0035336 k( 243) = ( 0.5966971 0.1590260 -0.5620449), wk = 0.0035336 k( 244) = ( 0.5928293 0.1579951 -0.5363400), wk = 0.0035336 k( 245) = ( 0.5889614 0.1569643 -0.5106350), wk = 0.0035336 k( 246) = ( 0.5850935 0.1559335 -0.4849299), wk = 0.0035336 k( 247) = ( 0.5812256 0.1549026 -0.4592250), wk = 0.0035336 k( 248) = ( 0.5773577 0.1538718 -0.4335200), wk = 0.0035336 k( 249) = ( 0.5734898 0.1528410 -0.4078150), wk = 0.0035336 k( 250) = ( 0.5696219 0.1518102 -0.3821100), wk = 0.0035336 k( 251) = ( 0.5657541 0.1507793 -0.3564050), wk = 0.0035336 k( 252) = ( 0.5618862 0.1497485 -0.3307000), wk = 0.0035336 k( 253) = ( 0.5580183 0.1487177 -0.3049950), wk = 0.0035336 k( 254) = ( 0.5541504 0.1476868 -0.2792900), wk = 0.0035336 k( 255) = ( 0.5502825 0.1466560 -0.2535850), wk = 0.0035336 k( 256) = ( 0.5464146 0.1456252 -0.2278800), wk = 0.0035336 k( 257) = ( 0.5425467 0.1445943 -0.2021750), wk = 0.0035336 k( 258) = ( 0.5386789 0.1435635 -0.1764700), wk = 0.0035336 k( 259) = ( 0.5348110 0.1425327 -0.1507650), wk = 0.0035336 k( 260) = ( 0.5309431 0.1415018 -0.1250600), wk = 0.0035336 k( 261) = ( 0.5270752 0.1404710 -0.0993550), wk = 0.0035336 k( 262) = ( 0.5232073 0.1394402 -0.0736500), wk = 0.0035336 k( 263) = ( 0.5193394 0.1384093 -0.0479451), wk = 0.0035336 k( 264) = ( 0.5154715 0.1373785 -0.0222401), wk = 0.0035336 k( 265) = ( 0.5116037 0.1363477 0.0034649), wk = 0.0035336 k( 266) = ( 0.5077358 0.1353168 0.0291699), wk = 0.0035336 k( 267) = ( 0.5038679 0.1342860 0.0548749), wk = 0.0035336 k( 268) = ( 0.5000000 0.1332552 0.0805799), wk = 0.0035336 k( 269) = ( 0.5000000 -0.8714222 -0.5269524), wk = 0.0035336 k( 270) = ( 0.5226548 -0.8619040 -0.5211967), wk = 0.0035336 k( 271) = ( 0.5453095 -0.8523858 -0.5154410), wk = 0.0035336 k( 272) = ( 0.5679643 -0.8428676 -0.5096853), wk = 0.0035336 k( 273) = ( 0.5906190 -0.8333493 -0.5039295), wk = 0.0035336 k( 274) = ( 0.6132738 -0.8238311 -0.4981738), wk = 0.0035336 k( 275) = ( 0.6359286 -0.8143129 -0.4924181), wk = 0.0035336 k( 276) = ( 0.6585833 -0.8047946 -0.4866624), wk = 0.0035336 k( 277) = ( 0.6812381 -0.7952764 -0.4809067), wk = 0.0035336 k( 278) = ( 0.7038928 -0.7857582 -0.4751510), wk = 0.0035336 k( 279) = ( 0.7265476 -0.7762400 -0.4693953), wk = 0.0035336 k( 280) = ( 0.7492024 -0.7667217 -0.4636396), wk = 0.0035336 k( 281) = ( 0.7718571 -0.7572035 -0.4578839), wk = 0.0035336 k( 282) = ( 0.7945119 -0.7476853 -0.4521282), wk = 0.0035336 k( 283) = ( 0.8171666 -0.7381670 -0.4463725), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0348837 -0.0000000 0.0000000), wk = 0.0035336 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0035336 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0697674 -0.0000000 0.0000000), wk = 0.0035336 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0035336 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0035336 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0035336 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1395349 -0.0000000 0.0000000), wk = 0.0035336 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0035336 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0035336 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0035336 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0035336 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0035336 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0035336 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0035336 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0035336 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0035336 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0035336 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0035336 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0035336 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0035336 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0035336 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0035336 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0035336 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0035336 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0035336 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0035336 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0035336 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0035336 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0035336 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0035336 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0035336 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0035336 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 46) = ( 0.5000000 0.0067716 -0.0067716), wk = 0.0035336 k( 47) = ( 0.5000000 0.0135432 -0.0135432), wk = 0.0035336 k( 48) = ( 0.5000000 0.0203148 -0.0203148), wk = 0.0035336 k( 49) = ( 0.5000000 0.0270864 -0.0270864), wk = 0.0035336 k( 50) = ( 0.5000000 0.0338580 -0.0338580), wk = 0.0035336 k( 51) = ( 0.5000000 0.0406296 -0.0406296), wk = 0.0035336 k( 52) = ( 0.5000000 0.0474012 -0.0474013), wk = 0.0035336 k( 53) = ( 0.5000000 0.0541728 -0.0541729), wk = 0.0035336 k( 54) = ( 0.5000000 0.0609445 -0.0609445), wk = 0.0035336 k( 55) = ( 0.5000000 0.0677161 -0.0677161), wk = 0.0035336 k( 56) = ( 0.5000000 0.0744877 -0.0744877), wk = 0.0035336 k( 57) = ( 0.5000000 0.0812593 -0.0812593), wk = 0.0035336 k( 58) = ( 0.5000000 0.0880309 -0.0880309), wk = 0.0035336 k( 59) = ( 0.5000000 0.0948025 -0.0948025), wk = 0.0035336 k( 60) = ( 0.5000000 0.1015741 -0.1015741), wk = 0.0035336 k( 61) = ( 0.5000000 0.1083457 -0.1083457), wk = 0.0035336 k( 62) = ( 0.5000000 0.1151173 -0.1151173), wk = 0.0035336 k( 63) = ( 0.5000000 0.1218889 -0.1218889), wk = 0.0035336 k( 64) = ( 0.5000000 0.1286605 -0.1286605), wk = 0.0035336 k( 65) = ( 0.5000000 0.1354321 -0.1354321), wk = 0.0035336 k( 66) = ( 0.5000000 0.1422037 -0.1422037), wk = 0.0035336 k( 67) = ( 0.5000000 0.1489753 -0.1489754), wk = 0.0035336 k( 68) = ( 0.5000000 0.1557469 -0.1557470), wk = 0.0035336 k( 69) = ( 0.5000000 0.1625186 -0.1625186), wk = 0.0035336 k( 70) = ( 0.5000000 0.1692902 -0.1692902), wk = 0.0035336 k( 71) = ( 0.5000000 0.1760618 -0.1760618), wk = 0.0035336 k( 72) = ( 0.5000000 0.1828334 -0.1828334), wk = 0.0035336 k( 73) = ( 0.8171666 0.5000000 0.1828334), wk = 0.0035336 k( 74) = ( 0.8104184 0.5000000 0.1895816), wk = 0.0035336 k( 75) = ( 0.8036702 0.5000000 0.1963298), wk = 0.0035336 k( 76) = ( 0.7969219 0.5000000 0.2030781), wk = 0.0035336 k( 77) = ( 0.7901737 0.5000000 0.2098263), wk = 0.0035336 k( 78) = ( 0.7834255 0.5000000 0.2165745), wk = 0.0035336 k( 79) = ( 0.7766773 0.5000000 0.2233227), wk = 0.0035336 k( 80) = ( 0.7699290 0.5000000 0.2300710), wk = 0.0035336 k( 81) = ( 0.7631808 0.5000000 0.2368192), wk = 0.0035336 k( 82) = ( 0.7564326 0.5000000 0.2435674), wk = 0.0035336 k( 83) = ( 0.7496844 0.5000000 0.2503156), wk = 0.0035336 k( 84) = ( 0.7429361 0.5000000 0.2570639), wk = 0.0035336 k( 85) = ( 0.7361879 0.5000000 0.2638121), wk = 0.0035336 k( 86) = ( 0.7294397 0.5000000 0.2705603), wk = 0.0035336 k( 87) = ( 0.7226915 0.5000000 0.2773085), wk = 0.0035336 k( 88) = ( 0.7159432 0.5000000 0.2840568), wk = 0.0035336 k( 89) = ( 0.7091950 0.5000000 0.2908050), wk = 0.0035336 k( 90) = ( 0.7024468 0.5000000 0.2975532), wk = 0.0035336 k( 91) = ( 0.6956986 0.5000000 0.3043014), wk = 0.0035336 k( 92) = ( 0.6889503 0.5000000 0.3110497), wk = 0.0035336 k( 93) = ( 0.6822021 0.5000000 0.3177979), wk = 0.0035336 k( 94) = ( 0.6754539 0.5000000 0.3245461), wk = 0.0035336 k( 95) = ( 0.6687057 0.5000000 0.3312943), wk = 0.0035336 k( 96) = ( 0.6619574 0.5000000 0.3380426), wk = 0.0035336 k( 97) = ( 0.6552092 0.5000000 0.3447908), wk = 0.0035336 k( 98) = ( 0.6484610 0.5000000 0.3515390), wk = 0.0035336 k( 99) = ( 0.6417128 0.5000000 0.3582872), wk = 0.0035336 k( 100) = ( 0.6349645 0.5000000 0.3650355), wk = 0.0035336 k( 101) = ( 0.6282163 0.5000000 0.3717837), wk = 0.0035336 k( 102) = ( 0.6214681 0.5000000 0.3785319), wk = 0.0035336 k( 103) = ( 0.6147198 0.5000000 0.3852802), wk = 0.0035336 k( 104) = ( 0.6079716 0.5000000 0.3920284), wk = 0.0035336 k( 105) = ( 0.6012234 0.5000000 0.3987766), wk = 0.0035336 k( 106) = ( 0.5944752 0.5000000 0.4055248), wk = 0.0035336 k( 107) = ( 0.5877269 0.5000000 0.4122731), wk = 0.0035336 k( 108) = ( 0.5809787 0.5000000 0.4190213), wk = 0.0035336 k( 109) = ( 0.5742305 0.5000000 0.4257695), wk = 0.0035336 k( 110) = ( 0.5674823 0.5000000 0.4325177), wk = 0.0035336 k( 111) = ( 0.5607340 0.5000000 0.4392660), wk = 0.0035336 k( 112) = ( 0.5539858 0.5000000 0.4460142), wk = 0.0035336 k( 113) = ( 0.5472376 0.5000000 0.4527624), wk = 0.0035336 k( 114) = ( 0.5404894 0.5000000 0.4595106), wk = 0.0035336 k( 115) = ( 0.5337411 0.5000000 0.4662589), wk = 0.0035336 k( 116) = ( 0.5269929 0.5000000 0.4730071), wk = 0.0035336 k( 117) = ( 0.5202447 0.5000000 0.4797553), wk = 0.0035336 k( 118) = ( 0.5134964 0.5000000 0.4865036), wk = 0.0035336 k( 119) = ( 0.5067482 0.5000000 0.4932518), wk = 0.0035336 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 122) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0035336 k( 123) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0035336 k( 124) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0035336 k( 125) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0035336 k( 126) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035336 k( 127) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0035336 k( 128) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0035336 k( 129) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0035336 k( 130) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0035336 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035336 k( 132) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0035336 k( 133) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0035336 k( 134) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0035336 k( 135) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0035336 k( 136) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035336 k( 137) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0035336 k( 138) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0035336 k( 139) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0035336 k( 140) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0035336 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 143) = ( 0.0066944 -0.0000000 -0.0066944), wk = 0.0035336 k( 144) = ( 0.0133889 -0.0000000 -0.0133889), wk = 0.0035336 k( 145) = ( 0.0200833 0.0000000 -0.0200833), wk = 0.0035336 k( 146) = ( 0.0267778 -0.0000000 -0.0267778), wk = 0.0035336 k( 147) = ( 0.0334722 -0.0000000 -0.0334722), wk = 0.0035336 k( 148) = ( 0.0401667 -0.0000000 -0.0401667), wk = 0.0035336 k( 149) = ( 0.0468611 -0.0000000 -0.0468611), wk = 0.0035336 k( 150) = ( 0.0535556 -0.0000000 -0.0535556), wk = 0.0035336 k( 151) = ( 0.0602500 -0.0000000 -0.0602500), wk = 0.0035336 k( 152) = ( 0.0669445 -0.0000000 -0.0669445), wk = 0.0035336 k( 153) = ( 0.0736389 -0.0000000 -0.0736389), wk = 0.0035336 k( 154) = ( 0.0803333 -0.0000000 -0.0803333), wk = 0.0035336 k( 155) = ( 0.0870278 -0.0000000 -0.0870278), wk = 0.0035336 k( 156) = ( 0.0937222 -0.0000000 -0.0937222), wk = 0.0035336 k( 157) = ( 0.1004167 -0.0000000 -0.1004167), wk = 0.0035336 k( 158) = ( 0.1071111 -0.0000000 -0.1071111), wk = 0.0035336 k( 159) = ( 0.1138056 -0.0000000 -0.1138056), wk = 0.0035336 k( 160) = ( 0.1205000 -0.0000000 -0.1205000), wk = 0.0035336 k( 161) = ( 0.1271944 -0.0000000 -0.1271945), wk = 0.0035336 k( 162) = ( 0.1338889 -0.0000000 -0.1338889), wk = 0.0035336 k( 163) = ( 0.1405833 -0.0000000 -0.1405833), wk = 0.0035336 k( 164) = ( 0.1472778 -0.0000000 -0.1472778), wk = 0.0035336 k( 165) = ( 0.1539722 -0.0000000 -0.1539722), wk = 0.0035336 k( 166) = ( 0.1606667 -0.0000000 -0.1606667), wk = 0.0035336 k( 167) = ( 0.1673611 -0.0000000 -0.1673611), wk = 0.0035336 k( 168) = ( 0.1740556 -0.0000000 -0.1740556), wk = 0.0035336 k( 169) = ( 0.1807500 -0.0000000 -0.1807500), wk = 0.0035336 k( 170) = ( 0.1874445 -0.0000000 -0.1874445), wk = 0.0035336 k( 171) = ( 0.1941389 -0.0000000 -0.1941389), wk = 0.0035336 k( 172) = ( 0.2008333 -0.0000000 -0.2008334), wk = 0.0035336 k( 173) = ( 0.2075278 -0.0000000 -0.2075278), wk = 0.0035336 k( 174) = ( 0.2142222 -0.0000000 -0.2142222), wk = 0.0035336 k( 175) = ( 0.2209167 -0.0000000 -0.2209167), wk = 0.0035336 k( 176) = ( 0.2276111 -0.0000000 -0.2276111), wk = 0.0035336 k( 177) = ( 0.2343056 -0.0000000 -0.2343056), wk = 0.0035336 k( 178) = ( 0.2410000 -0.0000000 -0.2410000), wk = 0.0035336 k( 179) = ( 0.2476945 -0.0000000 -0.2476945), wk = 0.0035336 k( 180) = ( 0.2543889 -0.0000000 -0.2543889), wk = 0.0035336 k( 181) = ( 0.2610833 -0.0000000 -0.2610833), wk = 0.0035336 k( 182) = ( 0.2677778 -0.0000000 -0.2677778), wk = 0.0035336 k( 183) = ( 0.2744722 -0.0000000 -0.2744722), wk = 0.0035336 k( 184) = ( 0.2811667 -0.0000000 -0.2811667), wk = 0.0035336 k( 185) = ( 0.2878611 -0.0000000 -0.2878611), wk = 0.0035336 k( 186) = ( 0.2945556 -0.0000000 -0.2945556), wk = 0.0035336 k( 187) = ( 0.3012500 -0.0000000 -0.3012500), wk = 0.0035336 k( 188) = ( 0.3079445 -0.0000000 -0.3079445), wk = 0.0035336 k( 189) = ( 0.3146389 0.0000000 -0.3146389), wk = 0.0035336 k( 190) = ( 0.3213334 0.0000000 -0.3213334), wk = 0.0035336 k( 191) = ( 0.3280278 -0.0000000 -0.3280278), wk = 0.0035336 k( 192) = ( 0.3347222 -0.0000000 -0.3347222), wk = 0.0035336 k( 193) = ( 0.3414167 0.0000000 -0.3414167), wk = 0.0035336 k( 194) = ( 0.6585833 0.3414167 -0.0000000), wk = 0.0035336 k( 195) = ( 0.6519757 0.3480243 -0.0000000), wk = 0.0035336 k( 196) = ( 0.6453680 0.3546320 -0.0000000), wk = 0.0035336 k( 197) = ( 0.6387604 0.3612396 -0.0000000), wk = 0.0035336 k( 198) = ( 0.6321528 0.3678472 -0.0000000), wk = 0.0035336 k( 199) = ( 0.6255451 0.3744549 -0.0000000), wk = 0.0035336 k( 200) = ( 0.6189375 0.3810625 0.0000000), wk = 0.0035336 k( 201) = ( 0.6123298 0.3876701 -0.0000000), wk = 0.0035336 k( 202) = ( 0.6057222 0.3942778 -0.0000000), wk = 0.0035336 k( 203) = ( 0.5991146 0.4008854 -0.0000000), wk = 0.0035336 k( 204) = ( 0.5925069 0.4074931 -0.0000000), wk = 0.0035336 k( 205) = ( 0.5858993 0.4141007 0.0000000), wk = 0.0035336 k( 206) = ( 0.5792917 0.4207083 0.0000000), wk = 0.0035336 k( 207) = ( 0.5726840 0.4273160 0.0000000), wk = 0.0035336 k( 208) = ( 0.5660764 0.4339236 -0.0000000), wk = 0.0035336 k( 209) = ( 0.5594687 0.4405313 -0.0000000), wk = 0.0035336 k( 210) = ( 0.5528611 0.4471389 -0.0000000), wk = 0.0035336 k( 211) = ( 0.5462535 0.4537465 -0.0000000), wk = 0.0035336 k( 212) = ( 0.5396458 0.4603542 0.0000000), wk = 0.0035336 k( 213) = ( 0.5330382 0.4669618 0.0000000), wk = 0.0035336 k( 214) = ( 0.5264306 0.4735694 -0.0000000), wk = 0.0035336 k( 215) = ( 0.5198229 0.4801771 -0.0000000), wk = 0.0035336 k( 216) = ( 0.5132153 0.4867847 -0.0000000), wk = 0.0035336 k( 217) = ( 0.5066076 0.4933924 -0.0000000), wk = 0.0035336 k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035336 k( 220) = ( 0.5226548 0.5226548 0.0261190), wk = 0.0035336 k( 221) = ( 0.5453095 0.5453095 0.0522381), wk = 0.0035336 k( 222) = ( 0.5679643 0.5679643 0.0783572), wk = 0.0035336 k( 223) = ( 0.5906190 0.5906190 0.1044762), wk = 0.0035336 k( 224) = ( 0.6132738 0.6132738 0.1305953), wk = 0.0035336 k( 225) = ( 0.6359286 0.6359286 0.1567143), wk = 0.0035336 k( 226) = ( 0.6585833 0.6585833 0.1828334), wk = 0.0035336 k( 227) = ( 0.6585833 0.6585833 0.1828334), wk = 0.0035336 k( 228) = ( 0.6547154 0.6547154 0.1905692), wk = 0.0035336 k( 229) = ( 0.6508475 0.6508475 0.1983049), wk = 0.0035336 k( 230) = ( 0.6469797 0.6469797 0.2060407), wk = 0.0035336 k( 231) = ( 0.6431118 0.6431118 0.2137765), wk = 0.0035336 k( 232) = ( 0.6392439 0.6392439 0.2215122), wk = 0.0035336 k( 233) = ( 0.6353760 0.6353760 0.2292480), wk = 0.0035336 k( 234) = ( 0.6315081 0.6315081 0.2369838), wk = 0.0035336 k( 235) = ( 0.6276402 0.6276402 0.2447196), wk = 0.0035336 k( 236) = ( 0.6237723 0.6237723 0.2524553), wk = 0.0035336 k( 237) = ( 0.6199045 0.6199044 0.2601911), wk = 0.0035336 k( 238) = ( 0.6160366 0.6160366 0.2679269), wk = 0.0035336 k( 239) = ( 0.6121687 0.6121687 0.2756626), wk = 0.0035336 k( 240) = ( 0.6083008 0.6083008 0.2833984), wk = 0.0035336 k( 241) = ( 0.6044329 0.6044329 0.2911342), wk = 0.0035336 k( 242) = ( 0.6005650 0.6005650 0.2988699), wk = 0.0035336 k( 243) = ( 0.5966971 0.5966971 0.3066057), wk = 0.0035336 k( 244) = ( 0.5928293 0.5928293 0.3143415), wk = 0.0035336 k( 245) = ( 0.5889614 0.5889614 0.3220773), wk = 0.0035336 k( 246) = ( 0.5850935 0.5850935 0.3298130), wk = 0.0035336 k( 247) = ( 0.5812256 0.5812256 0.3375488), wk = 0.0035336 k( 248) = ( 0.5773577 0.5773577 0.3452846), wk = 0.0035336 k( 249) = ( 0.5734898 0.5734898 0.3530203), wk = 0.0035336 k( 250) = ( 0.5696219 0.5696219 0.3607561), wk = 0.0035336 k( 251) = ( 0.5657541 0.5657541 0.3684919), wk = 0.0035336 k( 252) = ( 0.5618862 0.5618862 0.3762277), wk = 0.0035336 k( 253) = ( 0.5580183 0.5580183 0.3839634), wk = 0.0035336 k( 254) = ( 0.5541504 0.5541504 0.3916992), wk = 0.0035336 k( 255) = ( 0.5502825 0.5502825 0.3994350), wk = 0.0035336 k( 256) = ( 0.5464146 0.5464146 0.4071707), wk = 0.0035336 k( 257) = ( 0.5425467 0.5425467 0.4149065), wk = 0.0035336 k( 258) = ( 0.5386789 0.5386789 0.4226423), wk = 0.0035336 k( 259) = ( 0.5348110 0.5348110 0.4303781), wk = 0.0035336 k( 260) = ( 0.5309431 0.5309431 0.4381138), wk = 0.0035336 k( 261) = ( 0.5270752 0.5270752 0.4458496), wk = 0.0035336 k( 262) = ( 0.5232073 0.5232073 0.4535854), wk = 0.0035336 k( 263) = ( 0.5193394 0.5193394 0.4613211), wk = 0.0035336 k( 264) = ( 0.5154715 0.5154715 0.4690569), wk = 0.0035336 k( 265) = ( 0.5116037 0.5116037 0.4767927), wk = 0.0035336 k( 266) = ( 0.5077358 0.5077358 0.4845285), wk = 0.0035336 k( 267) = ( 0.5038679 0.5038679 0.4922642), wk = 0.0035336 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035336 k( 269) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 270) = ( 0.5226548 0.0243869 0.0243869), wk = 0.0035336 k( 271) = ( 0.5453095 0.0487738 0.0487738), wk = 0.0035336 k( 272) = ( 0.5679643 0.0731607 0.0731607), wk = 0.0035336 k( 273) = ( 0.5906190 0.0975476 0.0975476), wk = 0.0035336 k( 274) = ( 0.6132738 0.1219345 0.1219345), wk = 0.0035336 k( 275) = ( 0.6359286 0.1463214 0.1463214), wk = 0.0035336 k( 276) = ( 0.6585833 0.1707083 0.1707083), wk = 0.0035336 k( 277) = ( 0.6812381 0.1950952 0.1950953), wk = 0.0035336 k( 278) = ( 0.7038928 0.2194822 0.2194822), wk = 0.0035336 k( 279) = ( 0.7265476 0.2438691 0.2438691), wk = 0.0035336 k( 280) = ( 0.7492024 0.2682560 0.2682560), wk = 0.0035336 k( 281) = ( 0.7718571 0.2926429 0.2926429), wk = 0.0035336 k( 282) = ( 0.7945119 0.3170298 0.3170298), wk = 0.0035336 k( 283) = ( 0.8171666 0.3414167 0.3414167), wk = 0.0035336 Dense grid: 83395 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 62749 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 332, 64) NL pseudopotentials 0.37 Mb ( 166, 148) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.01 Mb ( 1738) G-vector shells 0.01 Mb ( 1492) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 332, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.29 Mb ( 148, 2, 64) The potential is recalculated from file : ./NaCu3Te2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.1 secs Computing kpt #: 2 total cpu time spent up to now is 49.0 secs Computing kpt #: 3 total cpu time spent up to now is 53.0 secs Computing kpt #: 4 total cpu time spent up to now is 57.0 secs Computing kpt #: 5 total cpu time spent up to now is 61.7 secs Computing kpt #: 6 total cpu time spent up to now is 66.1 secs Computing kpt #: 7 total cpu time spent up to now is 70.7 secs Computing kpt #: 8 total cpu time spent up to now is 75.4 secs Computing kpt #: 9 total cpu time spent up to now is 80.0 secs Computing kpt #: 10 total cpu time spent up to now is 84.7 secs Computing kpt #: 11 total cpu time spent up to now is 89.4 secs Computing kpt #: 12 total cpu time spent up to now is 94.3 secs Computing kpt #: 13 total cpu time spent up to now is 99.3 secs Computing kpt #: 14 total cpu time spent up to now is 103.9 secs Computing kpt #: 15 total cpu time spent up to now is 108.6 secs Computing kpt #: 16 total cpu time spent up to now is 113.3 secs Computing kpt #: 17 total cpu time spent up to now is 118.0 secs Computing kpt #: 18 total cpu time spent up to now is 122.9 secs Computing kpt #: 19 total cpu time spent up to now is 128.8 secs Computing kpt #: 20 total cpu time spent up to now is 133.7 secs Computing kpt #: 21 total cpu time spent up to now is 138.6 secs Computing kpt #: 22 total cpu time spent up to now is 143.6 secs Computing kpt #: 23 total cpu time spent up to now is 148.8 secs Computing kpt #: 24 total cpu time spent up to now is 154.0 secs Computing kpt #: 25 total cpu time spent up to now is 159.5 secs Computing kpt #: 26 total cpu time spent up to now is 164.7 secs Computing kpt #: 27 total cpu time spent up to now is 169.9 secs Computing kpt #: 28 total cpu time spent up to now is 174.9 secs Computing kpt #: 29 total cpu time spent up to now is 179.8 secs Computing kpt #: 30 total cpu time spent up to now is 184.5 secs Computing kpt #: 31 total cpu time spent up to now is 189.3 secs Computing kpt #: 32 total cpu time spent up to now is 194.0 secs Computing kpt #: 33 total cpu time spent up to now is 198.8 secs Computing kpt #: 34 total cpu time spent up to now is 203.4 secs Computing kpt #: 35 total cpu time spent up to now is 208.0 secs Computing kpt #: 36 total cpu time spent up to now is 212.9 secs Computing kpt #: 37 total cpu time spent up to now is 217.8 secs Computing kpt #: 38 total cpu time spent up to now is 222.7 secs Computing kpt #: 39 total cpu time spent up to now is 227.5 secs Computing kpt #: 40 total cpu time spent up to now is 232.2 secs Computing kpt #: 41 total cpu time spent up to now is 237.0 secs Computing kpt #: 42 total cpu time spent up to now is 241.7 secs Computing kpt #: 43 total cpu time spent up to now is 246.7 secs Computing kpt #: 44 total cpu time spent up to now is 251.4 secs Computing kpt #: 45 total cpu time spent up to now is 256.2 secs Computing kpt #: 46 total cpu time spent up to now is 261.0 secs Computing kpt #: 47 total cpu time spent up to now is 265.7 secs Computing kpt #: 48 total cpu time spent up to now is 270.5 secs Computing kpt #: 49 total cpu time spent up to now is 275.3 secs Computing kpt #: 50 total cpu time spent up to now is 280.9 secs Computing kpt #: 51 total cpu time spent up to now is 285.5 secs Computing kpt #: 52 total cpu time spent up to now is 290.2 secs Computing kpt #: 53 total cpu time spent up to now is 294.4 secs Computing kpt #: 54 total cpu time spent up to now is 299.0 secs Computing kpt #: 55 total cpu time spent up to now is 303.9 secs Computing kpt #: 56 total cpu time spent up to now is 308.5 secs Computing kpt #: 57 total cpu time spent up to now is 313.1 secs Computing kpt #: 58 total cpu time spent up to now is 317.7 secs Computing kpt #: 59 total cpu time spent up to now is 322.5 secs Computing kpt #: 60 total cpu time spent up to now is 327.2 secs Computing kpt #: 61 total cpu time spent up to now is 332.0 secs Computing kpt #: 62 total cpu time spent up to now is 336.9 secs Computing kpt #: 63 total cpu time spent up to now is 341.8 secs Computing kpt #: 64 total cpu time spent up to now is 346.4 secs Computing kpt #: 65 total cpu time spent up to now is 351.0 secs Computing kpt #: 66 total cpu time spent up to now is 355.8 secs Computing kpt #: 67 total cpu time spent up to now is 360.5 secs Computing kpt #: 68 total cpu time spent up to now is 365.6 secs Computing kpt #: 69 total cpu time spent up to now is 370.7 secs Computing kpt #: 70 total cpu time spent up to now is 377.7 secs Computing kpt #: 71 total cpu time spent up to now is 383.7 secs Computing kpt #: 72 total cpu time spent up to now is 390.0 secs Computing kpt #: 73 total cpu time spent up to now is 395.4 secs Computing kpt #: 74 total cpu time spent up to now is 400.7 secs Computing kpt #: 75 total cpu time spent up to now is 405.8 secs Computing kpt #: 76 total cpu time spent up to now is 410.5 secs Computing kpt #: 77 total cpu time spent up to now is 415.2 secs Computing kpt #: 78 total cpu time spent up to now is 419.6 secs Computing kpt #: 79 total cpu time spent up to now is 425.6 secs Computing kpt #: 80 total cpu time spent up to now is 431.3 secs Computing kpt #: 81 total cpu time spent up to now is 435.4 secs Computing kpt #: 82 total cpu time spent up to now is 439.4 secs Computing kpt #: 83 total cpu time spent up to now is 443.6 secs Computing kpt #: 84 total cpu time spent up to now is 447.9 secs Computing kpt #: 85 total cpu time spent up to now is 452.2 secs Computing kpt #: 86 total cpu time spent up to now is 456.5 secs Computing kpt #: 87 total cpu time spent up to now is 460.7 secs Computing kpt #: 88 total cpu time spent up to now is 464.9 secs Computing kpt #: 89 total cpu time spent up to now is 469.5 secs Computing kpt #: 90 total cpu time spent up to now is 474.1 secs Computing kpt #: 91 total cpu time spent up to now is 478.7 secs Computing kpt #: 92 total cpu time spent up to now is 483.3 secs Computing kpt #: 93 total cpu time spent up to now is 487.9 secs Computing kpt #: 94 total cpu time spent up to now is 492.6 secs Computing kpt #: 95 total cpu time spent up to now is 497.1 secs Computing kpt #: 96 total cpu time spent up to now is 502.1 secs Computing kpt #: 97 total cpu time spent up to now is 507.0 secs Computing kpt #: 98 total cpu time spent up to now is 512.1 secs Computing kpt #: 99 total cpu time spent up to now is 517.0 secs Computing kpt #: 100 total cpu time spent up to now is 521.8 secs Computing kpt #: 101 total cpu time spent up to now is 526.6 secs Computing kpt #: 102 total cpu time spent up to now is 531.3 secs Computing kpt #: 103 total cpu time spent up to now is 536.0 secs Computing kpt #: 104 total cpu time spent up to now is 540.8 secs Computing kpt #: 105 total cpu time spent up to now is 545.4 secs Computing kpt #: 106 total cpu time spent up to now is 550.6 secs Computing kpt #: 107 total cpu time spent up to now is 555.6 secs Computing kpt #: 108 total cpu time spent up to now is 560.7 secs Computing kpt #: 109 total cpu time spent up to now is 565.7 secs Computing kpt #: 110 total cpu time spent up to now is 571.0 secs Computing kpt #: 111 total cpu time spent up to now is 576.3 secs Computing kpt #: 112 total cpu time spent up to now is 581.4 secs Computing kpt #: 113 total cpu time spent up to now is 586.4 secs Computing kpt #: 114 total cpu time spent up to now is 591.3 secs Computing kpt #: 115 total cpu time spent up to now is 596.1 secs Computing kpt #: 116 total cpu time spent up to now is 600.7 secs Computing kpt #: 117 total cpu time spent up to now is 605.6 secs Computing kpt #: 118 total cpu time spent up to now is 610.5 secs Computing kpt #: 119 total cpu time spent up to now is 615.2 secs Computing kpt #: 120 total cpu time spent up to now is 619.8 secs Computing kpt #: 121 total cpu time spent up to now is 624.5 secs Computing kpt #: 122 total cpu time spent up to now is 629.3 secs Computing kpt #: 123 total cpu time spent up to now is 634.0 secs Computing kpt #: 124 total cpu time spent up to now is 638.7 secs Computing kpt #: 125 total cpu time spent up to now is 643.2 secs Computing kpt #: 126 total cpu time spent up to now is 647.7 secs Computing kpt #: 127 total cpu time spent up to now is 652.5 secs Computing kpt #: 128 total cpu time spent up to now is 657.1 secs Computing kpt #: 129 total cpu time spent up to now is 661.6 secs Computing kpt #: 130 total cpu time spent up to now is 666.2 secs Computing kpt #: 131 total cpu time spent up to now is 670.8 secs Computing kpt #: 132 total cpu time spent up to now is 675.0 secs Computing kpt #: 133 total cpu time spent up to now is 679.4 secs Computing kpt #: 134 total cpu time spent up to now is 683.6 secs Computing kpt #: 135 total cpu time spent up to now is 687.7 secs Computing kpt #: 136 total cpu time spent up to now is 691.8 secs Computing kpt #: 137 total cpu time spent up to now is 695.8 secs Computing kpt #: 138 total cpu time spent up to now is 699.9 secs Computing kpt #: 139 total cpu time spent up to now is 703.9 secs Computing kpt #: 140 total cpu time spent up to now is 707.8 secs Computing kpt #: 141 total cpu time spent up to now is 711.8 secs Computing kpt #: 142 total cpu time spent up to now is 715.7 secs Computing kpt #: 143 total cpu time spent up to now is 720.8 secs Computing kpt #: 144 total cpu time spent up to now is 725.7 secs Computing kpt #: 145 total cpu time spent up to now is 730.0 secs Computing kpt #: 146 total cpu time spent up to now is 734.5 secs Computing kpt #: 147 total cpu time spent up to now is 739.1 secs Computing kpt #: 148 total cpu time spent up to now is 743.7 secs Computing kpt #: 149 total cpu time spent up to now is 748.6 secs Computing kpt #: 150 total cpu time spent up to now is 753.3 secs Computing kpt #: 151 total cpu time spent up to now is 758.0 secs Computing kpt #: 152 total cpu time spent up to now is 762.8 secs Computing kpt #: 153 total cpu time spent up to now is 767.6 secs Computing kpt #: 154 total cpu time spent up to now is 772.4 secs Computing kpt #: 155 total cpu time spent up to now is 777.5 secs Computing kpt #: 156 total cpu time spent up to now is 782.6 secs Computing kpt #: 157 total cpu time spent up to now is 787.7 secs Computing kpt #: 158 total cpu time spent up to now is 792.7 secs Computing kpt #: 159 total cpu time spent up to now is 797.8 secs Computing kpt #: 160 total cpu time spent up to now is 802.9 secs Computing kpt #: 161 total cpu time spent up to now is 808.1 secs Computing kpt #: 162 total cpu time spent up to now is 813.0 secs Computing kpt #: 163 total cpu time spent up to now is 818.1 secs Computing kpt #: 164 total cpu time spent up to now is 823.2 secs Computing kpt #: 165 total cpu time spent up to now is 828.2 secs Computing kpt #: 166 total cpu time spent up to now is 833.4 secs Computing kpt #: 167 total cpu time spent up to now is 838.6 secs Computing kpt #: 168 total cpu time spent up to now is 843.6 secs Computing kpt #: 169 total cpu time spent up to now is 848.5 secs Computing kpt #: 170 total cpu time spent up to now is 853.5 secs Computing kpt #: 171 total cpu time spent up to now is 858.8 secs Computing kpt #: 172 total cpu time spent up to now is 863.8 secs Computing kpt #: 173 total cpu time spent up to now is 868.8 secs Computing kpt #: 174 total cpu time spent up to now is 873.8 secs Computing kpt #: 175 total cpu time spent up to now is 878.8 secs Computing kpt #: 176 total cpu time spent up to now is 883.7 secs Computing kpt #: 177 total cpu time spent up to now is 888.6 secs Computing kpt #: 178 total cpu time spent up to now is 893.6 secs Computing kpt #: 179 total cpu time spent up to now is 898.5 secs Computing kpt #: 180 total cpu time spent up to now is 903.7 secs Computing kpt #: 181 total cpu time spent up to now is 908.6 secs Computing kpt #: 182 total cpu time spent up to now is 913.5 secs Computing kpt #: 183 total cpu time spent up to now is 918.3 secs Computing kpt #: 184 total cpu time spent up to now is 923.2 secs Computing kpt #: 185 total cpu time spent up to now is 928.2 secs Computing kpt #: 186 total cpu time spent up to now is 933.2 secs Computing kpt #: 187 total cpu time spent up to now is 938.2 secs Computing kpt #: 188 total cpu time spent up to now is 943.2 secs Computing kpt #: 189 total cpu time spent up to now is 948.3 secs Computing kpt #: 190 total cpu time spent up to now is 953.3 secs Computing kpt #: 191 total cpu time spent up to now is 958.4 secs Computing kpt #: 192 total cpu time spent up to now is 964.0 secs Computing kpt #: 193 total cpu time spent up to now is 970.0 secs Computing kpt #: 194 total cpu time spent up to now is 975.9 secs Computing kpt #: 195 total cpu time spent up to now is 981.8 secs Computing kpt #: 196 total cpu time spent up to now is 987.7 secs Computing kpt #: 197 total cpu time spent up to now is 994.3 secs Computing kpt #: 198 total cpu time spent up to now is 1001.5 secs Computing kpt #: 199 total cpu time spent up to now is 1008.6 secs Computing kpt #: 200 total cpu time spent up to now is 1016.1 secs Computing kpt #: 201 total cpu time spent up to now is 1024.0 secs Computing kpt #: 202 total cpu time spent up to now is 1031.9 secs Computing kpt #: 203 total cpu time spent up to now is 1036.9 secs Computing kpt #: 204 total cpu time spent up to now is 1041.8 secs Computing kpt #: 205 total cpu time spent up to now is 1046.5 secs Computing kpt #: 206 total cpu time spent up to now is 1051.1 secs Computing kpt #: 207 total cpu time spent up to now is 1055.8 secs Computing kpt #: 208 total cpu time spent up to now is 1060.5 secs Computing kpt #: 209 total cpu time spent up to now is 1065.2 secs Computing kpt #: 210 total cpu time spent up to now is 1069.7 secs Computing kpt #: 211 total cpu time spent up to now is 1074.2 secs Computing kpt #: 212 total cpu time spent up to now is 1079.0 secs Computing kpt #: 213 total cpu time spent up to now is 1083.6 secs Computing kpt #: 214 total cpu time spent up to now is 1088.2 secs Computing kpt #: 215 total cpu time spent up to now is 1092.7 secs Computing kpt #: 216 total cpu time spent up to now is 1097.3 secs Computing kpt #: 217 total cpu time spent up to now is 1102.3 secs Computing kpt #: 218 total cpu time spent up to now is 1106.6 secs Computing kpt #: 219 total cpu time spent up to now is 1111.4 secs Computing kpt #: 220 total cpu time spent up to now is 1116.3 secs Computing kpt #: 221 total cpu time spent up to now is 1121.1 secs Computing kpt #: 222 total cpu time spent up to now is 1125.9 secs Computing kpt #: 223 total cpu time spent up to now is 1130.3 secs Computing kpt #: 224 total cpu time spent up to now is 1135.0 secs Computing kpt #: 225 total cpu time spent up to now is 1139.6 secs Computing kpt #: 226 total cpu time spent up to now is 1144.1 secs Computing kpt #: 227 total cpu time spent up to now is 1148.7 secs Computing kpt #: 228 total cpu time spent up to now is 1153.3 secs Computing kpt #: 229 total cpu time spent up to now is 1157.9 secs Computing kpt #: 230 total cpu time spent up to now is 1162.6 secs Computing kpt #: 231 total cpu time spent up to now is 1167.3 secs Computing kpt #: 232 total cpu time spent up to now is 1171.9 secs Computing kpt #: 233 total cpu time spent up to now is 1176.4 secs Computing kpt #: 234 total cpu time spent up to now is 1181.2 secs Computing kpt #: 235 total cpu time spent up to now is 1185.8 secs Computing kpt #: 236 total cpu time spent up to now is 1190.3 secs Computing kpt #: 237 total cpu time spent up to now is 1194.9 secs Computing kpt #: 238 total cpu time spent up to now is 1199.6 secs Computing kpt #: 239 total cpu time spent up to now is 1204.6 secs Computing kpt #: 240 total cpu time spent up to now is 1209.5 secs Computing kpt #: 241 total cpu time spent up to now is 1214.4 secs Computing kpt #: 242 total cpu time spent up to now is 1219.3 secs Computing kpt #: 243 total cpu time spent up to now is 1224.3 secs Computing kpt #: 244 total cpu time spent up to now is 1229.4 secs Computing kpt #: 245 total cpu time spent up to now is 1234.4 secs Computing kpt #: 246 total cpu time spent up to now is 1239.5 secs Computing kpt #: 247 total cpu time spent up to now is 1244.7 secs Computing kpt #: 248 total cpu time spent up to now is 1249.8 secs Computing kpt #: 249 total cpu time spent up to now is 1255.3 secs Computing kpt #: 250 total cpu time spent up to now is 1260.4 secs Computing kpt #: 251 total cpu time spent up to now is 1265.5 secs Computing kpt #: 252 total cpu time spent up to now is 1271.2 secs Computing kpt #: 253 total cpu time spent up to now is 1276.4 secs Computing kpt #: 254 total cpu time spent up to now is 1281.3 secs Computing kpt #: 255 total cpu time spent up to now is 1286.4 secs Computing kpt #: 256 total cpu time spent up to now is 1291.3 secs Computing kpt #: 257 total cpu time spent up to now is 1296.2 secs Computing kpt #: 258 total cpu time spent up to now is 1301.1 secs Computing kpt #: 259 total cpu time spent up to now is 1306.1 secs Computing kpt #: 260 total cpu time spent up to now is 1311.0 secs Computing kpt #: 261 total cpu time spent up to now is 1315.9 secs Computing kpt #: 262 total cpu time spent up to now is 1321.4 secs Computing kpt #: 263 total cpu time spent up to now is 1329.3 secs Computing kpt #: 264 total cpu time spent up to now is 1334.4 secs Computing kpt #: 265 total cpu time spent up to now is 1339.2 secs Computing kpt #: 266 total cpu time spent up to now is 1343.9 secs Computing kpt #: 267 total cpu time spent up to now is 1348.9 secs Computing kpt #: 268 total cpu time spent up to now is 1353.3 secs Computing kpt #: 269 total cpu time spent up to now is 1358.4 secs Computing kpt #: 270 total cpu time spent up to now is 1363.3 secs Computing kpt #: 271 total cpu time spent up to now is 1368.0 secs Computing kpt #: 272 total cpu time spent up to now is 1372.9 secs Computing kpt #: 273 total cpu time spent up to now is 1377.8 secs Computing kpt #: 274 total cpu time spent up to now is 1382.8 secs Computing kpt #: 275 total cpu time spent up to now is 1387.7 secs Computing kpt #: 276 total cpu time spent up to now is 1392.6 secs Computing kpt #: 277 total cpu time spent up to now is 1397.4 secs Computing kpt #: 278 total cpu time spent up to now is 1402.1 secs Computing kpt #: 279 total cpu time spent up to now is 1406.8 secs Computing kpt #: 280 total cpu time spent up to now is 1411.5 secs Computing kpt #: 281 total cpu time spent up to now is 1422.0 secs Computing kpt #: 282 total cpu time spent up to now is 1426.5 secs Computing kpt #: 283 total cpu time spent up to now is 1431.1 secs ethr = 1.85E-11, avg # of iterations = 26.4 total cpu time spent up to now is 1431.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7887 PWs) bands (ev): -44.9829 -44.9829 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7416 -5.7416 -3.4781 -3.4781 1.4363 1.4363 2.4455 2.4455 2.5821 2.5821 3.5240 3.5240 3.9542 3.9542 3.9747 3.9747 4.1036 4.1036 4.1221 4.1221 4.6661 4.6661 4.7607 4.7607 4.7761 4.7761 4.9343 4.9343 5.0623 5.0623 5.1157 5.1157 5.4965 5.4965 5.5029 5.5029 6.8981 6.8981 7.2604 7.2604 7.5465 7.5465 7.6596 7.6596 7.9153 7.9153 8.2715 8.2715 9.0010 9.0010 10.5289 10.5289 10.5807 10.5807 10.9858 10.9858 k = 0.0116-0.0203-0.0123 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7407 -5.7407 -3.4775 -3.4774 1.4341 1.4400 2.4375 2.4510 2.5810 2.5811 3.5234 3.5257 3.9543 3.9543 3.9741 3.9754 4.1028 4.1028 4.1217 4.1222 4.6550 4.6758 4.7558 4.7576 4.7770 4.7827 4.9310 4.9386 5.0625 5.0625 5.1157 5.1159 5.4960 5.4961 5.5026 5.5026 6.8854 6.8959 7.2438 7.2709 7.5302 7.5304 7.6639 7.6803 7.8910 7.9387 8.2675 8.2675 9.0026 9.0168 10.5269 10.5316 10.5810 10.5810 10.9917 10.9928 k = 0.0233-0.0405-0.0245 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7380 -5.7379 -3.4756 -3.4755 1.4333 1.4453 2.4266 2.4541 2.5776 2.5785 3.5241 3.5286 3.9544 3.9545 3.9735 3.9762 4.1001 4.1006 4.1211 4.1221 4.6426 4.6842 4.7453 4.7524 4.7829 4.7910 4.9285 4.9436 5.0630 5.0630 5.1160 5.1164 5.4943 5.4947 5.5015 5.5019 6.8588 6.8785 7.2230 7.2742 7.4949 7.4963 7.6746 7.7108 7.8687 7.9631 8.2565 8.2573 9.0212 9.0483 10.5207 10.5293 10.5871 10.5878 11.0102 11.0125 k = 0.0349-0.0608-0.0368 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7335 -5.7333 -3.4723 -3.4722 1.4338 1.4521 2.4121 2.4548 2.5723 2.5749 3.5259 3.5327 3.9544 3.9549 3.9730 3.9771 4.0958 4.0970 4.1204 4.1216 4.6289 4.6909 4.7330 4.7471 4.7900 4.7990 4.9270 4.9493 5.0638 5.0638 5.1166 5.1171 5.4915 5.4927 5.4996 5.5008 6.8196 6.8461 7.2002 7.2705 7.4538 7.4567 7.6734 7.7221 7.8634 7.9891 8.2418 8.2460 9.0545 9.0923 10.5037 10.5146 10.6066 10.6094 11.0406 11.0443 k = 0.0465-0.0811-0.0490 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7271 -5.7268 -3.4679 -3.4677 1.4355 1.4604 2.3933 2.4525 2.5659 2.5713 3.5287 3.5377 3.9541 3.9554 3.9727 3.9779 4.0898 4.0924 4.1195 4.1209 4.6141 4.6949 4.7208 4.7421 4.7977 4.8066 4.9264 4.9555 5.0649 5.0649 5.1175 5.1180 5.4874 5.4898 5.4969 5.4993 6.7693 6.8006 7.1767 7.2602 7.4112 7.4147 7.6545 7.6951 7.8874 8.0128 8.2274 8.2416 9.0990 9.1452 10.4777 10.4906 10.6395 10.6447 11.0816 11.0870 k = 0.0581-0.1013-0.0613 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7190 -5.7186 -3.4621 -3.4619 1.4383 1.4702 2.3699 2.4461 2.5597 2.5683 3.5327 3.5438 3.9532 3.9559 3.9726 3.9787 4.0824 4.0869 4.1184 4.1199 4.5982 4.6918 4.7135 4.7374 4.8056 4.8137 4.9265 4.9620 5.0662 5.0664 5.1186 5.1190 5.4822 5.4861 5.4934 5.4973 6.7099 6.7442 7.1524 7.2441 7.3686 7.3703 7.6190 7.6428 7.9233 8.0261 8.2183 8.2529 9.1514 9.2038 10.4471 10.4620 10.6835 10.6907 11.1311 11.1386 k = 0.0698-0.1216-0.0735 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0277 -16.8534 -16.8534 -16.8447 -16.8446 -5.7091 -5.7086 -3.4551 -3.4549 1.4419 1.4815 2.3416 2.4347 2.5549 2.5663 3.5376 3.5508 3.9512 3.9562 3.9726 3.9792 4.0738 4.0809 4.1171 4.1187 4.5812 4.6789 4.7138 4.7331 4.8135 4.8204 4.9274 4.9688 5.0677 5.0681 5.1199 5.1201 5.4759 5.4815 5.4892 5.4948 6.6433 6.6800 7.1265 7.2220 7.3233 7.3263 7.5704 7.5779 7.9534 8.0247 8.2206 8.2829 9.2083 9.2651 10.4159 10.4331 10.7370 10.7458 11.1866 11.1962 k = 0.0814-0.1419-0.0858 ( 7868 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0277 -16.8535 -16.8535 -16.8447 -16.8446 -5.6974 -5.6969 -3.4469 -3.4466 1.4462 1.4941 2.3087 2.4180 2.5524 2.5656 3.5434 3.5586 3.9480 3.9562 3.9728 3.9795 4.0643 4.0748 4.1156 4.1174 4.5634 4.6618 4.7164 4.7291 4.8214 4.8267 4.9289 4.9757 5.0693 5.0700 5.1211 5.1213 5.4684 5.4758 5.4844 5.4918 6.5716 6.6105 7.0978 7.1934 7.2733 7.2849 7.5062 7.5129 7.9685 8.0114 8.2392 8.3268 9.2667 9.3260 10.3879 10.4075 10.7988 10.8089 11.2444 11.2561 k = 0.0930-0.1621-0.0980 ( 7872 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8536 -16.8536 -16.8447 -16.8446 -5.6841 -5.6834 -3.4375 -3.4372 1.4507 1.5080 2.2713 2.3963 2.5524 2.5661 3.5500 3.5671 3.9432 3.9555 3.9728 3.9792 4.0543 4.0689 4.1139 4.1160 4.5448 4.6429 4.7191 4.7253 4.8289 4.8328 4.9308 4.9825 5.0710 5.0722 5.1220 5.1229 5.4597 5.4688 5.4791 5.4881 6.4967 6.5378 7.0650 7.1570 7.2200 7.2444 7.4316 7.4508 7.9671 7.9913 8.2738 8.3780 9.3233 9.3836 10.3668 10.3890 10.8679 10.8790 11.2999 11.3132 k = 0.1047-0.1824-0.1103 ( 7875 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8537 -16.8537 -16.8447 -16.8446 -5.6690 -5.6683 -3.4270 -3.4266 1.4553 1.5229 2.2301 2.3706 2.5546 2.5679 3.5572 3.5764 3.9369 3.9539 3.9724 3.9782 4.0443 4.0637 4.1120 4.1144 4.5255 4.6226 4.7215 4.7218 4.8362 4.8387 4.9331 4.9891 5.0726 5.0745 5.1228 5.1247 5.4499 5.4605 5.4734 5.4838 6.4201 6.4636 7.0267 7.1125 7.1630 7.2025 7.3584 7.3880 7.9534 7.9673 8.3192 8.4322 9.3751 9.4350 10.3563 10.3811 10.9433 10.9551 11.3474 11.3613 k = 0.1163-0.2027-0.1225 ( 7881 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8538 -16.8538 -16.8447 -16.8446 -5.6524 -5.6516 -3.4153 -3.4149 1.4593 1.5386 2.1856 2.3421 2.5585 2.5708 3.5650 3.5862 3.9289 3.9507 3.9710 3.9763 4.0348 4.0597 4.1101 4.1126 4.5057 4.6014 4.7186 4.7236 4.8430 4.8444 4.9357 4.9954 5.0741 5.0771 5.1232 5.1265 5.4388 5.4509 5.4672 5.4789 6.3433 6.3894 6.9819 7.0608 7.1022 7.1545 7.2925 7.3279 7.9322 7.9409 8.3697 8.4866 9.4194 9.4775 10.3593 10.3868 11.0240 11.0362 11.3809 11.3941 k = 0.1279-0.2229-0.1348 ( 7872 PWs) bands (ev): -44.9828 -44.9828 -17.0281 -17.0279 -16.8539 -16.8539 -16.8447 -16.8446 -5.6341 -5.6333 -3.4026 -3.4021 1.4622 1.5548 2.1387 2.3119 2.5636 2.5746 3.5732 3.5966 3.9193 3.9453 3.9684 3.9733 4.0265 4.0570 4.1083 4.1107 4.4855 4.5793 4.7156 4.7253 4.8493 4.8500 4.9385 5.0014 5.0755 5.0798 5.1233 5.1283 5.4265 5.4400 5.4606 5.4732 6.2674 6.3163 6.9296 7.0027 7.0382 7.0960 7.2385 7.2726 7.9065 7.9129 8.4218 8.5397 9.4543 9.5094 10.3772 10.4078 11.1087 11.1213 11.3964 11.4083 k = 0.1395-0.2432-0.1471 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0281 -17.0280 -16.8541 -16.8541 -16.8447 -16.8446 -5.6143 -5.6134 -3.3888 -3.3883 1.4634 1.5706 2.0902 2.2813 2.5698 2.5794 3.5818 3.6074 3.9081 3.9371 3.9644 3.9693 4.0196 4.0555 4.1066 4.1086 4.4652 4.5567 4.7128 4.7268 4.8549 4.8554 4.9414 5.0069 5.0767 5.0827 5.1228 5.1301 5.4129 5.4277 5.4535 5.4668 6.1935 6.2452 6.8694 6.9384 6.9723 7.0289 7.1956 7.2226 7.8780 7.8839 8.4732 8.5900 9.4798 9.5310 10.4091 10.4432 11.1959 11.2090 11.3953 11.4069 k = 0.1512-0.2635-0.1593 ( 7866 PWs) bands (ev): -44.9828 -44.9828 -17.0282 -17.0281 -16.8542 -16.8542 -16.8447 -16.8446 -5.5931 -5.5921 -3.3741 -3.3736 1.4621 1.5853 2.0414 2.2514 2.5769 2.5849 3.5906 3.6186 3.8955 3.9260 3.9589 3.9644 4.0139 4.0549 4.1054 4.1065 4.4449 4.5339 4.7102 4.7280 4.8598 4.8607 4.9445 5.0120 5.0775 5.0856 5.1219 5.1318 5.3980 5.4143 5.4458 5.4597 6.1224 6.1769 6.8017 6.8681 6.9061 6.9591 7.1588 7.1772 7.8477 7.8540 8.5221 8.6367 9.4973 9.5440 10.4517 10.4901 11.2824 11.2969 11.3855 11.3995 k = 0.1628-0.2837-0.1716 ( 7873 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0282 -16.8544 -16.8543 -16.8447 -16.8446 -5.5704 -5.5694 -3.3584 -3.3579 1.4574 1.5972 1.9943 2.2234 2.5846 2.5912 3.5993 3.6299 3.8817 3.9122 3.9520 3.9586 4.0088 4.0542 4.1048 4.1049 4.4250 4.5111 4.7079 4.7291 4.8637 4.8659 4.9476 5.0164 5.0780 5.0887 5.1202 5.1334 5.3819 5.3997 5.4376 5.4517 6.0551 6.1120 6.7280 6.7926 6.8405 6.8903 7.1246 7.1352 7.8163 7.8236 8.5675 8.6786 9.5097 9.5516 10.4991 10.5427 11.3479 11.3554 11.4045 11.4146 k = 0.1744-0.3040-0.1838 ( 7881 PWs) bands (ev): -44.9828 -44.9828 -17.0284 -17.0283 -16.8545 -16.8545 -16.8448 -16.8446 -5.5465 -5.5454 -3.3419 -3.3414 1.4484 1.6037 1.9516 2.1985 2.5929 2.5980 3.6079 3.6413 3.8668 3.8961 3.9437 3.9519 4.0034 4.0520 4.1046 4.1051 4.4056 4.4889 4.7058 4.7300 4.8667 4.8708 4.9507 5.0202 5.0781 5.0917 5.1179 5.1349 5.3647 5.3842 5.4288 5.4429 5.9920 6.0510 6.6506 6.7136 6.7757 6.8235 7.0908 7.0953 7.7843 7.7927 8.6082 8.7150 9.5200 9.5569 10.5447 10.5937 11.3571 11.3635 11.4883 11.4884 k = 0.1860-0.3243-0.1961 ( 7878 PWs) bands (ev): -44.9828 -44.9828 -17.0285 -17.0283 -16.8547 -16.8547 -16.8448 -16.8446 -5.5213 -5.5202 -3.3247 -3.3241 1.4343 1.6011 1.9174 2.1777 2.6017 2.6054 3.6159 3.6526 3.8512 3.8781 3.9343 3.9443 3.9972 4.0470 4.1065 4.1067 4.3871 4.4677 4.7039 4.7308 4.8685 4.8755 4.9538 5.0233 5.0779 5.0946 5.1150 5.1360 5.3465 5.3679 5.4194 5.4332 5.9337 5.9942 6.5714 6.6334 6.7115 6.7585 7.0562 7.0566 7.7520 7.7617 8.6436 8.7450 9.5311 9.5627 10.5816 10.6350 11.3689 11.3790 11.5773 11.5774 k = 0.1977-0.3445-0.2083 ( 7878 PWs) bands (ev): -44.9828 -44.9828 -17.0286 -17.0284 -16.8548 -16.8548 -16.8448 -16.8446 -5.4950 -5.4938 -3.3067 -3.3061 1.4146 1.5855 1.8957 2.1620 2.6109 2.6132 3.6231 3.6633 3.8351 3.8587 3.9236 3.9358 3.9898 4.0384 4.1097 4.1111 4.3698 4.4480 4.7022 4.7314 4.8691 4.8798 4.9568 5.0256 5.0771 5.0970 5.1117 5.1368 5.3277 5.3512 5.4094 5.4226 5.8804 5.9418 6.4922 6.5536 6.6479 6.6948 7.0174 7.0211 7.7197 7.7307 8.6730 8.7683 9.5449 9.5713 10.6052 10.6606 11.4017 11.4115 11.6645 11.6671 k = 0.2093-0.3648-0.2206 ( 7874 PWs) bands (ev): -44.9828 -44.9828 -17.0287 -17.0285 -16.8550 -16.8550 -16.8447 -16.8446 -5.4676 -5.4664 -3.2881 -3.2875 1.3889 1.5552 1.8884 2.1517 2.6204 2.6215 3.6288 3.6730 3.8187 3.8380 3.9119 3.9265 3.9813 4.0265 4.1142 4.1181 4.3539 4.4302 4.7008 4.7320 4.8683 4.8837 4.9597 5.0271 5.0760 5.0977 5.1092 5.1372 5.3084 5.3344 5.3988 5.4111 5.8323 5.8939 6.4141 6.4756 6.5850 6.6323 6.9782 6.9842 7.6876 7.6999 8.6963 8.7848 9.5628 9.5837 10.6142 10.6692 11.4555 11.4619 11.7481 11.7546 k = 0.2209-0.3850-0.2328 ( 7868 PWs) bands (ev): -44.9828 -44.9828 -17.0287 -17.0286 -16.8552 -16.8551 -16.8447 -16.8446 -5.4393 -5.4381 -3.2689 -3.2683 1.3573 1.5122 1.8937 2.1469 2.6301 2.6302 3.6324 3.6809 3.8025 3.8166 3.8992 3.9166 3.9720 4.0119 4.1201 4.1269 4.3394 4.4147 4.6996 4.7325 4.8661 4.8870 4.9625 5.0277 5.0744 5.0951 5.1092 5.1369 5.2894 5.3181 5.3876 5.3985 5.7892 5.8503 6.3382 6.4000 6.5228 6.5709 6.9381 6.9456 7.6559 7.6693 8.7135 8.7950 9.5848 9.6005 10.6113 10.6640 11.5234 11.5255 11.8264 11.8379 k = 0.2326-0.4053-0.2451 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0288 -17.0287 -16.8553 -16.8553 -16.8447 -16.8446 -5.4101 -5.4089 -3.2493 -3.2487 1.3203 1.4604 1.9078 2.1474 2.6390 2.6402 3.6328 3.6858 3.7869 3.7949 3.8860 3.9065 3.9622 3.9956 4.1275 4.1373 4.3265 4.4015 4.6988 4.7328 4.8624 4.8894 4.9649 5.0270 5.0724 5.0898 5.1111 5.1359 5.2710 5.3028 5.3758 5.3850 5.7511 5.8109 6.2651 6.3276 6.4616 6.5106 6.8970 6.9052 7.6248 7.6392 8.7251 8.7996 9.6104 9.6213 10.6006 10.6501 11.5942 11.5946 11.8986 11.9149 k = 0.2442-0.4256-0.2573 ( 7864 PWs) bands (ev): -44.9828 -44.9828 -17.0289 -17.0288 -16.8555 -16.8555 -16.8447 -16.8446 -5.3803 -5.3790 -3.2294 -3.2287 1.2785 1.4030 1.9278 2.1527 2.6481 2.6503 3.6286 3.6858 3.7722 3.7738 3.8733 3.8970 3.9523 3.9786 4.1361 4.1490 4.3153 4.3906 4.6982 4.7330 4.8573 4.8909 4.9669 5.0249 5.0699 5.0835 5.1135 5.1341 5.2538 5.2888 5.3635 5.3705 5.7174 5.7753 6.1953 6.2588 6.4016 6.4516 6.8547 6.8629 7.5945 7.6097 8.7319 8.7997 9.6385 9.6451 10.5863 10.6327 11.6561 11.6584 11.9649 11.9832 k = 0.2558-0.4458-0.2696 ( 7868 PWs) bands (ev): -44.9828 -44.9828 -17.0290 -17.0289 -16.8557 -16.8557 -16.8447 -16.8446 -5.3499 -5.3486 -3.2091 -3.2085 1.2327 1.3423 1.9513 2.1619 2.6573 2.6606 3.6184 3.6796 3.7546 3.7581 3.8629 3.8886 3.9427 3.9618 4.1457 4.1618 4.3055 4.3820 4.6979 4.7329 4.8509 4.8911 4.9683 5.0210 5.0670 5.0774 5.1159 5.1315 5.2384 5.2765 5.3507 5.3551 5.6879 5.7433 6.1293 6.1940 6.3430 6.3941 6.8111 6.8187 7.5651 7.5810 8.7347 8.7962 9.6676 9.6706 10.5720 10.6156 11.6968 11.7087 12.0269 12.0409 k = 0.2674-0.4661-0.2819 ( 7859 PWs) bands (ev): -44.9828 -44.9828 -17.0291 -17.0290 -16.8559 -16.8558 -16.8447 -16.8445 -5.3191 -5.3178 -3.1888 -3.1882 1.1838 1.2797 1.9771 2.1743 2.6667 2.6709 3.6014 3.6665 3.7378 3.7431 3.8568 3.8819 3.9337 3.9458 4.1562 4.1756 4.2973 4.3753 4.6978 4.7325 4.8432 4.8898 4.9691 5.0150 5.0637 5.0721 5.1180 5.1281 5.2250 5.2660 5.3376 5.3388 5.6620 5.7143 6.0673 6.1334 6.2860 6.3382 6.7662 6.7726 7.5367 7.5530 8.7345 8.7902 9.6962 9.6964 10.5606 10.6019 11.7129 11.7384 12.0847 12.0881 k = 0.2791-0.4864-0.2941 ( 7859 PWs) bands (ev): -44.9827 -44.9827 -17.0292 -17.0291 -16.8560 -16.8560 -16.8447 -16.8445 -5.2880 -5.2867 -3.1684 -3.1678 1.1326 1.2163 2.0042 2.1891 2.6761 2.6811 3.5780 3.6473 3.7233 3.7261 3.8561 3.8771 3.9257 3.9311 4.1674 4.1904 4.2906 4.3702 4.6981 4.7316 4.8347 4.8867 4.9691 5.0071 5.0601 5.0680 5.1195 5.1242 5.2140 5.2571 5.3216 5.3244 5.6393 5.6882 6.0095 6.0771 6.2309 6.2840 6.7201 6.7249 7.5094 7.5260 8.7320 8.7824 9.7207 9.7226 10.5540 10.5936 11.7084 11.7462 12.1259 12.1355 k = 0.2907-0.5066-0.3064 ( 7857 PWs) bands (ev): -44.9827 -44.9827 -17.0293 -17.0291 -16.8562 -16.8562 -16.8447 -16.8445 -5.2567 -5.2554 -3.1480 -3.1475 1.0799 1.1529 2.0319 2.2056 2.6854 2.6912 3.5496 3.6231 3.7074 3.7103 3.8599 3.8735 3.9179 3.9194 4.1789 4.2059 4.2855 4.3665 4.6985 4.7299 4.8257 4.8817 4.9682 4.9978 5.0562 5.0650 5.1200 5.1205 5.2054 5.2493 5.3037 5.3115 5.6193 5.6645 5.9560 6.0253 6.1779 6.2318 6.6728 6.6756 7.4834 7.5000 8.7279 8.7735 9.7425 9.7459 10.5537 10.5919 11.6901 11.7364 12.1507 12.1736 k = 0.3023-0.5269-0.3186 ( 7854 PWs) bands (ev): -44.9827 -44.9827 -17.0294 -17.0292 -16.8564 -16.8563 -16.8447 -16.8445 -5.2256 -5.2243 -3.1279 -3.1273 1.0264 1.0900 2.0596 2.2231 2.6946 2.7011 3.5180 3.5947 3.6883 3.6980 3.8663 3.8703 3.9066 3.9156 4.1903 4.2223 4.2823 4.3639 4.6992 4.7272 4.8168 4.8749 4.9662 4.9877 5.0521 5.0629 5.1159 5.1208 5.1992 5.2416 5.2852 5.2997 5.6017 5.6431 5.9069 5.9778 6.1272 6.1817 6.6246 6.6250 7.4587 7.4752 8.7227 8.7641 9.7607 9.7650 10.5603 10.5976 11.6639 11.7153 12.1516 12.1845 k = 0.3140-0.5472-0.3309 ( 7851 PWs) bands (ev): -44.9827 -44.9827 -17.0295 -17.0293 -16.8565 -16.8565 -16.8447 -16.8445 -5.1946 -5.1934 -3.1081 -3.1075 0.9728 1.0281 2.0871 2.2410 2.7037 2.7108 3.4847 3.5633 3.6699 3.6859 3.8664 3.8721 3.8991 3.9150 4.2010 4.2393 4.2816 4.3620 4.6999 4.7230 4.8087 4.8663 4.9631 4.9774 5.0479 5.0613 5.1120 5.1205 5.1950 5.2328 5.2664 5.2897 5.5861 5.6236 5.8621 5.9347 6.0791 6.1339 6.5733 6.5755 7.4353 7.4515 8.7169 8.7544 9.7749 9.7798 10.5736 10.6102 11.6344 11.6883 12.1206 12.1496 k = 0.3256-0.5674-0.3431 ( 7849 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0294 -16.8567 -16.8566 -16.8447 -16.8445 -5.1641 -5.1629 -3.0887 -3.0882 0.9196 0.9678 2.1138 2.2587 2.7125 2.7201 3.4510 3.5300 3.6528 3.6740 3.8613 3.8715 3.9000 3.9177 4.2102 4.2568 4.2841 4.3609 4.7007 4.7172 4.8020 4.8565 4.9588 4.9672 5.0437 5.0598 5.1084 5.1197 5.1919 5.2220 5.2480 5.2825 5.5723 5.6058 5.8216 5.8957 6.0339 6.0886 6.5207 6.5259 7.4133 7.4291 8.7107 8.7447 9.7853 9.7904 10.5930 10.6291 11.6047 11.6592 12.0686 12.0870 k = 0.3372-0.5877-0.3554 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0295 -16.8568 -16.8568 -16.8446 -16.8445 -5.1342 -5.1330 -3.0698 -3.0693 0.8674 0.9093 2.1396 2.2756 2.7210 2.7290 3.4178 3.4961 3.6372 3.6625 3.8551 3.8649 3.9084 3.9229 4.2169 4.2747 4.2905 4.3602 4.7014 4.7097 4.7971 4.8460 4.9533 4.9572 5.0394 5.0583 5.1053 5.1186 5.1883 5.2089 5.2315 5.2781 5.5600 5.5897 5.7851 5.8608 5.9917 6.0459 6.4677 6.4760 7.3928 7.4080 8.7045 8.7352 9.7924 9.7975 10.6170 10.6525 11.5770 11.6309 12.0088 12.0182 k = 0.3488-0.6080-0.3676 ( 7850 PWs) bands (ev): -44.9827 -44.9827 -17.0297 -17.0296 -16.8570 -16.8570 -16.8446 -16.8445 -5.1051 -5.1040 -3.0517 -3.0512 0.8166 0.8531 2.1640 2.2914 2.7291 2.7375 3.3859 3.4623 3.6231 3.6516 3.8485 3.8567 3.9192 3.9299 4.2211 4.2924 4.3008 4.3602 4.7011 4.7018 4.7939 4.8355 4.9468 4.9475 5.0350 5.0562 5.1025 5.1173 5.1804 5.1939 5.2205 5.2759 5.5489 5.5751 5.7524 5.8298 5.9528 6.0060 6.4145 6.4262 7.3737 7.3882 8.6983 8.7261 9.7968 9.8018 10.6439 10.6786 11.5530 11.6052 11.9482 11.9507 k = 0.3605-0.6282-0.3799 ( 7850 PWs) bands (ev): -44.9827 -44.9827 -17.0298 -17.0297 -16.8571 -16.8571 -16.8446 -16.8445 -5.0770 -5.0759 -3.0343 -3.0339 0.7678 0.7995 2.1869 2.3057 2.7368 2.7453 3.3559 3.4295 3.6106 3.6413 3.8417 3.8486 3.9306 3.9378 4.2235 4.3093 4.3143 4.3612 4.6919 4.7019 4.7923 4.8256 4.9379 4.9394 5.0303 5.0535 5.1000 5.1160 5.1661 5.1780 5.2171 5.2752 5.5391 5.5621 5.7235 5.8024 5.9173 5.9689 6.3615 6.3766 7.3561 7.3698 8.6923 8.7173 9.7993 9.8042 10.6717 10.7053 11.5335 11.5828 11.8877 11.8911 k = 0.3721-0.6485-0.3922 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0297 -16.8573 -16.8572 -16.8446 -16.8445 -5.0502 -5.0492 -3.0178 -3.0174 0.7214 0.7487 2.2082 2.3182 2.7440 2.7525 3.3281 3.3982 3.5998 3.6318 3.8351 3.8408 3.9419 3.9463 4.2249 4.3232 4.3301 4.3650 4.6829 4.7014 4.7920 4.8170 4.9285 4.9310 5.0250 5.0498 5.0976 5.1143 5.1486 5.1618 5.2185 5.2755 5.5303 5.5507 5.6980 5.7783 5.8853 5.9348 6.3093 6.3278 7.3400 7.3528 8.6866 8.7089 9.8008 9.8055 10.6985 10.7306 11.5188 11.5636 11.8318 11.8408 k = 0.3837-0.6688-0.4044 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0298 -16.8574 -16.8573 -16.8446 -16.8445 -5.0248 -5.0238 -3.0024 -3.0020 0.6776 0.7012 2.2277 2.3286 2.7508 2.7591 3.3031 3.3688 3.5907 3.6233 3.8288 3.8336 3.9528 3.9549 4.2260 4.3311 4.3474 4.3742 4.6747 4.7003 4.7927 4.8099 4.9194 4.9220 5.0188 5.0445 5.0949 5.1108 5.1322 5.1464 5.2223 5.2763 5.5227 5.5409 5.6757 5.7573 5.8570 5.9037 6.2583 6.2801 7.3254 7.3372 8.6812 8.7010 9.8018 9.8062 10.7227 10.7526 11.5074 11.5458 11.7864 11.8014 k = 0.3953-0.6890-0.4167 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0299 -16.8575 -16.8574 -16.8446 -16.8445 -5.0010 -5.0001 -2.9880 -2.9877 0.6370 0.6572 2.2453 2.3370 2.7569 2.7649 3.2809 3.3417 3.5833 3.6157 3.8229 3.8270 3.9630 3.9634 4.2271 4.3328 4.3657 4.3888 4.6678 4.6985 4.7942 4.8048 4.9104 4.9125 5.0112 5.0369 5.0917 5.1018 5.1226 5.1328 5.2272 5.2774 5.5161 5.5329 5.6566 5.7390 5.8323 5.8756 6.2091 6.2339 7.3122 7.3230 8.6762 8.6936 9.8027 9.8069 10.7430 10.7702 11.4962 11.5265 11.7557 11.7773 k = 0.4070-0.7093-0.4289 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0299 -16.8576 -16.8576 -16.8446 -16.8445 -4.9791 -4.9783 -2.9749 -2.9746 0.5998 0.6169 2.2610 2.3432 2.7625 2.7701 3.2618 3.3169 3.5776 3.6090 3.8175 3.8209 3.9716 3.9723 4.2287 4.3306 4.3844 4.4059 4.6625 4.6961 4.7964 4.8015 4.9019 4.9026 5.0020 5.0260 5.0873 5.0891 5.1193 5.1222 5.2328 5.2784 5.5107 5.5267 5.6403 5.7231 5.8111 5.8506 6.1622 6.1897 7.3006 7.3103 8.6716 8.6868 9.8038 9.8078 10.7589 10.7828 11.4813 11.5032 11.7442 11.7716 k = 0.4186-0.7296-0.4412 ( 7837 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8577 -16.8576 -16.8446 -16.8445 -4.9592 -4.9585 -2.9631 -2.9629 0.5663 0.5807 2.2749 2.3473 2.7675 2.7744 3.2456 3.2947 3.5735 3.6032 3.8127 3.8156 3.9791 3.9808 4.2310 4.3261 4.4033 4.4236 4.6591 4.6934 4.7993 4.8000 4.8925 4.8940 4.9908 5.0112 5.0782 5.0815 5.1153 5.1179 5.2385 5.2791 5.5065 5.5224 5.6270 5.7091 5.7935 5.8287 6.1184 6.1479 7.2904 7.2990 8.6674 8.6805 9.8053 9.8089 10.7702 10.7906 11.4609 11.4761 11.7534 11.7843 k = 0.4302-0.7498-0.4534 ( 7832 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8577 -16.8577 -16.8445 -16.8445 -4.9415 -4.9409 -2.9527 -2.9525 0.5368 0.5487 2.2872 2.3496 2.7720 2.7781 3.2325 3.2750 3.5709 3.5982 3.8085 3.8109 3.9860 3.9881 4.2341 4.3202 4.4217 4.4408 4.6574 4.6905 4.8000 4.8028 4.8824 4.8869 4.9779 4.9933 5.0704 5.0752 5.1115 5.1170 5.2443 5.2794 5.5036 5.5197 5.6166 5.6965 5.7791 5.8098 6.0786 6.1089 7.2816 7.2891 8.6638 8.6749 9.8072 9.8104 10.7775 10.7943 11.4368 11.4474 11.7806 11.8126 k = 0.4419-0.7701-0.4657 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0301 -16.8578 -16.8578 -16.8445 -16.8445 -4.9263 -4.9257 -2.9438 -2.9436 0.5115 0.5212 2.2979 2.3501 2.7758 2.7810 3.2221 3.2579 3.5697 3.5938 3.8049 3.8069 3.9921 3.9944 4.2381 4.3131 4.4392 4.4567 4.6574 4.6876 4.8011 4.8070 4.8726 4.8809 4.9639 4.9738 5.0650 5.0694 5.1097 5.1162 5.2498 5.2793 5.5020 5.5182 5.6095 5.6849 5.7678 5.7938 6.0435 6.0735 7.2744 7.2806 8.6608 8.6699 9.8092 9.8121 10.7816 10.7950 11.4122 11.4198 11.8214 11.8529 k = 0.4535-0.7904-0.4779 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0301 -16.8579 -16.8579 -16.8445 -16.8445 -4.9135 -4.9131 -2.9364 -2.9363 0.4907 0.4982 2.3073 2.3492 2.7790 2.7833 3.2146 3.2434 3.5696 3.5898 3.8020 3.8035 3.9973 3.9994 4.2430 4.3052 4.4553 4.4705 4.6588 4.6846 4.8032 4.8118 4.8635 4.8761 4.9496 4.9542 5.0611 5.0647 5.1090 5.1153 5.2549 5.2786 5.5016 5.5173 5.6060 5.6736 5.7596 5.7807 6.0141 6.0420 7.2686 7.2736 8.6584 8.6656 9.8114 9.8137 10.7834 10.7937 11.3897 11.3952 11.8718 11.9018 k = 0.4651-0.8106-0.4902 ( 7839 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.9035 -4.9031 -2.9306 -2.9305 0.4745 0.4801 2.3155 2.3470 2.7817 2.7849 3.2097 3.2314 3.5705 3.5862 3.7998 3.8009 4.0015 4.0033 4.2488 4.2968 4.4694 4.4816 4.6612 4.6816 4.8060 4.8168 4.8559 4.8724 4.9359 4.9360 5.0585 5.0610 5.1091 5.1144 5.2596 5.2774 5.5024 5.5163 5.6064 5.6623 5.7540 5.7702 5.9915 6.0152 7.2642 7.2679 8.6567 8.6621 9.8134 9.8153 10.7840 10.7914 11.3711 11.3749 11.9282 11.9561 k = 0.4767-0.8309-0.5024 ( 7845 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8446 -16.8445 -4.8962 -4.8960 -2.9264 -2.9264 0.4631 0.4668 2.3228 2.3437 2.7837 2.7859 3.2073 3.2218 3.5721 3.5829 3.7982 3.7990 4.0046 4.0059 4.2555 4.2881 4.4808 4.4894 4.6645 4.6785 4.8095 4.8206 4.8516 4.8691 4.9211 4.9240 5.0568 5.0584 5.1096 5.1134 5.2638 5.2757 5.5042 5.5146 5.6106 5.6507 5.7511 5.7620 5.9764 5.9938 7.2612 7.2638 8.6557 8.6592 9.8152 9.8164 10.7840 10.7888 11.3574 11.3599 11.9868 12.0113 k = 0.4884-0.8512-0.5147 ( 7842 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8918 -4.8917 -2.9239 -2.9239 0.4566 0.4584 2.3291 2.3396 2.7852 2.7863 3.2073 3.2146 3.5743 3.5798 3.7974 3.7977 4.0067 4.0074 4.2629 4.2794 4.4889 4.4933 4.6681 4.6752 4.8135 4.8208 4.8528 4.8647 4.9120 4.9149 5.0560 5.0567 5.1104 5.1123 5.2675 5.2734 5.5066 5.5122 5.6181 5.6391 5.7505 5.7561 5.9693 5.9785 7.2597 7.2610 8.6554 8.6572 9.8164 9.8170 10.7842 10.7866 11.3492 11.3504 12.0408 12.0581 k = 0.5000-0.8714-0.5270 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8446 -16.8446 -4.8903 -4.8903 -2.9231 -2.9231 0.4550 0.4550 2.3348 2.3348 2.7860 2.7860 3.2098 3.2098 3.5769 3.5769 3.7972 3.7972 4.0076 4.0076 4.2710 4.2710 4.4931 4.4931 4.6717 4.6717 4.8177 4.8177 4.8585 4.8585 4.9102 4.9102 5.0560 5.0560 5.1113 5.1113 5.2707 5.2707 5.5094 5.5094 5.6280 5.6280 5.7522 5.7522 5.9701 5.9701 7.2596 7.2596 8.6559 8.6559 9.8170 9.8170 10.7850 10.7850 11.3468 11.3468 12.0728 12.0728 k = 0.5000-0.8714-0.5270 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8446 -16.8446 -4.8903 -4.8903 -2.9231 -2.9231 0.4550 0.4550 2.3348 2.3348 2.7860 2.7860 3.2098 3.2098 3.5769 3.5769 3.7972 3.7972 4.0076 4.0076 4.2710 4.2710 4.4931 4.4931 4.6717 4.6717 4.8177 4.8177 4.8585 4.8585 4.9102 4.9102 5.0560 5.0560 5.1113 5.1113 5.2707 5.2707 5.5094 5.5094 5.6280 5.6280 5.7522 5.7522 5.9701 5.9701 7.2596 7.2596 8.6559 8.6559 9.8170 9.8170 10.7850 10.7850 11.3468 11.3468 12.0728 12.0728 k = 0.5000-0.8578-0.5495 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8579 -16.8445 -16.8445 -4.8899 -4.8898 -2.9228 -2.9227 0.4557 0.4570 2.3337 2.3358 2.7788 2.7825 3.2094 3.2161 3.5746 3.5792 3.7945 3.8010 4.0065 4.0091 4.2657 4.2761 4.4892 4.4949 4.6673 4.6744 4.8034 4.8268 4.8517 4.8633 4.9003 4.9169 5.0527 5.0613 5.1101 5.1151 5.2683 5.2751 5.5061 5.5132 5.6237 5.6322 5.7495 5.7525 5.9667 5.9742 7.2476 7.2598 8.6644 8.6694 9.8092 9.8289 10.7853 10.7978 11.3451 11.3506 12.0379 12.0829 k = 0.5000-0.8442-0.5720 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8889 -4.8887 -2.9220 -2.9217 0.4592 0.4617 2.3325 2.3367 2.7615 2.7684 3.2149 3.2278 3.5723 3.5814 3.7931 3.8057 4.0056 4.0109 4.2603 4.2809 4.4830 4.4943 4.6609 4.6756 4.7858 4.8248 4.8488 4.8641 4.8874 4.9207 5.0518 5.0684 5.1117 5.1212 5.2680 5.2812 5.5034 5.5174 5.6192 5.6366 5.7445 5.7504 5.9639 5.9788 7.2242 7.2480 8.6944 8.7046 9.8054 9.8441 10.7988 10.8230 11.3454 11.3570 11.9717 12.0515 k = 0.5000-0.8306-0.5945 ( 7838 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8870 -4.8868 -2.9205 -2.9200 0.4654 0.4691 2.3312 2.3375 2.7350 2.7449 3.2255 3.2437 3.5703 3.5835 3.7928 3.8113 4.0051 4.0130 4.2548 4.2856 4.4745 4.4913 4.6526 4.6752 4.7662 4.8120 4.8483 4.8618 4.8728 4.9224 5.0531 5.0770 5.1160 5.1290 5.2696 5.2884 5.5012 5.5218 5.6143 5.6411 5.7379 5.7462 5.9618 5.9839 7.1906 7.2253 8.7450 8.7606 9.8051 9.8612 10.8248 10.8594 11.3478 11.3666 11.8797 11.9489 k = 0.5000-0.8170-0.6170 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8845 -4.8841 -2.9184 -2.9178 0.4743 0.4793 2.3294 2.3381 2.7007 2.7133 3.2401 3.2626 3.5686 3.5856 3.7939 3.8178 4.0049 4.0154 4.2491 4.2899 4.4635 4.4857 4.6421 4.6735 4.7455 4.7950 4.8400 4.8563 4.8625 4.9227 5.0563 5.0866 5.1225 5.1382 5.2727 5.2959 5.4997 5.5263 5.6088 5.6459 5.7301 5.7404 5.9602 5.9892 7.1485 7.1930 8.8150 8.8363 9.8071 9.8787 10.8620 10.9045 11.3527 11.3806 11.7764 11.8297 k = 0.5000-0.8034-0.6395 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8446 -16.8445 -4.8813 -4.8808 -2.9158 -2.9150 0.4858 0.4922 2.3268 2.3381 2.6595 2.6752 3.2576 3.2835 3.5675 3.5877 3.7962 3.8250 4.0051 4.0180 4.2434 4.2938 4.4499 4.4771 4.6292 4.6704 4.7251 4.7762 4.8244 4.8420 4.8616 4.9220 5.0610 5.0972 5.1308 5.1485 5.2768 5.3032 5.4987 5.5308 5.6024 5.6511 5.7218 5.7339 5.9590 5.9946 7.0997 7.1528 8.9026 8.9301 9.8099 9.8950 10.9072 10.9538 11.3604 11.4012 11.6727 11.7114 k = 0.5000-0.7898-0.6620 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0302 -16.8580 -16.8580 -16.8446 -16.8445 -4.8774 -4.8768 -2.9126 -2.9117 0.5001 0.5079 2.3226 2.3372 2.6128 2.6325 3.2771 3.3056 3.5672 3.5899 3.7998 3.8329 4.0055 4.0210 4.2376 4.2972 4.4334 4.4653 4.6141 4.6660 4.7064 4.7568 4.8058 4.8261 4.8601 4.9203 5.0669 5.1084 5.1403 5.1597 5.2815 5.3098 5.4981 5.5350 5.5951 5.6567 5.7134 5.7273 5.9582 6.0001 7.0461 7.1066 9.0057 9.0402 9.8123 9.9089 10.9550 10.9999 11.3703 11.4314 11.5745 11.6039 k = 0.5000-0.7762-0.6845 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8580 -16.8446 -16.8446 -4.8729 -4.8723 -2.9089 -2.9078 0.5169 0.5262 2.3157 2.3346 2.5619 2.5871 3.2979 3.3283 3.5676 3.5925 3.8046 3.8416 4.0062 4.0242 4.2318 4.2998 4.4142 4.4503 4.5972 4.6601 4.6905 4.7377 4.7864 4.8091 4.8573 4.9177 5.0736 5.1199 5.1506 5.1715 5.2864 5.3153 5.4978 5.5388 5.5869 5.6627 5.7052 5.7214 5.9578 6.0058 6.9896 7.0562 9.1219 9.1644 9.8132 9.9199 10.9970 11.0322 11.3714 11.4599 11.4923 11.5375 k = 0.5000-0.7626-0.7070 ( 7838 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8580 -16.8446 -16.8446 -4.8678 -4.8671 -2.9048 -2.9035 0.5363 0.5472 2.3038 2.3287 2.5089 2.5419 3.3195 3.3513 3.5690 3.5954 3.8106 3.8509 4.0071 4.0276 4.2260 4.3011 4.3930 4.4318 4.5793 4.6524 4.6780 4.7193 4.7672 4.7912 4.8530 4.9143 5.0808 5.1313 5.1614 5.1839 5.2912 5.3196 5.4973 5.5422 5.5781 5.6688 5.6974 5.7164 5.9581 6.0116 6.9317 7.0032 9.2479 9.3002 9.8124 9.9286 11.0189 11.0448 11.3371 11.3816 11.5362 11.5501 k = 0.5000-0.7490-0.7295 ( 7838 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8580 -16.8446 -16.8446 -4.8623 -4.8615 -2.9002 -2.8988 0.5583 0.5709 2.2834 2.3157 2.4583 2.5008 3.3416 3.3743 3.5714 3.5989 3.8177 3.8609 4.0083 4.0312 4.2201 4.2999 4.3713 4.4101 4.5615 4.6434 4.6681 4.7017 4.7489 4.7727 4.8475 4.9101 5.0884 5.1423 5.1724 5.1968 5.2955 5.3229 5.4958 5.5450 5.5696 5.6748 5.6902 5.7126 5.9591 6.0176 6.8740 6.9493 9.3782 9.4424 9.8121 9.9379 11.0010 11.0462 11.2703 11.3240 11.5950 11.6258 k = 0.5000-0.7354-0.7520 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8581 -16.8446 -16.8446 -4.8563 -4.8554 -2.8953 -2.8938 0.5827 0.5972 2.2505 2.2880 2.4184 2.4682 3.3640 3.3971 3.5748 3.6031 3.8258 3.8716 4.0098 4.0350 4.2143 4.2938 4.3522 4.3858 4.5441 4.6339 4.6588 4.6852 4.7322 4.7542 4.8409 4.9052 5.0961 5.1523 5.1836 5.2102 5.2989 5.3254 5.4926 5.5471 5.5625 5.6791 5.6852 5.7097 5.9614 6.0241 6.8177 6.8957 9.5021 9.5761 9.8249 9.9562 10.9554 11.0259 11.2076 11.2867 11.6690 11.7113 k = 0.5000-0.7218-0.7745 ( 7828 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8581 -16.8446 -16.8446 -4.8499 -4.8489 -2.8901 -2.8884 0.6096 0.6261 2.2037 2.2404 2.3950 2.4460 3.3865 3.4196 3.5790 3.6079 3.8348 3.8830 4.0113 4.0389 4.2082 4.2797 4.3399 4.3596 4.5275 4.6246 4.6470 4.6710 4.7178 4.7359 4.8335 4.8997 5.1038 5.1611 5.1950 5.2239 5.3010 5.3279 5.4867 5.5484 5.5579 5.6760 5.6877 5.7075 5.9653 6.0311 6.7639 6.8434 9.5985 9.6551 9.8948 10.0025 10.8989 10.9800 11.1644 11.2556 11.7388 11.7859 k = 0.5000-0.7081-0.7970 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0303 -16.8582 -16.8581 -16.8446 -16.8446 -4.8432 -4.8422 -2.8847 -2.8829 0.6387 0.6576 2.1452 2.1782 2.3836 2.4323 3.4091 3.4417 3.5841 3.6133 3.8447 3.8949 4.0130 4.0429 4.2017 4.2590 4.3324 4.3342 4.5113 4.6157 4.6310 4.6603 4.7060 4.7182 4.8253 4.8937 5.1113 5.1686 5.2065 5.2376 5.3015 5.3307 5.4780 5.5490 5.5559 5.6711 5.6915 5.7060 5.9711 6.0388 6.7134 6.7933 9.6442 9.6605 10.0388 10.0980 10.8410 10.9200 11.1337 11.2262 11.7905 11.8347 k = 0.5000-0.6945-0.8195 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0303 -16.8582 -16.8581 -16.8446 -16.8446 -4.8364 -4.8352 -2.8791 -2.8772 0.6701 0.6917 2.0783 2.1083 2.3777 2.4242 3.4316 3.4635 3.5897 3.6194 3.8550 3.9070 4.0148 4.0470 4.1938 4.2367 4.3049 4.3318 4.4951 4.6060 4.6130 4.6515 4.6961 4.7024 4.8166 4.8872 5.1185 5.1748 5.2179 5.2510 5.3007 5.3343 5.4669 5.5499 5.5553 5.6668 5.6940 5.7051 5.9792 6.0475 6.6667 6.7460 9.6319 9.6436 10.2135 10.2387 10.7860 10.8567 11.1081 11.1981 11.8250 11.8638 k = 0.5000-0.6809-0.8420 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0304 -16.8582 -16.8582 -16.8447 -16.8446 -4.8294 -4.8282 -2.8735 -2.8714 0.7036 0.7282 2.0061 2.0348 2.3743 2.4193 3.4540 3.4848 3.5959 3.6262 3.8656 3.9189 4.0167 4.0512 4.1824 4.2182 4.2780 4.3305 4.4787 4.5875 4.6022 4.6433 4.6836 4.6929 4.8075 4.8805 5.1254 5.1798 5.2288 5.2632 5.2998 5.3386 5.4545 5.5512 5.5549 5.6631 5.6946 5.7052 5.9898 6.0571 6.6243 6.7019 9.5897 9.6128 10.3902 10.4115 10.7363 10.7939 11.0865 11.1745 11.8507 11.8862 k = 0.5000-0.6673-0.8645 ( 7842 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0304 -16.8583 -16.8582 -16.8447 -16.8446 -4.8224 -4.8212 -2.8678 -2.8657 0.7391 0.7672 1.9304 1.9595 2.3720 2.4160 3.4762 3.5057 3.6024 3.6335 3.8760 3.9294 4.0189 4.0555 4.1664 4.2067 4.2525 4.3297 4.4617 4.5648 4.5950 4.6352 4.6700 4.6883 4.7981 4.8736 5.1318 5.1837 5.2388 5.2724 5.3011 5.3432 5.4414 5.5527 5.5542 5.6599 5.6938 5.7058 6.0029 6.0679 6.5864 6.6613 9.5380 9.5656 10.5501 10.5988 10.7013 10.7320 11.0723 11.1634 11.8741 11.9090 k = 0.5000-0.6537-0.8870 ( 7836 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0304 -16.8583 -16.8582 -16.8447 -16.8446 -4.8156 -4.8143 -2.8623 -2.8600 0.7762 0.8085 1.8528 1.8840 2.3701 2.4136 3.4981 3.5262 3.6093 3.6415 3.8855 3.9367 4.0220 4.0601 4.1494 4.2001 4.2295 4.3288 4.4438 4.5409 4.5884 4.6271 4.6579 4.6856 4.7888 4.8668 5.1377 5.1868 5.2472 5.2768 5.3074 5.3482 5.4283 5.5529 5.5540 5.6572 5.6924 5.7066 6.0184 6.0797 6.5528 6.6241 9.4800 9.5085 10.6039 10.6687 10.7369 10.8000 11.0767 11.1825 11.8985 11.9351 k = 0.5000-0.6401-0.9095 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0304 -16.8583 -16.8583 -16.8447 -16.8446 -4.8090 -4.8076 -2.8570 -2.8546 0.8147 0.8522 1.7744 1.8093 2.3682 2.4115 3.5191 3.5462 3.6166 3.6502 3.8933 3.9382 4.0270 4.0651 4.1355 4.1954 4.2106 4.3278 4.4249 4.5164 4.5822 4.6194 4.6479 4.6841 4.7797 4.8602 5.1431 5.1892 5.2528 5.2788 5.3174 5.3534 5.4157 5.5512 5.5548 5.6549 5.6911 5.7077 6.0360 6.0927 6.5235 6.5903 9.4178 9.4456 10.5626 10.6046 10.8397 10.9290 11.1447 11.2606 11.9250 11.9655 k = 0.5000-0.6265-0.9320 ( 7850 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0305 -16.8584 -16.8583 -16.8447 -16.8447 -4.8027 -4.8013 -2.8520 -2.8495 0.8542 0.8980 1.6961 1.7364 2.3661 2.4093 3.5386 3.5660 3.6244 3.6598 3.8985 3.9321 4.0343 4.0707 4.1266 4.1878 4.2008 4.3266 4.4049 4.4916 4.5761 4.6121 4.6401 4.6832 4.7710 4.8539 5.1479 5.1910 5.2543 5.2821 5.3284 5.3588 5.4039 5.5488 5.5548 5.6528 5.6902 5.7095 6.0555 6.1067 6.4980 6.5598 9.3535 9.3798 10.5089 10.5381 10.8964 10.9695 11.3118 11.4064 11.9543 12.0014 k = 0.5000-0.6129-0.9545 ( 7854 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0305 -16.8584 -16.8583 -16.8447 -16.8447 -4.7969 -4.7955 -2.8473 -2.8448 0.8940 0.9460 1.6187 1.6667 2.3638 2.4070 3.5558 3.5855 3.6330 3.6706 3.9003 3.9191 4.0429 4.0767 4.1235 4.1784 4.2000 4.3253 4.3841 4.4668 4.5703 4.6055 4.6344 4.6828 4.7631 4.8483 5.1521 5.1923 5.2528 5.2871 5.3389 5.3643 5.3932 5.5459 5.5540 5.6507 5.6902 5.7122 6.0765 6.1216 6.4761 6.5323 9.2887 9.3134 10.4495 10.4692 10.9260 10.9813 11.5131 11.5936 11.9863 12.0449 k = 0.5000-0.5993-0.9770 ( 7852 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8447 -4.7917 -4.7903 -2.8431 -2.8405 0.9330 0.9959 1.5429 1.6014 2.3612 2.4042 3.5702 3.6042 3.6431 3.6827 3.8981 3.9011 4.0511 4.0821 4.1258 4.1729 4.2032 4.3240 4.3628 4.4421 4.5649 4.5997 4.6305 4.6826 4.7562 4.8435 5.1557 5.1933 5.2500 5.2926 5.3480 5.3699 5.3839 5.5428 5.5524 5.6487 5.6915 5.7160 6.0986 6.1374 6.4571 6.5078 9.2249 9.2481 10.3861 10.3987 10.9471 10.9906 11.7145 11.7986 12.0218 12.1018 k = 0.5000-0.5857-0.9995 ( 7854 PWs) bands (ev): -44.9827 -44.9827 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7873 -4.7858 -2.8396 -2.8369 0.9697 1.0474 1.4696 1.5428 2.3582 2.4011 3.5817 3.6205 3.6555 3.6962 3.8794 3.8933 4.0582 4.0857 4.1324 4.1725 4.2097 4.3224 4.3419 4.4181 4.5600 4.5948 4.6279 4.6823 4.7506 4.8398 5.1586 5.1939 5.2471 5.2977 5.3544 5.3754 5.3772 5.5396 5.5503 5.6468 5.6943 5.7210 6.1214 6.1541 6.4405 6.4859 9.1635 9.1854 10.3197 10.3274 10.9670 11.0029 11.8918 11.9979 12.0715 12.1884 k = 0.5000-0.5721-1.0220 ( 7856 PWs) bands (ev): -44.9827 -44.9827 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7837 -4.7822 -2.8367 -2.8340 1.0016 1.1001 1.3997 1.4936 2.3548 2.3975 3.5908 3.6329 3.6706 3.7110 3.8566 3.8860 4.0639 4.0876 4.1400 4.1771 4.2193 4.3158 4.3274 4.3954 4.5560 4.5908 4.6264 4.6820 4.7467 4.8373 5.1608 5.1944 5.2446 5.3022 5.3558 5.3740 5.3813 5.5367 5.5479 5.6448 5.6988 5.7272 6.1444 6.1715 6.4258 6.4667 9.1056 9.1264 10.2513 10.2563 10.9884 11.0188 12.0160 12.0801 12.2370 12.3286 k = 0.5000-0.5585-1.0445 ( 7846 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7811 -4.7796 -2.8345 -2.8318 1.0250 1.1520 1.3354 1.4578 2.3511 2.3935 3.5980 3.6420 3.6861 3.7271 3.8336 3.8785 4.0683 4.0882 4.1460 4.1844 4.2305 4.2997 4.3261 4.3752 4.5529 4.5878 4.6257 4.6815 4.7445 4.8362 5.1622 5.1946 5.2428 5.3061 5.3524 5.3745 5.3870 5.5345 5.5457 5.6431 5.7049 5.7342 6.1670 6.1902 6.4122 6.4501 9.0521 9.0722 10.1817 10.1865 11.0116 11.0382 12.0932 12.1190 12.4293 12.5085 k = 0.5000-0.5449-1.0670 ( 7846 PWs) bands (ev): -44.9826 -44.9826 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7797 -4.7782 -2.8333 -2.8305 1.0356 1.1927 1.2875 1.4399 2.3470 2.3892 3.6037 3.6487 3.6986 3.7449 3.8113 3.8727 4.0715 4.0878 4.1502 4.1895 4.2398 4.2876 4.3292 4.3598 4.5507 4.5858 4.6255 4.6813 4.7443 4.8365 5.1629 5.1947 5.2418 5.3091 5.3478 5.3747 5.3926 5.5331 5.5441 5.6415 5.7125 5.7421 6.1881 6.2106 6.3992 6.4363 9.0038 9.0235 10.1125 10.1182 11.0367 11.0605 12.1479 12.1540 12.5787 12.6866 k = 0.5000-0.5313-1.0895 ( 7846 PWs) bands (ev): -44.9826 -44.9826 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7795 -4.7780 -2.8330 -2.8302 1.0313 1.1791 1.2992 1.4424 2.3428 2.3846 3.6078 3.6540 3.7057 3.7640 3.7912 3.8704 4.0732 4.0863 4.1531 4.1875 4.2419 4.2852 4.3368 4.3522 4.5495 4.5848 4.6258 4.6814 4.7459 4.8383 5.1629 5.1948 5.2414 5.3112 5.3437 5.3731 5.3981 5.5326 5.5436 5.6404 5.7216 5.7504 6.2071 6.2331 6.3864 6.4253 8.9615 8.9809 10.0448 10.0517 11.0633 11.0849 12.1810 12.1946 12.6465 12.8013 k = 0.5000-0.5177-1.1120 ( 7840 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7807 -4.7792 -2.8337 -2.8310 1.0140 1.1312 1.3507 1.4635 2.3384 2.3799 3.6100 3.6583 3.7073 3.7676 3.7901 3.8722 4.0730 4.0835 4.1532 4.1792 4.2355 4.2901 4.3500 4.3552 4.5493 4.5849 4.6266 4.6823 4.7491 4.8415 5.1623 5.1947 5.2415 5.3120 5.3413 5.3694 5.4031 5.5329 5.5447 5.6397 5.7319 5.7590 6.2241 6.2572 6.3737 6.4172 8.9256 8.9448 9.9796 9.9874 11.0907 11.1106 12.2006 12.2297 12.6461 12.7588 k = 0.5000-0.5040-1.1345 ( 7840 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8447 -4.7834 -4.7819 -2.8355 -2.8328 0.9882 1.0813 1.4099 1.4987 2.3340 2.3752 3.6095 3.6622 3.7044 3.7535 3.8108 3.8774 4.0704 4.0790 4.1455 4.1730 4.2249 4.2966 4.3639 4.3719 4.5501 4.5861 4.6282 4.6842 4.7538 4.8459 5.1611 5.1945 5.2418 5.3111 5.3413 5.3640 5.4074 5.5338 5.5477 5.6398 5.7433 5.7677 6.2392 6.2823 6.3613 6.4119 8.8965 8.9157 9.9174 9.9260 11.1184 11.1369 12.2051 12.2517 12.6218 12.6943 k = 0.8172-0.4195-0.9733 ( 7840 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8447 -4.7834 -4.7819 -2.8355 -2.8328 0.9882 1.0813 1.4099 1.4987 2.3340 2.3752 3.6095 3.6622 3.7044 3.7535 3.8108 3.8774 4.0704 4.0790 4.1455 4.1730 4.2249 4.2966 4.3639 4.3719 4.5501 4.5861 4.6282 4.6842 4.7538 4.8459 5.1611 5.1945 5.2418 5.3111 5.3413 5.3640 5.4074 5.5338 5.5477 5.6398 5.7433 5.7677 6.2392 6.2823 6.3613 6.4119 8.8965 8.9157 9.9174 9.9260 11.1184 11.1369 12.2051 12.2517 12.6218 12.6943 k = 0.8104-0.4078-0.9509 ( 7840 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8446 -4.7876 -4.7861 -2.8385 -2.8358 0.9587 1.0346 1.4715 1.5432 2.3296 2.3708 3.6056 3.6662 3.6974 3.7435 3.8324 3.8842 4.0651 4.0722 4.1308 4.1696 4.2161 4.3028 4.3809 4.3949 4.5521 4.5884 4.6309 4.6873 4.7599 4.8516 5.1593 5.1944 5.2418 5.3089 5.3433 5.3574 5.4107 5.5352 5.5527 5.6408 5.7553 5.7760 6.2523 6.3080 6.3497 6.4096 8.8746 8.8938 9.8591 9.8681 11.1455 11.1627 12.1898 12.2541 12.5837 12.6365 k = 0.8037-0.3960-0.9285 ( 7832 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8584 -16.8583 -16.8447 -16.8446 -4.7935 -4.7921 -2.8427 -2.8400 0.9287 0.9922 1.5344 1.5939 2.3254 2.3667 3.5983 3.6704 3.6874 3.7397 3.8534 3.8910 4.0565 4.0627 4.1156 4.1623 4.2145 4.3087 4.4010 4.4195 4.5553 4.5920 4.6348 4.6917 4.7672 4.8582 5.1571 5.1942 5.2410 5.3063 5.3449 5.3521 5.4130 5.5372 5.5596 5.6431 5.7678 5.7838 6.2631 6.3338 6.3398 6.4106 8.8599 8.8790 9.8047 9.8141 11.1709 11.1873 12.1546 12.2331 12.4980 12.5546 k = 0.7969-0.3842-0.9061 ( 7828 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8583 -16.8583 -16.8447 -16.8446 -4.8012 -4.7998 -2.8481 -2.8456 0.9002 0.9545 1.5982 1.6487 2.3216 2.3631 3.5884 3.6683 3.6828 3.7408 3.8733 3.8962 4.0436 4.0515 4.1023 4.1511 4.2199 4.3146 4.4224 4.4443 4.5601 4.5972 4.6403 4.6974 4.7756 4.8657 5.1545 5.1939 5.2389 5.3037 5.3395 5.3549 5.4143 5.5397 5.5685 5.6470 5.7804 5.7908 6.2712 6.3302 6.3612 6.4152 8.8522 8.8713 9.7548 9.7644 11.1935 11.2094 12.1046 12.1930 12.3867 12.4399 k = 0.7902-0.3725-0.8836 ( 7828 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0304 -16.8583 -16.8582 -16.8447 -16.8446 -4.8107 -4.8092 -2.8548 -2.8524 0.8746 0.9218 1.6622 1.7059 2.3182 2.3603 3.5771 3.6564 3.6887 3.7450 3.8912 3.8985 4.0267 4.0401 4.0910 4.1393 4.2292 4.3211 4.4438 4.4679 4.5670 4.6042 4.6475 4.7043 4.7852 4.8738 5.1515 5.1936 5.2355 5.3008 5.3328 5.3603 5.4149 5.5425 5.5795 5.6528 5.7924 5.7975 6.2765 6.3234 6.3885 6.4236 8.8517 8.8706 9.7097 9.7194 11.2115 11.2278 12.0457 12.1430 12.2701 12.3223 k = 0.7834-0.3607-0.8612 ( 7830 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0304 -16.8583 -16.8582 -16.8447 -16.8446 -4.8220 -4.8205 -2.8629 -2.8605 0.8526 0.8942 1.7260 1.7647 2.3155 2.3584 3.5654 3.6435 3.6972 3.7511 3.8948 3.9088 4.0079 4.0297 4.0809 4.1286 4.2406 4.3280 4.4640 4.4896 4.5765 4.6135 4.6567 4.7125 4.7959 4.8824 5.1481 5.1932 5.2307 5.2966 5.3279 5.3655 5.4157 5.5456 5.5924 5.6607 5.8000 5.8072 6.2795 6.3187 6.4164 6.4360 8.8579 8.8766 9.6698 9.6796 11.2228 11.2414 11.9810 12.0907 12.1531 12.2101 k = 0.7767-0.3490-0.8388 ( 7832 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0303 -16.8582 -16.8581 -16.8447 -16.8446 -4.8351 -4.8337 -2.8723 -2.8700 0.8349 0.8720 1.7892 1.8241 2.3137 2.3576 3.5541 3.6314 3.7068 3.7585 3.8869 3.9225 3.9883 4.0216 4.0712 4.1195 4.2531 4.3353 4.4819 4.5089 4.5888 4.6254 4.6681 4.7217 4.8078 4.8914 5.1442 5.1926 5.2249 5.2903 5.3256 5.3688 5.4183 5.5490 5.6075 5.6708 5.8038 5.8191 6.2812 6.3163 6.4445 6.4523 8.8707 8.8890 9.6355 9.6453 11.2253 11.2486 11.9095 12.0323 12.0448 12.1123 k = 0.7699-0.3372-0.8164 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0303 -16.8581 -16.8581 -16.8447 -16.8446 -4.8501 -4.8487 -2.8830 -2.8808 0.8216 0.8552 1.8509 1.8833 2.3130 2.3582 3.5437 3.6208 3.7168 3.7665 3.8741 3.9324 3.9699 4.0164 4.0616 4.1122 4.2660 4.3430 4.4971 4.5261 4.6035 4.6396 4.6821 4.7317 4.8210 4.9007 5.1399 5.1916 5.2187 5.2825 5.3254 5.3686 5.4241 5.5531 5.6247 5.6831 5.8061 5.8310 6.2826 6.3157 6.4683 6.4771 8.8895 8.9075 9.6069 9.6169 11.2171 11.2477 11.8262 11.9203 11.9933 12.0422 k = 0.7632-0.3254-0.7939 ( 7822 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0302 -16.8580 -16.8580 -16.8447 -16.8446 -4.8669 -4.8655 -2.8950 -2.8929 0.8130 0.8438 1.9105 1.9416 2.3139 2.3604 3.5347 3.6119 3.7270 3.7746 3.8581 3.9314 3.9596 4.0136 4.0523 4.1065 4.2790 4.3508 4.5098 4.5417 4.6198 4.6553 4.6992 4.7425 4.8357 4.9101 5.1351 5.1901 5.2123 5.2741 5.3258 5.3647 5.4336 5.5581 5.6438 5.6972 5.8076 5.8428 6.2846 6.3168 6.4900 6.5078 8.9139 8.9316 9.5844 9.5948 11.1969 11.2374 11.7298 11.8067 11.9501 12.0025 k = 0.7564-0.3137-0.7715 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0302 -16.8580 -16.8579 -16.8447 -16.8446 -4.8855 -4.8841 -2.9083 -2.9063 0.8092 0.8378 1.9669 1.9981 2.3169 2.3645 3.5272 3.6050 3.7367 3.7823 3.8410 3.9168 3.9605 4.0120 4.0435 4.1024 4.2915 4.3586 4.5208 4.5560 4.6369 4.6715 4.7194 4.7538 4.8518 4.9196 5.1298 5.1878 5.2064 5.2657 5.3261 5.3579 5.4462 5.5646 5.6648 5.7124 5.8093 5.8547 6.2878 6.3193 6.5137 6.5406 8.9435 8.9609 9.5680 9.5794 11.1643 11.2172 11.6249 11.6960 11.9198 11.9821 k = 0.7497-0.3019-0.7491 ( 7828 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0301 -16.8579 -16.8578 -16.8447 -16.8446 -4.9058 -4.9044 -2.9228 -2.9210 0.8102 0.8372 2.0187 2.0516 2.3230 2.3710 3.5216 3.6003 3.7448 3.7878 3.8259 3.8992 3.9623 4.0106 4.0365 4.0998 4.3034 4.3662 4.5309 4.5692 4.6546 4.6873 4.7423 4.7659 4.8694 4.9293 5.1238 5.1843 5.2013 5.2578 5.3256 5.3490 5.4611 5.5729 5.6873 5.7274 5.8125 5.8670 6.2922 6.3230 6.5397 6.5753 8.9774 8.9949 9.5580 9.5708 11.1198 11.1879 11.5163 11.5894 11.9027 11.9743 k = 0.7429-0.2901-0.7267 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8577 -16.8577 -16.8446 -16.8446 -4.9277 -4.9264 -2.9386 -2.9368 0.8159 0.8418 2.0646 2.1008 2.3332 2.3804 3.5181 3.5979 3.7493 3.7879 3.8182 3.8831 3.9613 4.0074 4.0328 4.0986 4.3145 4.3736 4.5409 4.5815 4.6722 4.7027 4.7660 4.7798 4.8884 4.9392 5.1174 5.1797 5.1973 5.2506 5.3239 5.3388 5.4778 5.5834 5.7110 5.7400 5.8199 5.8804 6.2977 6.3277 6.5681 6.6120 9.0151 9.0334 9.5544 9.5693 11.0647 11.1507 11.4069 11.4885 11.8958 11.9755 k = 0.7362-0.2784-0.7042 ( 7822 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8576 -16.8576 -16.8447 -16.8445 -4.9512 -4.9499 -2.9554 -2.9538 0.8263 0.8518 2.1026 2.1442 2.3489 2.3935 3.5167 3.5979 3.7467 3.7831 3.8202 3.8704 3.9573 4.0019 4.0330 4.0987 4.3244 4.3805 4.5513 4.5931 4.6895 4.7177 4.7853 4.8000 4.9085 4.9495 5.1104 5.1744 5.1940 5.2442 5.3211 5.3279 5.4960 5.5964 5.7353 5.7484 5.8337 5.8958 6.3040 6.3331 6.5989 6.6509 9.0559 9.0758 9.5571 9.5749 11.0002 11.1073 11.2986 11.3942 11.8961 11.9832 k = 0.7294-0.2666-0.6818 ( 7834 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0299 -16.8576 -16.8575 -16.8447 -16.8446 -4.9761 -4.9748 -2.9734 -2.9719 0.8412 0.8668 2.1318 2.1806 2.3707 2.4106 3.5174 3.6003 3.7371 3.7784 3.8266 3.8623 3.9506 3.9956 4.0356 4.0996 4.3330 4.3870 4.5622 4.6040 4.7061 4.7323 4.8002 4.8262 4.9294 4.9604 5.1030 5.1690 5.1910 5.2386 5.3156 5.3183 5.5154 5.6117 5.7524 5.7596 5.8545 5.9142 6.3108 6.3389 6.6325 6.6921 9.0993 9.1219 9.5662 9.5877 10.9279 11.0580 11.1940 11.3073 11.9012 11.9952 k = 0.7227-0.2549-0.6594 ( 7836 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0298 -16.8574 -16.8574 -16.8447 -16.8446 -5.0024 -5.0010 -2.9923 -2.9909 0.8605 0.8867 2.1520 2.2093 2.3980 2.4319 3.5203 3.6047 3.7248 3.7730 3.8347 3.8584 3.9420 3.9897 4.0392 4.1013 4.3403 4.3930 4.5737 4.6143 4.7219 4.7466 4.8146 4.8537 4.9503 4.9727 5.0952 5.1639 5.1883 5.2337 5.3051 5.3133 5.5359 5.6294 5.7540 5.7834 5.8809 5.9365 6.3176 6.3449 6.6688 6.7358 9.1447 9.1713 9.5814 9.6072 10.8490 11.0000 11.0982 11.2281 11.9089 12.0095 k = 0.7159-0.2431-0.6370 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0298 -16.8573 -16.8573 -16.8447 -16.8446 -5.0298 -5.0284 -3.0122 -3.0109 0.8839 0.9115 2.1646 2.2308 2.4288 2.4563 3.5249 3.6106 3.7135 3.7666 3.8431 3.8577 3.9323 3.9851 4.0430 4.1033 4.3462 4.3984 4.5857 4.6240 4.7368 4.7604 4.8297 4.8812 4.9702 4.9875 5.0872 5.1594 5.1856 5.2293 5.2945 5.3084 5.5573 5.6490 5.7554 5.8061 5.9116 5.9637 6.3242 6.3508 6.7080 6.7819 9.1920 9.2235 9.6024 9.6330 10.7651 10.9249 11.0216 11.1568 11.9177 12.0247 k = 0.7092-0.2313-0.6145 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0297 -16.8572 -16.8571 -16.8447 -16.8446 -5.0582 -5.0569 -3.0328 -3.0316 0.9113 0.9407 2.1713 2.2464 2.4606 2.4823 3.5310 3.6165 3.7058 3.7608 3.8492 3.8598 3.9226 3.9824 4.0467 4.1057 4.3507 4.4033 4.5982 4.6331 4.7507 4.7736 4.8455 4.9079 4.9880 5.0058 5.0792 5.1558 5.1831 5.2254 5.2850 5.3035 5.5794 5.6697 5.7585 5.8281 5.9461 5.9960 6.3303 6.3563 6.7500 6.8303 9.2411 9.2783 9.6284 9.6642 10.6777 10.8335 10.9651 11.0932 11.9265 12.0397 k = 0.7024-0.2196-0.5921 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0298 -17.0296 -16.8570 -16.8570 -16.8447 -16.8446 -5.0876 -5.0862 -3.0542 -3.0531 0.9424 0.9743 2.1737 2.2573 2.4913 2.5082 3.5379 3.6204 3.7038 3.7573 3.8508 3.8645 3.9144 3.9818 4.0501 4.1082 4.3539 4.4077 4.6109 4.6416 4.7637 4.7861 4.8618 4.9329 5.0052 5.0264 5.0714 5.1535 5.1807 5.2218 5.2769 5.2992 5.6019 5.6897 5.7658 5.8500 5.9838 6.0333 6.3358 6.3615 6.7949 6.8810 9.2918 9.3354 9.6586 9.6998 10.5884 10.7359 10.9199 11.0369 11.9343 12.0533 k = 0.6957-0.2078-0.5697 ( 7852 PWs) bands (ev): -44.9827 -44.9827 -17.0297 -17.0295 -16.8569 -16.8568 -16.8447 -16.8446 -5.1176 -5.1162 -3.0762 -3.0751 0.9770 1.0120 2.1729 2.2647 2.5195 2.5325 3.5446 3.6206 3.7088 3.7574 3.8497 3.8670 3.9104 3.9834 4.0530 4.1107 4.3558 4.4116 4.6235 4.6496 4.7761 4.7975 4.8786 4.9553 5.0231 5.0470 5.0645 5.1528 5.1785 5.2187 5.2708 5.2956 5.6246 5.7066 5.7804 5.8728 6.0246 6.0750 6.3404 6.3663 6.8424 6.9338 9.3443 9.3948 9.6917 9.7385 10.4983 10.6379 10.8820 10.9880 11.9406 12.0649 k = 0.6890-0.1961-0.5473 ( 7852 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0294 -16.8567 -16.8567 -16.8447 -16.8446 -5.1482 -5.1469 -3.0987 -3.0977 1.0148 1.0534 2.1696 2.2696 2.5443 2.5544 3.5502 3.6170 3.7196 3.7627 3.8476 3.8645 3.9124 3.9871 4.0554 4.1133 4.3567 4.4152 4.6355 4.6573 4.7879 4.8077 4.8953 4.9748 5.0395 5.0581 5.0698 5.1539 5.1768 5.2164 5.2670 5.2933 5.6473 5.7193 5.8041 5.8974 6.0683 6.1208 6.3443 6.3710 6.8924 6.9884 9.3983 9.4564 9.7262 9.7787 10.4090 10.5417 10.8504 10.9466 11.9450 12.0739 k = 0.6822-0.1843-0.5249 ( 7858 PWs) bands (ev): -44.9827 -44.9827 -17.0295 -17.0294 -16.8566 -16.8565 -16.8447 -16.8446 -5.1793 -5.1779 -3.1215 -3.1206 1.0555 1.0983 2.1643 2.2726 2.5654 2.5731 3.5538 3.6111 3.7332 3.7743 3.8451 3.8589 3.9185 3.9927 4.0574 4.1159 4.3566 4.4186 4.6464 4.6652 4.7991 4.8164 4.9118 4.9916 5.0425 5.0662 5.0909 5.1562 5.1761 5.2161 5.2658 5.2925 5.6696 5.7297 5.8356 5.9249 6.1144 6.1701 6.3473 6.3762 6.9446 7.0444 9.4537 9.5203 9.7599 9.8184 10.3217 10.4487 10.8257 10.9130 11.9472 12.0796 k = 0.6755-0.1725-0.5024 ( 7860 PWs) bands (ev): -44.9827 -44.9827 -17.0294 -17.0293 -16.8564 -16.8564 -16.8447 -16.8446 -5.2106 -5.2092 -3.1447 -3.1438 1.0986 1.1463 2.1574 2.2740 2.5825 2.5884 3.5547 3.6037 3.7474 3.7918 3.8424 3.8540 3.9261 4.0000 4.0589 4.1185 4.3561 4.4219 4.6553 4.6740 4.8097 4.8236 4.9275 5.0063 5.0372 5.0771 5.1149 5.1577 5.1778 5.2195 5.2675 5.2935 5.6914 5.7403 5.8731 5.9559 6.1622 6.2224 6.3498 6.3828 6.9986 7.1017 9.5096 9.5865 9.7901 9.8552 10.2383 10.3609 10.8083 10.8878 11.9470 12.0816 k = 0.6687-0.1608-0.4800 ( 7858 PWs) bands (ev): -44.9827 -44.9827 -17.0293 -17.0292 -16.8562 -16.8562 -16.8447 -16.8446 -5.2420 -5.2406 -3.1680 -3.1672 1.1439 1.1973 2.1491 2.2743 2.5959 2.6003 3.5527 3.5950 3.7615 3.8131 3.8392 3.8531 3.9338 4.0086 4.0599 4.1212 4.3554 4.4255 4.6622 4.6835 4.8197 4.8293 4.9420 5.0193 5.0313 5.0836 5.1397 5.1573 5.1813 5.2289 5.2720 5.2963 5.7125 5.7532 5.9154 5.9910 6.2103 6.2765 6.3523 6.3933 7.0541 7.1598 9.5644 9.6550 9.8134 9.8859 10.1620 10.2813 10.7987 10.8716 11.9442 12.0793 k = 0.6620-0.1490-0.4576 ( 7850 PWs) bands (ev): -44.9827 -44.9827 -17.0292 -17.0291 -16.8560 -16.8560 -16.8447 -16.8445 -5.2733 -5.2720 -3.1914 -3.1906 1.1910 1.2508 2.1395 2.2739 2.6057 2.6090 3.5477 3.5850 3.7751 3.8328 3.8385 3.8583 3.9412 4.0181 4.0605 4.1241 4.3549 4.4297 4.6675 4.6932 4.8284 4.8341 4.9547 5.0252 5.0317 5.0864 5.1504 5.1647 5.1892 5.2442 5.2795 5.3012 5.7330 5.7695 5.9619 6.0303 6.2551 6.3265 6.3599 6.4121 7.1106 7.2183 9.6135 9.7255 9.8269 9.9045 10.0990 10.2147 10.7973 10.8653 11.9387 12.0724 k = 0.6552-0.1373-0.4352 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0291 -17.0290 -16.8559 -16.8559 -16.8447 -16.8446 -5.3045 -5.3032 -3.2147 -3.2140 1.2394 1.3065 2.1290 2.2729 2.6123 2.6147 3.5400 3.5736 3.7876 3.8351 3.8515 3.8737 3.9480 4.0278 4.0608 4.1270 4.3553 4.4347 4.6717 4.7026 4.8341 4.8399 4.9648 5.0212 5.0418 5.0870 5.1473 5.1706 5.2104 5.2626 5.2901 5.3081 5.7536 5.7898 6.0122 6.0740 6.2915 6.3451 6.3986 6.4463 7.1679 7.2768 9.6454 9.7977 9.8315 9.9017 10.0615 10.1672 10.8036 10.8695 11.9303 12.0606 k = 0.6485-0.1255-0.4127 ( 7850 PWs) bands (ev): -44.9828 -44.9828 -17.0290 -17.0289 -16.8557 -16.8557 -16.8447 -16.8445 -5.3353 -5.3340 -3.2378 -3.2372 1.2886 1.3640 2.1177 2.2719 2.6161 2.6178 3.5297 3.5605 3.7985 3.8378 3.8626 3.8961 3.9544 4.0370 4.0609 4.1300 4.3572 4.4409 4.6752 4.7112 4.8363 4.8471 4.9715 5.0190 5.0509 5.0865 5.1429 5.1703 5.2374 5.2809 5.3044 5.3171 5.7755 5.8138 6.0659 6.1219 6.3164 6.3483 6.4538 6.4984 7.2255 7.3351 9.6425 9.8164 9.8700 9.8986 10.0546 10.1411 10.8168 10.8844 11.9190 12.0434 k = 0.6417-0.1137-0.3903 ( 7852 PWs) bands (ev): -44.9828 -44.9828 -17.0289 -17.0288 -16.8555 -16.8555 -16.8447 -16.8445 -5.3657 -5.3644 -3.2607 -3.2601 1.3382 1.4230 2.1059 2.2710 2.6175 2.6187 3.5171 3.5457 3.8082 3.8437 3.8740 3.9185 3.9608 4.0448 4.0612 4.1329 4.3610 4.4486 4.6781 4.7189 4.8370 4.8540 4.9739 5.0193 5.0586 5.0853 5.1380 5.1683 5.2647 5.2975 5.3223 5.3279 5.8002 5.8413 6.1219 6.1735 6.3327 6.3519 6.5149 6.5619 7.2830 7.3927 9.6028 9.7608 9.9270 9.9507 10.0651 10.1323 10.8358 10.9091 11.9044 12.0211 k = 0.6350-0.1020-0.3679 ( 7846 PWs) bands (ev): -44.9828 -44.9828 -17.0288 -17.0286 -16.8553 -16.8553 -16.8447 -16.8445 -5.3954 -5.3942 -3.2833 -3.2827 1.3875 1.4830 2.0936 2.2707 2.6167 2.6179 3.5025 3.5292 3.8175 3.8524 3.8859 3.9380 3.9681 4.0503 4.0625 4.1353 4.3673 4.4580 4.6806 4.7256 4.8367 4.8600 4.9726 5.0215 5.0650 5.0839 5.1329 5.1659 5.2906 5.3129 5.3394 5.3432 5.8285 5.8718 6.1777 6.2287 6.3416 6.3637 6.5811 6.6314 7.3400 7.4492 9.5413 9.6872 9.9821 10.0200 10.0841 10.1366 10.8592 10.9420 11.8865 11.9938 k = 0.6282-0.0902-0.3455 ( 7846 PWs) bands (ev): -44.9828 -44.9828 -17.0287 -17.0286 -16.8551 -16.8551 -16.8447 -16.8445 -5.4245 -5.4232 -3.3053 -3.3047 1.4361 1.5436 2.0814 2.2713 2.6140 2.6158 3.4861 3.5113 3.8272 3.8633 3.8978 3.9520 3.9778 4.0533 4.0652 4.1368 4.3762 4.4693 4.6828 4.7312 4.8357 4.8651 4.9689 5.0243 5.0699 5.0829 5.1278 5.1632 5.3141 5.3282 5.3532 5.3629 5.8606 5.9052 6.2276 6.2884 6.3458 6.3896 6.6511 6.7044 7.3962 7.5044 9.4691 9.6074 10.0343 10.0759 10.1146 10.1610 10.8855 10.9807 11.8649 11.9624 k = 0.6215-0.0784-0.3230 ( 7848 PWs) bands (ev): -44.9828 -44.9828 -17.0286 -17.0285 -16.8550 -16.8550 -16.8447 -16.8445 -5.4527 -5.4514 -3.3268 -3.3263 1.4832 1.6041 2.0694 2.2734 2.6099 2.6125 3.4682 3.4921 3.8376 3.8760 3.9091 3.9603 3.9892 4.0550 4.0688 4.1371 4.3879 4.4826 4.6846 4.7359 4.8342 4.8692 4.9639 5.0264 5.0730 5.0829 5.1228 5.1604 5.3344 5.3440 5.3677 5.3818 5.8964 5.9409 6.2658 6.3500 6.3544 6.4315 6.7239 6.7800 7.4512 7.5580 9.3916 9.5247 10.0682 10.1085 10.1604 10.2183 10.9131 11.0228 11.8392 11.9281 k = 0.6147-0.0667-0.3006 ( 7842 PWs) bands (ev): -44.9828 -44.9828 -17.0285 -17.0284 -16.8548 -16.8548 -16.8447 -16.8445 -5.4799 -5.4787 -3.3476 -3.3471 1.5283 1.6640 2.0583 2.2774 2.6048 2.6085 3.4491 3.4719 3.8488 3.8900 3.9196 3.9655 3.9993 4.0570 4.0726 4.1362 4.4019 4.4977 4.6862 4.7396 4.8324 4.8721 4.9582 5.0275 5.0740 5.0842 5.1179 5.1576 5.3516 5.3605 5.3826 5.3992 5.9350 5.9779 6.2937 6.3570 6.4262 6.4882 6.7988 6.8573 7.5049 7.6096 9.3111 9.4405 10.0887 10.1253 10.2235 10.2907 10.9401 11.0656 11.8088 11.8929 k = 0.6080-0.0549-0.2782 ( 7848 PWs) bands (ev): -44.9828 -44.9828 -17.0284 -17.0283 -16.8546 -16.8546 -16.8447 -16.8445 -5.5061 -5.5050 -3.3677 -3.3672 1.5708 1.7220 2.0488 2.2837 2.5990 2.6038 3.4290 3.4508 3.8607 3.9049 3.9289 3.9692 4.0062 4.0597 4.0769 4.1341 4.4177 4.5144 4.6876 4.7423 4.8302 4.8739 4.9523 5.0271 5.0739 5.0860 5.1135 5.1548 5.3670 5.3763 5.3973 5.4148 5.9751 6.0145 6.3183 6.3683 6.5027 6.5550 6.8749 6.9357 7.5569 7.6592 9.2289 9.3553 10.1056 10.1391 10.2917 10.3650 10.9647 11.1061 11.7735 11.8588 k = 0.6012-0.0432-0.2558 ( 7850 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0282 -16.8545 -16.8545 -16.8447 -16.8445 -5.5312 -5.5301 -3.3870 -3.3865 1.6100 1.7767 2.0425 2.2926 2.5926 2.5988 3.4082 3.4292 3.8730 3.9203 3.9370 3.9721 4.0099 4.0627 4.0819 4.1311 4.4349 4.5324 4.6889 4.7442 4.8279 4.8745 4.9465 5.0254 5.0733 5.0874 5.1097 5.1520 5.3814 5.3911 5.4112 5.4286 6.0143 6.0485 6.3460 6.3862 6.5828 6.6282 6.9517 7.0146 7.6071 7.7065 9.1454 9.2692 10.1228 10.1540 10.3592 10.4362 10.9856 11.1412 11.7350 11.8263 k = 0.5945-0.0314-0.2333 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0281 -16.8544 -16.8543 -16.8447 -16.8446 -5.5550 -5.5540 -3.4054 -3.4049 1.6454 1.8251 2.0418 2.3045 2.5860 2.5936 3.3868 3.4071 3.8855 3.9357 3.9438 3.9745 4.0115 4.0655 4.0876 4.1276 4.4530 4.5512 4.6901 4.7454 4.8255 4.8737 4.9409 5.0223 5.0727 5.0878 5.1069 5.1491 5.3952 5.4047 5.4237 5.4407 6.0501 6.0775 6.3810 6.4131 6.6653 6.7054 7.0285 7.0935 7.6554 7.7515 9.0609 9.1822 10.1417 10.1715 10.4225 10.5007 11.0018 11.1665 11.6971 11.7921 k = 0.5877-0.0196-0.2109 ( 7856 PWs) bands (ev): -44.9828 -44.9828 -17.0282 -17.0281 -16.8542 -16.8542 -16.8447 -16.8446 -5.5775 -5.5766 -3.4228 -3.4223 1.6767 1.8628 2.0509 2.3195 2.5793 2.5885 3.3651 3.3847 3.8978 3.9491 3.9505 3.9766 4.0124 4.0681 4.0935 4.1240 4.4715 4.5706 4.6912 4.7458 4.8230 4.8715 4.9359 5.0182 5.0721 5.0869 5.1054 5.1463 5.4082 5.4174 5.4350 5.4512 6.0801 6.1000 6.4258 6.4511 6.7494 6.7850 7.1047 7.1716 7.7019 7.7943 8.9754 9.0939 10.1633 10.1922 10.4784 10.5544 11.0127 11.1768 11.6655 11.7399 k = 0.5810-0.0079-0.1885 ( 7858 PWs) bands (ev): -44.9828 -44.9828 -17.0281 -17.0280 -16.8541 -16.8540 -16.8447 -16.8446 -5.5987 -5.5978 -3.4392 -3.4387 1.7038 1.8859 2.0736 2.3373 2.5726 2.5836 3.3431 3.3623 3.9095 3.9532 3.9635 3.9784 4.0141 4.0706 4.0991 4.1205 4.4900 4.5901 4.6923 4.7457 4.8205 4.8678 4.9315 5.0130 5.0715 5.0848 5.1051 5.1436 5.4205 5.4291 5.4448 5.4603 6.1030 6.1162 6.4806 6.5011 6.8341 6.8656 7.1799 7.2482 7.7466 7.8348 8.8888 9.0042 10.1878 10.2165 10.5235 10.5931 11.0170 11.1667 11.6441 11.6553 k = 0.5742 0.0039-0.1661 ( 7858 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8539 -16.8539 -16.8447 -16.8446 -5.6183 -5.6175 -3.4544 -3.4541 1.7267 1.8951 2.1088 2.3577 2.5662 2.5791 3.3212 3.3399 3.9204 3.9560 3.9729 3.9804 4.0183 4.0734 4.1042 4.1175 4.5084 4.6094 4.6934 4.7451 4.8181 4.8628 4.9278 5.0071 5.0708 5.0821 5.1055 5.1408 5.4320 5.4399 5.4535 5.4680 6.1192 6.1270 6.5445 6.5626 6.9182 6.9460 7.2534 7.3227 7.7898 7.8733 8.8009 8.9127 10.2152 10.2445 10.5538 10.6137 11.0114 11.1336 11.5673 11.6388 k = 0.5675 0.0156-0.1437 ( 7864 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8538 -16.8538 -16.8447 -16.8446 -5.6365 -5.6357 -3.4686 -3.4682 1.7458 1.8954 2.1512 2.3799 2.5602 2.5751 3.2995 3.3178 3.9301 3.9577 3.9766 3.9835 4.0261 4.0766 4.1084 4.1154 4.5264 4.6283 4.6944 4.7441 4.8155 4.8566 4.9248 5.0006 5.0700 5.0791 5.1063 5.1381 5.4426 5.4497 5.4611 5.4746 6.1299 6.1338 6.6158 6.6338 7.0005 7.0248 7.3248 7.3942 7.8318 7.9101 8.7117 8.8192 10.2449 10.2761 10.5654 10.6159 10.9907 11.0804 11.5074 11.6189 k = 0.5607 0.0274-0.1212 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8537 -16.8537 -16.8447 -16.8446 -5.6531 -5.6524 -3.4815 -3.4812 1.7614 1.8911 2.1961 2.4030 2.5550 2.5719 3.2782 3.2961 3.9383 3.9586 3.9773 3.9859 4.0369 4.0800 4.1113 4.1147 4.5437 4.6466 4.6953 4.7429 4.8130 4.8494 4.9225 4.9935 5.0692 5.0761 5.1072 5.1355 5.4524 5.4585 5.4677 5.4801 6.1362 6.1381 6.6930 6.7129 7.0799 7.1007 7.3936 7.4617 7.8731 7.9456 8.6211 8.7236 10.2754 10.3105 10.5575 10.6016 10.9526 11.0136 11.4782 11.5743 k = 0.5540 0.0392-0.0988 ( 7872 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8536 -16.8536 -16.8447 -16.8446 -5.6681 -5.6675 -3.4932 -3.4929 1.7741 1.8845 2.2408 2.4258 2.5510 2.5694 3.2576 3.2749 3.9449 3.9588 3.9772 3.9869 4.0489 4.0838 4.1123 4.1163 4.5603 4.6640 4.6960 4.7418 4.8104 4.8416 4.9208 4.9861 5.0683 5.0733 5.1082 5.1330 5.4611 5.4663 5.4736 5.4846 6.1392 6.1411 6.7744 6.7981 7.1551 7.1725 7.4589 7.5240 7.9142 7.9801 8.5292 8.6258 10.3031 10.3460 10.5356 10.5731 10.9019 10.9412 11.4724 11.5369 k = 0.5472 0.0509-0.0764 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0277 -16.8535 -16.8535 -16.8447 -16.8446 -5.6814 -5.6808 -3.5036 -3.5033 1.7844 1.8770 2.2836 2.4468 2.5487 2.5680 3.2380 3.2546 3.9497 3.9585 3.9771 3.9871 4.0609 4.0877 4.1131 4.1183 4.5762 4.6800 4.6967 4.7409 4.8076 4.8333 4.9197 4.9785 5.0673 5.0708 5.1092 5.1306 5.4689 5.4731 5.4787 5.4884 6.1405 6.1429 6.8589 6.8874 7.2250 7.2393 7.5201 7.5800 7.9552 8.0140 8.4362 8.5260 10.3203 10.3783 10.5126 10.5354 10.8465 10.8703 11.4781 11.5123 k = 0.5405 0.0627-0.0540 ( 7870 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0277 -16.8534 -16.8534 -16.8447 -16.8446 -5.6930 -5.6925 -3.5127 -3.5125 1.7929 1.8691 2.3232 2.4640 2.5491 2.5677 3.2197 3.2354 3.9527 3.9580 3.9772 3.9867 4.0723 4.0917 4.1144 4.1199 4.5911 4.6910 4.7004 4.7407 4.8045 4.8248 4.9191 4.9708 5.0663 5.0685 5.1102 5.1284 5.4758 5.4788 5.4833 5.4913 6.1409 6.1436 6.9446 6.9791 7.2884 7.3012 7.5758 7.6285 7.9956 8.0477 8.3426 8.4248 10.3153 10.3916 10.5021 10.5095 10.7922 10.8056 11.4861 11.4982 k = 0.5337 0.0744-0.0315 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7029 -5.7025 -3.5204 -3.5202 1.8000 1.8613 2.3587 2.4755 2.5532 2.5687 3.2033 3.2176 3.9544 3.9572 3.9776 3.9861 4.0826 4.0956 4.1161 4.1210 4.6052 4.6913 4.7124 4.7413 4.8011 4.8166 4.9192 4.9633 5.0653 5.0666 5.1113 5.1262 5.4816 5.4835 5.4874 5.4935 6.1409 6.1435 7.0297 7.0703 7.3451 7.3592 7.6247 7.6687 8.0334 8.0807 8.2501 8.3236 10.2870 10.3625 10.5109 10.5208 10.7428 10.7499 11.4891 11.4947 k = 0.5270 0.0862-0.0091 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7110 -5.7107 -3.5268 -3.5266 1.8062 1.8539 2.3895 2.4808 2.5605 2.5709 3.1893 3.2017 3.9551 3.9565 3.9783 3.9853 4.0915 4.0993 4.1179 4.1215 4.6183 4.6883 4.7250 4.7430 4.7972 4.8087 4.9201 4.9559 5.0644 5.0651 5.1124 5.1242 5.4865 5.4873 5.4908 5.4951 6.1407 6.1431 7.1113 7.1567 7.3971 7.4142 7.6657 7.7001 8.0603 8.1115 8.1633 8.2275 10.2484 10.3106 10.5373 10.5445 10.7008 10.7050 11.4871 11.4978 k = 0.5202 0.0980 0.0133 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8446 -5.7173 -5.7171 -3.5318 -3.5316 1.8119 1.8468 2.4152 2.4811 2.5688 2.5741 3.1781 3.1881 3.9552 3.9558 3.9790 3.9844 4.0988 4.1027 4.1194 4.1217 4.6306 4.6836 4.7361 4.7457 4.7929 4.8016 4.9216 4.9489 5.0636 5.0639 5.1136 5.1223 5.4902 5.4903 5.4935 5.4961 6.1405 6.1424 7.1851 7.2309 7.4495 7.4675 7.6974 7.7228 8.0393 8.0861 8.1433 8.1666 10.2111 10.2580 10.5629 10.5677 10.6693 10.6722 11.4873 11.4991 k = 0.5135 0.1097 0.0357 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8446 -5.7218 -5.7217 -3.5353 -3.5352 1.8173 1.8401 2.4357 2.4779 2.5759 2.5777 3.1702 3.1773 3.9551 3.9553 3.9798 3.9834 4.1042 4.1055 4.1204 4.1216 4.6419 4.6775 4.7453 4.7488 4.7888 4.7954 4.9241 4.9425 5.0630 5.0631 5.1148 5.1206 5.4925 5.4932 5.4954 5.4966 6.1404 6.1418 7.2461 7.2836 7.5073 7.5198 7.7187 7.7367 7.9713 8.0050 8.1656 8.1687 10.1823 10.2136 10.5790 10.5824 10.6520 10.6533 11.4890 11.4986 k = 0.5067 0.1215 0.0582 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7245 -5.7244 -3.5374 -3.5374 1.8226 1.8340 2.4515 2.4720 2.5804 2.5807 3.1661 3.1698 3.9549 3.9550 3.9806 3.9824 4.1074 4.1076 4.1209 4.1215 4.6523 4.6702 4.7513 4.7519 4.7862 4.7902 4.9274 4.9366 5.0626 5.0626 5.1161 5.1190 5.4941 5.4948 5.4965 5.4967 6.1405 6.1412 7.2889 7.3097 7.5639 7.5672 7.7291 7.7412 7.9134 7.9309 8.1806 8.1809 10.1664 10.1821 10.5837 10.5858 10.6481 10.6482 11.4915 11.4967 k = 0.5000 0.1333 0.0806 ( 7858 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7254 -5.7254 -3.5381 -3.5381 1.8282 1.8282 2.4634 2.4634 2.5819 2.5819 3.1660 3.1660 3.9549 3.9549 3.9815 3.9815 4.1084 4.1084 4.1213 4.1213 4.6618 4.6618 4.7533 4.7533 4.7867 4.7867 4.9316 4.9316 5.0624 5.0624 5.1175 5.1175 5.4951 5.4951 5.4968 5.4968 6.1408 6.1408 7.3107 7.3107 7.5904 7.5904 7.7354 7.7354 7.8946 7.8946 8.1859 8.1859 10.1661 10.1661 10.5845 10.5845 10.6484 10.6484 11.4942 11.4942 k = 0.5000 0.1333 0.0806 ( 7858 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7254 -5.7254 -3.5381 -3.5381 1.8282 1.8282 2.4634 2.4634 2.5819 2.5819 3.1660 3.1660 3.9549 3.9549 3.9815 3.9815 4.1084 4.1084 4.1213 4.1213 4.6618 4.6618 4.7533 4.7533 4.7867 4.7867 4.9316 4.9316 5.0624 5.0624 5.1175 5.1175 5.4951 5.4951 5.4968 5.4968 6.1408 6.1408 7.3107 7.3107 7.5904 7.5904 7.7354 7.7354 7.8946 7.8946 8.1859 8.1859 10.1661 10.1661 10.5845 10.5845 10.6484 10.6484 11.4942 11.4942 k = 0.4750 0.1266 0.0766 ( 7857 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7255 -5.7255 -3.5378 -3.5378 1.8251 1.8251 2.4631 2.4631 2.5819 2.5819 3.1691 3.1691 3.9548 3.9549 3.9815 3.9815 4.1083 4.1084 4.1213 4.1213 4.6618 4.6618 4.7532 4.7535 4.7867 4.7867 4.9316 4.9316 5.0623 5.0625 5.1175 5.1175 5.4951 5.4951 5.4967 5.4968 6.1439 6.1439 7.3104 7.3104 7.5899 7.5903 7.7357 7.7357 7.8945 7.8945 8.1862 8.1866 10.1606 10.1606 10.5842 10.5842 10.6479 10.6481 11.4719 11.4719 k = 0.4500 0.1199 0.0725 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7258 -5.7258 -3.5367 -3.5367 1.8161 1.8161 2.4623 2.4623 2.5819 2.5819 3.1781 3.1781 3.9548 3.9549 3.9813 3.9813 4.1082 4.1084 4.1213 4.1213 4.6619 4.6619 4.7531 4.7538 4.7864 4.7864 4.9317 4.9317 5.0622 5.0626 5.1174 5.1174 5.4954 5.4954 5.4967 5.4968 6.1533 6.1533 7.3095 7.3095 7.5889 7.5895 7.7364 7.7364 7.8944 7.8944 8.1876 8.1885 10.1441 10.1441 10.5833 10.5833 10.6466 10.6470 11.4168 11.4168 k = 0.4250 0.1133 0.0685 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7263 -5.7263 -3.5349 -3.5349 1.8017 1.8017 2.4611 2.4611 2.5819 2.5819 3.1927 3.1927 3.9548 3.9549 3.9812 3.9812 4.1080 4.1083 4.1213 4.1213 4.6620 4.6620 4.7532 4.7542 4.7861 4.7861 4.9317 4.9317 5.0622 5.0626 5.1173 5.1173 5.4957 5.4957 5.4967 5.4968 6.1690 6.1690 7.3081 7.3081 7.5873 7.5882 7.7376 7.7376 7.8943 7.8943 8.1901 8.1913 10.1162 10.1162 10.5817 10.5817 10.6445 10.6450 11.3482 11.3482 k = 0.4000 0.1066 0.0645 ( 7851 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7270 -5.7270 -3.5325 -3.5325 1.7823 1.7823 2.4596 2.4596 2.5819 2.5819 3.2119 3.2119 3.9547 3.9548 3.9809 3.9809 4.1077 4.1082 4.1213 4.1213 4.6622 4.6622 4.7534 4.7547 4.7856 4.7856 4.9318 4.9318 5.0621 5.0627 5.1172 5.1172 5.4962 5.4962 5.4966 5.4968 6.1908 6.1908 7.3061 7.3061 7.5852 7.5864 7.7391 7.7391 7.8941 7.8941 8.1936 8.1951 10.0765 10.0765 10.5796 10.5796 10.6417 10.6424 11.2783 11.2783 k = 0.3750 0.0999 0.0604 ( 7851 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7278 -5.7278 -3.5294 -3.5294 1.7589 1.7589 2.4579 2.4579 2.5819 2.5819 3.2348 3.2348 3.9547 3.9548 3.9805 3.9805 4.1075 4.1079 4.1214 4.1214 4.6624 4.6624 4.7536 4.7552 4.7850 4.7850 4.9320 4.9320 5.0620 5.0628 5.1171 5.1171 5.4966 5.4967 5.4967 5.4968 6.2186 6.2186 7.3038 7.3038 7.5826 7.5841 7.7407 7.7407 7.8939 7.8939 8.1980 8.1998 10.0250 10.0250 10.5769 10.5769 10.6382 10.6390 11.2136 11.2136 k = 0.3500 0.0933 0.0564 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7288 -5.7288 -3.5259 -3.5259 1.7323 1.7323 2.4562 2.4562 2.5819 2.5819 3.2605 3.2605 3.9546 3.9548 3.9802 3.9802 4.1071 4.1077 4.1214 4.1214 4.6627 4.6627 4.7539 4.7557 4.7843 4.7843 4.9321 4.9321 5.0620 5.0628 5.1170 5.1170 5.4966 5.4968 5.4973 5.4973 6.2522 6.2522 7.3010 7.3010 7.5797 7.5813 7.7422 7.7422 7.8938 7.8938 8.2031 8.2051 9.9622 9.9622 10.5737 10.5737 10.6342 10.6351 11.1573 11.1573 k = 0.3250 0.0866 0.0524 ( 7857 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7299 -5.7299 -3.5219 -3.5219 1.7034 1.7034 2.4546 2.4546 2.5819 2.5820 3.2880 3.2880 3.9546 3.9548 3.9797 3.9797 4.1068 4.1074 4.1214 4.1214 4.6630 4.6630 4.7543 4.7563 4.7835 4.7835 4.9323 4.9323 5.0619 5.0629 5.1168 5.1168 5.4966 5.4968 5.4979 5.4979 6.2913 6.2913 7.2979 7.2979 7.5765 7.5783 7.7433 7.7433 7.8939 7.8939 8.2088 8.2111 9.8890 9.8890 10.5701 10.5701 10.6296 10.6306 11.1106 11.1106 k = 0.3000 0.0800 0.0483 ( 7842 PWs) bands (ev): -44.9828 -44.9828 -17.0275 -17.0275 -16.8531 -16.8531 -16.8446 -16.8446 -5.7310 -5.7310 -3.5176 -3.5176 1.6732 1.6732 2.4531 2.4531 2.5819 2.5820 3.3164 3.3164 3.9545 3.9547 3.9792 3.9792 4.1064 4.1071 4.1215 4.1215 4.6633 4.6633 4.7548 4.7569 4.7827 4.7827 4.9325 4.9325 5.0619 5.0629 5.1167 5.1167 5.4965 5.4968 5.4986 5.4986 6.3356 6.3356 7.2947 7.2947 7.5732 7.5751 7.7437 7.7437 7.8942 7.8942 8.2150 8.2174 9.8073 9.8073 10.5661 10.5661 10.6247 10.6258 11.0734 11.0734 k = 0.2750 0.0733 0.0443 ( 7839 PWs) bands (ev): -44.9828 -44.9828 -17.0275 -17.0275 -16.8531 -16.8531 -16.8446 -16.8446 -5.7323 -5.7323 -3.5130 -3.5130 1.6425 1.6425 2.4517 2.4517 2.5819 2.5820 3.3448 3.3448 3.9545 3.9547 3.9787 3.9787 4.1060 4.1067 4.1215 4.1215 4.6636 4.6636 4.7553 4.7575 4.7819 4.7819 4.9327 4.9327 5.0619 5.0629 5.1166 5.1166 5.4965 5.4968 5.4992 5.4992 6.3846 6.3846 7.2912 7.2912 7.5697 7.5717 7.7431 7.7431 7.8949 7.8949 8.2216 8.2240 9.7193 9.7193 10.5619 10.5619 10.6195 10.6206 11.0448 11.0448 k = 0.2500 0.0666 0.0403 ( 7848 PWs) bands (ev): -44.9828 -44.9828 -17.0275 -17.0275 -16.8532 -16.8532 -16.8446 -16.8446 -5.7336 -5.7336 -3.5083 -3.5083 1.6120 1.6120 2.4505 2.4505 2.5820 2.5820 3.3725 3.3725 3.9544 3.9546 3.9782 3.9782 4.1057 4.1063 4.1216 4.1216 4.6640 4.6640 4.7559 4.7581 4.7810 4.7810 4.9329 4.9329 5.0618 5.0629 5.1164 5.1164 5.4965 5.4968 5.4998 5.4998 6.4377 6.4377 7.2877 7.2877 7.5663 7.5682 7.7411 7.7411 7.8959 7.8959 8.2283 8.2307 9.6273 9.6273 10.5575 10.5575 10.6142 10.6153 11.0236 11.0236 k = 0.2250 0.0600 0.0363 ( 7848 PWs) bands (ev): -44.9828 -44.9828 -17.0275 -17.0275 -16.8532 -16.8532 -16.8446 -16.8446 -5.7348 -5.7348 -3.5036 -3.5036 1.5824 1.5824 2.4494 2.4494 2.5820 2.5820 3.3989 3.3989 3.9544 3.9546 3.9777 3.9777 4.1053 4.1060 4.1217 4.1217 4.6643 4.6643 4.7565 4.7587 4.7802 4.7802 4.9331 4.9331 5.0618 5.0629 5.1163 5.1163 5.4965 5.4968 5.5004 5.5004 6.4941 6.4941 7.2842 7.2842 7.5629 7.5648 7.7375 7.7375 7.8974 7.8974 8.2350 8.2374 9.5338 9.5338 10.5531 10.5531 10.6089 10.6100 11.0084 11.0084 k = 0.2000 0.0533 0.0322 ( 7875 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7361 -5.7361 -3.4990 -3.4990 1.5545 1.5545 2.4485 2.4485 2.5820 2.5820 3.4236 3.4236 3.9543 3.9545 3.9771 3.9771 4.1049 4.1056 4.1217 4.1217 4.6646 4.6646 4.7571 4.7592 4.7794 4.7794 4.9333 4.9333 5.0619 5.0629 5.1162 5.1162 5.4965 5.4967 5.5009 5.5009 6.5529 6.5529 7.2807 7.2807 7.5597 7.5615 7.7320 7.7320 7.8993 7.8993 8.2415 8.2438 9.4412 9.4412 10.5488 10.5488 10.6038 10.6048 10.9981 10.9981 k = 0.1750 0.0466 0.0282 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7372 -5.7372 -3.4946 -3.4946 1.5286 1.5286 2.4478 2.4478 2.5820 2.5820 3.4462 3.4462 3.9543 3.9545 3.9766 3.9766 4.1046 4.1052 4.1218 4.1218 4.6650 4.6650 4.7577 4.7597 4.7787 4.7787 4.9335 4.9335 5.0619 5.0628 5.1161 5.1161 5.4964 5.4967 5.5014 5.5014 6.6129 6.6129 7.2772 7.2772 7.5567 7.5584 7.7244 7.7244 7.9016 7.9016 8.2477 8.2498 9.3519 9.3519 10.5446 10.5446 10.5989 10.5999 10.9915 10.9915 k = 0.1500 0.0400 0.0242 ( 7875 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7383 -5.7383 -3.4906 -3.4906 1.5052 1.5052 2.4471 2.4471 2.5820 2.5821 3.4662 3.4662 3.9543 3.9544 3.9762 3.9762 4.1043 4.1049 4.1219 4.1219 4.6652 4.6652 4.7582 4.7601 4.7780 4.7780 4.9337 4.9337 5.0619 5.0628 5.1160 5.1160 5.4964 5.4967 5.5018 5.5018 6.6726 6.6726 7.2739 7.2739 7.5541 7.5555 7.7149 7.7149 7.9042 7.9042 8.2534 8.2553 9.2683 9.2683 10.5408 10.5408 10.5944 10.5953 10.9876 10.9876 k = 0.1250 0.0333 0.0201 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7393 -5.7393 -3.4870 -3.4870 1.4848 1.4848 2.4466 2.4466 2.5820 2.5821 3.4836 3.4836 3.9542 3.9544 3.9758 3.9758 4.1041 4.1045 4.1219 4.1219 4.6655 4.6655 4.7588 4.7604 4.7775 4.7775 4.9339 4.9339 5.0620 5.0627 5.1159 5.1159 5.4964 5.4967 5.5021 5.5021 6.7303 6.7303 7.2707 7.2707 7.5517 7.5530 7.7038 7.7038 7.9069 7.9069 8.2585 8.2602 9.1926 9.1926 10.5374 10.5374 10.5903 10.5911 10.9857 10.9857 k = 0.1000 0.0267 0.0161 ( 7866 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7401 -5.7401 -3.4839 -3.4839 1.4677 1.4677 2.4462 2.4462 2.5820 2.5821 3.4980 3.4980 3.9542 3.9543 3.9754 3.9754 4.1039 4.1043 4.1220 4.1220 4.6657 4.6657 4.7593 4.7606 4.7770 4.7770 4.9341 4.9341 5.0620 5.0626 5.1158 5.1158 5.4965 5.4966 5.5024 5.5024 6.7836 6.7836 7.2677 7.2677 7.5498 7.5508 7.6917 7.6917 7.9096 7.9096 8.2629 8.2643 9.1269 9.1269 10.5344 10.5344 10.5869 10.5876 10.9850 10.9850 k = 0.0750 0.0200 0.0121 ( 7866 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7407 -5.7407 -3.4814 -3.4814 1.4541 1.4541 2.4459 2.4459 2.5821 2.5821 3.5093 3.5093 3.9542 3.9543 3.9751 3.9751 4.1037 4.1040 4.1220 4.1220 4.6659 4.6659 4.7598 4.7608 4.7766 4.7766 4.9342 4.9342 5.0621 5.0626 5.1158 5.1158 5.4965 5.4966 5.5026 5.5026 6.8300 6.8300 7.2649 7.2649 7.5482 7.5490 7.6797 7.6797 7.9119 7.9119 8.2665 8.2676 9.0733 9.0733 10.5321 10.5321 10.5842 10.5847 10.9850 10.9850 k = 0.0500 0.0133 0.0081 ( 7863 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7412 -5.7412 -3.4796 -3.4796 1.4443 1.4443 2.4457 2.4457 2.5821 2.5821 3.5174 3.5174 3.9542 3.9542 3.9749 3.9749 4.1036 4.1038 4.1220 4.1220 4.6660 4.6660 4.7601 4.7608 4.7763 4.7763 4.9343 4.9343 5.0622 5.0625 5.1157 5.1157 5.4965 5.4966 5.5028 5.5028 6.8665 6.8665 7.2626 7.2626 7.5472 7.5477 7.6693 7.6693 7.9137 7.9137 8.2692 8.2699 9.0337 9.0337 10.5303 10.5303 10.5822 10.5826 10.9854 10.9854 k = 0.0250 0.0067 0.0040 ( 7875 PWs) bands (ev): -44.9829 -44.9829 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7415 -5.7415 -3.4785 -3.4785 1.4383 1.4383 2.4455 2.4455 2.5821 2.5821 3.5224 3.5224 3.9542 3.9542 3.9748 3.9748 4.1036 4.1037 4.1221 4.1221 4.6661 4.6661 4.7604 4.7608 4.7762 4.7762 4.9343 4.9343 5.0622 5.0624 5.1157 5.1157 5.4965 5.4965 5.5029 5.5029 6.8900 6.8900 7.2610 7.2610 7.5466 7.5468 7.6622 7.6622 7.9149 7.9149 8.2709 8.2712 9.0092 9.0092 10.5292 10.5292 10.5810 10.5812 10.9857 10.9857 k = 0.0000 0.0000 0.0000 ( 7887 PWs) bands (ev): -44.9829 -44.9829 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7416 -5.7416 -3.4781 -3.4781 1.4363 1.4363 2.4455 2.4455 2.5821 2.5821 3.5240 3.5240 3.9542 3.9542 3.9747 3.9747 4.1036 4.1036 4.1221 4.1221 4.6661 4.6661 4.7607 4.7607 4.7761 4.7761 4.9343 4.9343 5.0623 5.0623 5.1157 5.1157 5.4965 5.4965 5.5029 5.5029 6.8981 6.8981 7.2604 7.2604 7.5465 7.5465 7.6596 7.6596 7.9153 7.9153 8.2715 8.2715 9.0010 9.0010 10.5289 10.5289 10.5807 10.5807 10.9858 10.9858 k = 0.0000 0.0000 0.0000 ( 7887 PWs) bands (ev): -44.9829 -44.9829 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7416 -5.7416 -3.4781 -3.4781 1.4363 1.4363 2.4455 2.4455 2.5821 2.5821 3.5240 3.5240 3.9542 3.9542 3.9747 3.9747 4.1036 4.1036 4.1221 4.1221 4.6661 4.6661 4.7607 4.7607 4.7761 4.7761 4.9343 4.9343 5.0623 5.0623 5.1157 5.1157 5.4965 5.4965 5.5029 5.5029 6.8981 6.8981 7.2604 7.2604 7.5465 7.5465 7.6596 7.6596 7.9153 7.9153 8.2715 8.2715 9.0010 9.0010 10.5289 10.5289 10.5807 10.5807 10.9858 10.9858 k = 0.0067-0.0117-0.0222 ( 7871 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7407 -5.7407 -3.4775 -3.4774 1.4340 1.4400 2.4376 2.4510 2.5810 2.5811 3.5235 3.5258 3.9542 3.9543 3.9741 3.9754 4.1027 4.1029 4.1217 4.1222 4.6550 4.6758 4.7558 4.7577 4.7769 4.7827 4.9310 4.9386 5.0625 5.0625 5.1157 5.1159 5.4960 5.4961 5.5026 5.5026 6.8856 6.8962 7.2438 7.2708 7.5301 7.5306 7.6640 7.6800 7.8911 7.9386 8.2675 8.2676 9.0024 9.0166 10.5269 10.5316 10.5809 10.5810 10.9917 10.9927 k = 0.0134-0.0233-0.0445 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8447 -5.7381 -5.7379 -3.4755 -3.4754 1.4331 1.4451 2.4267 2.4541 2.5776 2.5785 3.5242 3.5288 3.9544 3.9545 3.9735 3.9762 4.0998 4.1009 4.1210 4.1222 4.6427 4.6841 4.7450 4.7528 4.7825 4.7911 4.9286 4.9436 5.0630 5.0630 5.1160 5.1164 5.4944 5.4948 5.5015 5.5019 6.8596 6.8794 7.2231 7.2742 7.4947 7.4968 7.6751 7.7101 7.8690 7.9625 8.2565 8.2575 9.0203 9.0473 10.5208 10.5293 10.5871 10.5874 11.0101 11.0124 k = 0.0201-0.0350-0.0667 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8446 -5.7336 -5.7333 -3.4723 -3.4722 1.4333 1.4516 2.4122 2.4548 2.5724 2.5750 3.5262 3.5330 3.9544 3.9549 3.9730 3.9771 4.0948 4.0982 4.1199 4.1220 4.6291 4.6909 4.7321 4.7485 4.7888 4.7997 4.9270 4.9492 5.0637 5.0639 5.1166 5.1171 5.4915 5.4927 5.4996 5.5009 6.8212 6.8481 7.2006 7.2704 7.4537 7.4570 7.6737 7.7238 7.8621 7.9881 8.2415 8.2462 9.0527 9.0903 10.5040 10.5147 10.6067 10.6082 11.0404 11.0442 k = 0.0268-0.0467-0.0890 ( 7863 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7273 -5.7270 -3.4678 -3.4676 1.4347 1.4595 2.3936 2.4525 2.5660 2.5714 3.5294 3.5383 3.9541 3.9554 3.9726 3.9780 4.0878 4.0948 4.1182 4.1218 4.6143 4.6960 4.7179 4.7452 4.7946 4.8086 4.9264 4.9554 5.0648 5.0651 5.1174 5.1180 5.4875 5.4899 5.4969 5.4993 6.7719 6.8036 7.1774 7.2597 7.4113 7.4146 7.6525 7.7047 7.8817 8.0123 8.2267 8.2408 9.0963 9.1423 10.4782 10.4901 10.6394 10.6425 11.0816 11.0873 k = 0.0335-0.0583-0.1112 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7192 -5.7188 -3.4620 -3.4618 1.4371 1.4689 2.3703 2.4461 2.5597 2.5683 3.5336 3.5447 3.9530 3.9560 3.9725 3.9788 4.0791 4.0911 4.1162 4.1213 4.5984 4.6968 4.7048 4.7431 4.7996 4.8177 4.9265 4.9620 5.0660 5.0666 5.1185 5.1191 5.4824 5.4862 5.4934 5.4973 6.7136 6.7485 7.1537 7.2420 7.3683 7.3703 7.6113 7.6649 7.9123 8.0284 8.2168 8.2496 9.1483 9.2004 10.4469 10.4599 10.6823 10.6873 11.1323 11.1406 k = 0.0402-0.0700-0.1335 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0277 -16.8534 -16.8534 -16.8447 -16.8446 -5.7094 -5.7089 -3.4550 -3.4547 1.4403 1.4796 2.3423 2.4349 2.5548 2.5662 3.5390 3.5520 3.9507 3.9565 3.9725 3.9797 4.0689 4.0871 4.1142 4.1204 4.5815 4.6832 4.7034 4.7424 4.8039 4.8269 4.9273 4.9688 5.0675 5.0684 5.1197 5.1202 5.4763 5.4817 5.4891 5.4947 6.6483 6.6857 7.1280 7.2157 7.3212 7.3288 7.5553 7.6153 7.9365 8.0317 8.2176 8.2762 9.2060 9.2627 10.4130 10.4271 10.7329 10.7412 11.1913 11.2026 k = 0.0469-0.0817-0.1557 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0277 -16.8535 -16.8535 -16.8447 -16.8446 -5.6978 -5.6973 -3.4467 -3.4464 1.4440 1.4916 2.3096 2.4184 2.5521 2.5653 3.5453 3.5603 3.9470 3.9568 3.9728 3.9804 4.0575 4.0830 4.1124 4.1190 4.5637 4.6652 4.7037 4.7428 4.8076 4.8361 4.9286 4.9757 5.0690 5.0705 5.1209 5.1215 5.4691 5.4762 5.4841 5.4913 6.5782 6.6176 7.0986 7.1784 7.2707 7.2911 7.4914 7.5597 7.9452 8.0234 8.2347 8.3174 9.2674 9.3274 10.3786 10.3939 10.7883 10.8024 11.2570 11.2718 k = 0.0536-0.0933-0.1780 ( 7869 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0278 -16.8536 -16.8536 -16.8447 -16.8446 -5.6845 -5.6839 -3.4372 -3.4369 1.4481 1.5047 2.2727 2.3970 2.5517 2.5656 3.5524 3.5693 3.9415 3.9569 3.9731 3.9807 4.0453 4.0789 4.1110 4.1170 4.5451 4.6459 4.7033 4.7439 4.8108 4.8451 4.9303 4.9825 5.0706 5.0728 5.1220 5.1230 5.4609 5.4695 5.4784 5.4872 6.5051 6.5466 7.0631 7.1291 7.2178 7.2562 7.4253 7.5007 7.9376 8.0063 8.2685 8.3676 9.3312 9.3935 10.3454 10.3622 10.8455 10.8683 11.3285 11.3470 k = 0.0602-0.1050-0.2002 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8537 -16.8537 -16.8447 -16.8446 -5.6696 -5.6689 -3.4266 -3.4262 1.4521 1.5189 2.2321 2.3716 2.5533 2.5670 3.5603 3.5792 3.9343 3.9566 3.9729 3.9803 4.0331 4.0749 4.1102 4.1144 4.5259 4.6256 4.7024 4.7453 4.8136 4.8538 4.9323 4.9891 5.0723 5.0753 5.1229 5.1247 5.4518 5.4618 5.4720 5.4823 6.4306 6.4744 7.0191 7.0696 7.1632 7.2198 7.3623 7.4408 7.9183 7.9825 8.3146 8.4230 9.3960 9.4603 10.3148 10.3335 10.9006 10.9349 11.4051 11.4269 k = 0.0669-0.1167-0.2224 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8538 -16.8538 -16.8447 -16.8446 -5.6531 -5.6523 -3.4148 -3.4144 1.4557 1.5339 2.1883 2.3434 2.5564 2.5693 3.5688 3.5896 3.9253 3.9558 3.9715 3.9783 4.0221 4.0711 4.1095 4.1117 4.5062 4.6045 4.7012 4.7468 4.8161 4.8618 4.9347 4.9955 5.0740 5.0781 5.1235 5.1265 5.4417 5.4530 5.4646 5.4763 6.3560 6.4023 6.9651 7.0028 7.1072 7.1759 7.3078 7.3825 7.8913 7.9535 8.3683 8.4816 9.4612 9.5273 10.2876 10.3088 10.9487 10.9973 11.4868 11.5111 k = 0.0736-0.1283-0.2447 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8539 -16.8539 -16.8447 -16.8446 -5.6349 -5.6341 -3.4020 -3.4015 1.4584 1.5492 2.1422 2.3137 2.5606 2.5723 3.5778 3.6007 3.9146 3.9543 3.9670 3.9750 4.0142 4.0676 4.1063 4.1116 4.4861 4.5827 4.6999 4.7480 4.8185 4.8690 4.9374 5.0014 5.0755 5.0810 5.1237 5.1283 5.4308 5.4431 5.4563 5.4693 6.2825 6.3315 6.9016 6.9308 7.0493 7.1209 7.2643 7.3277 7.8592 7.9204 8.4269 8.5423 9.5262 9.5943 10.2647 10.2891 10.9853 11.0494 11.5740 11.5992 k = 0.0803-0.1400-0.2669 ( 7863 PWs) bands (ev): -44.9828 -44.9828 -17.0281 -17.0280 -16.8540 -16.8540 -16.8447 -16.8446 -5.6153 -5.6144 -3.3881 -3.3876 1.4596 1.5645 2.0948 2.2834 2.5654 2.5759 3.5872 3.6123 3.9025 3.9518 3.9568 3.9719 4.0104 4.0644 4.1014 4.1129 4.4658 4.5605 4.6986 4.7488 4.8207 4.8752 4.9405 5.0067 5.0769 5.0841 5.1235 5.1301 5.4189 5.4323 5.4466 5.4610 6.2110 6.2627 6.8306 6.8555 6.9884 7.0566 7.2288 7.2776 7.8235 7.8842 8.4889 8.6048 9.5905 9.6611 10.2464 10.2747 11.0072 11.0859 11.6662 11.6907 k = 0.0870-0.1517-0.2892 ( 7871 PWs) bands (ev): -44.9828 -44.9828 -17.0282 -17.0281 -16.8542 -16.8542 -16.8447 -16.8446 -5.5942 -5.5933 -3.3733 -3.3727 1.4587 1.5789 2.0470 2.2538 2.5707 2.5800 3.5969 3.6242 3.8890 3.9415 3.9488 3.9691 4.0092 4.0614 4.0958 4.1147 4.4455 4.5380 4.6973 4.7492 4.8228 4.8801 4.9441 5.0113 5.0782 5.0873 5.1227 5.1319 5.4062 5.4204 5.4356 5.4513 6.1425 6.1969 6.7549 6.7781 6.9242 6.9865 7.1967 7.2320 7.7848 7.8454 8.5533 8.6688 9.6538 9.7276 10.2331 10.2662 11.0141 11.1043 11.7614 11.7841 k = 0.0937-0.1633-0.3114 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0281 -16.8543 -16.8543 -16.8447 -16.8446 -5.5717 -5.5707 -3.3575 -3.3569 1.4550 1.5912 2.0007 2.2259 2.5761 2.5842 3.6066 3.6364 3.8745 3.9245 3.9440 3.9661 4.0091 4.0584 4.0896 4.1167 4.4255 4.5157 4.6960 4.7490 4.8248 4.8836 4.9481 5.0151 5.0792 5.0906 5.1214 5.1337 5.3926 5.4077 5.4229 5.4402 6.0775 6.1346 6.6768 6.7000 6.8567 6.9132 7.1643 7.1908 7.7440 7.8043 8.6199 8.7345 9.7161 9.7937 10.2250 10.2639 11.0079 11.1055 11.8549 11.8763 k = 0.1004-0.1750-0.3337 ( 7877 PWs) bands (ev): -44.9828 -44.9828 -17.0284 -17.0282 -16.8545 -16.8545 -16.8448 -16.8446 -5.5479 -5.5469 -3.3408 -3.3403 1.4478 1.5994 1.9580 2.2009 2.5814 2.5885 3.6161 3.6487 3.8589 3.9061 3.9381 3.9629 4.0087 4.0550 4.0832 4.1189 4.4060 4.4939 4.6947 4.7481 4.8266 4.8856 4.9527 5.0178 5.0800 5.0939 5.1194 5.1353 5.3781 5.3940 5.4086 5.4273 6.0169 6.0764 6.5980 6.6222 6.7870 6.8383 7.1291 7.1530 7.7016 7.7614 8.6884 8.8018 9.7769 9.8593 10.2224 10.2681 10.9918 11.0930 11.9412 11.9641 k = 0.1071-0.1867-0.3559 ( 7885 PWs) bands (ev): -44.9828 -44.9828 -17.0285 -17.0283 -16.8547 -16.8547 -16.8448 -16.8446 -5.5229 -5.5218 -3.3234 -3.3228 1.4365 1.6006 1.9223 2.1797 2.5865 2.5927 3.6251 3.6610 3.8426 3.8872 3.9312 3.9595 4.0070 4.0512 4.0771 4.1208 4.3872 4.4730 4.6934 4.7465 4.8283 4.8860 4.9577 5.0195 5.0806 5.0971 5.1168 5.1368 5.3625 5.3795 5.3927 5.4126 5.9612 6.0226 6.5198 6.5458 6.7160 6.7626 7.0904 7.1172 7.6581 7.7172 8.7588 8.8708 9.8360 9.9238 10.2257 10.2789 10.9693 11.0711 12.0172 12.0454 k = 0.1138-0.1983-0.3782 ( 7887 PWs) bands (ev): -44.9828 -44.9828 -17.0286 -17.0284 -16.8548 -16.8548 -16.8448 -16.8446 -5.4967 -5.4955 -3.3052 -3.3046 1.4206 1.5915 1.8971 2.1630 2.5909 2.5965 3.6334 3.6728 3.8256 3.8682 3.9235 3.9557 4.0026 4.0474 4.0715 4.1223 4.3694 4.4534 4.6921 4.7442 4.8297 4.8850 4.9630 5.0199 5.0810 5.0998 5.1138 5.1380 5.3456 5.3641 5.3760 5.3960 5.9108 5.9738 6.4432 6.4714 6.6447 6.6872 7.0490 7.0810 7.6140 7.6719 8.8311 8.9415 9.8928 9.9862 10.2356 10.2969 10.9431 11.0434 12.0825 12.1196 k = 0.1205-0.2100-0.4004 ( 7885 PWs) bands (ev): -44.9828 -44.9828 -17.0287 -17.0285 -16.8550 -16.8550 -16.8448 -16.8446 -5.4694 -5.4682 -3.2864 -3.2857 1.4001 1.5698 1.8849 2.1513 2.5946 2.5996 3.6403 3.6838 3.8082 3.8497 3.9155 3.9512 3.9947 4.0445 4.0663 4.1232 4.3530 4.4357 4.6906 4.7410 4.8307 4.8826 4.9683 5.0190 5.0812 5.1005 5.1116 5.1390 5.3266 5.3477 5.3595 5.3775 5.8662 5.9299 6.3689 6.3997 6.5738 6.6125 7.0050 7.0429 7.5698 7.6261 8.9052 9.0140 9.9467 10.0448 10.2536 10.3223 10.9155 11.0126 12.1367 12.1865 k = 0.1272-0.2217-0.4227 ( 7879 PWs) bands (ev): -44.9828 -44.9828 -17.0288 -17.0286 -16.8552 -16.8551 -16.8448 -16.8446 -5.4412 -5.4399 -3.2670 -3.2663 1.3749 1.5365 1.8850 2.1447 2.5973 2.6019 3.6455 3.6934 3.7905 3.8323 3.9075 3.9458 3.9837 4.0427 4.0610 4.1234 4.3383 4.4200 4.6890 4.7370 4.8313 4.8789 4.9734 5.0167 5.0813 5.0972 5.1122 5.1395 5.3049 5.3307 5.3441 5.3574 5.8273 5.8910 6.2973 6.3312 6.5042 6.5393 6.9585 7.0022 7.5257 7.5802 8.9810 9.0883 9.9971 10.0964 10.2821 10.3556 10.8882 10.9807 12.1750 12.2440 k = 0.1339-0.2333-0.4449 ( 7871 PWs) bands (ev): -44.9828 -44.9828 -17.0288 -17.0287 -16.8553 -16.8553 -16.8448 -16.8446 -5.4121 -5.4108 -3.2471 -3.2464 1.3455 1.4945 1.8947 2.1430 2.5986 2.6029 3.6479 3.7009 3.7729 3.8166 3.9001 3.9386 3.9714 4.0414 4.0555 4.1227 4.3257 4.4066 4.6872 4.7320 4.8311 4.8739 4.9776 5.0135 5.0812 5.0905 5.1147 5.1395 5.2805 5.3141 5.3299 5.3360 5.7940 5.8568 6.2289 6.2663 6.4365 6.4680 6.9094 6.9588 7.4822 7.5343 9.0586 9.1644 10.0433 10.1383 10.3233 10.3967 10.8623 10.9491 12.1818 12.2727 k = 0.1406-0.2450-0.4671 ( 7861 PWs) bands (ev): -44.9828 -44.9828 -17.0289 -17.0288 -16.8555 -16.8555 -16.8447 -16.8446 -5.3822 -5.3809 -3.2268 -3.2261 1.3125 1.4473 1.9109 2.1458 2.5982 2.6024 3.6466 3.7052 3.7561 3.8029 3.8937 3.9290 3.9605 4.0388 4.0506 4.1212 4.3154 4.3953 4.6851 4.7261 4.8302 4.8678 4.9797 5.0103 5.0809 5.0817 5.1176 5.1388 5.2542 5.2981 5.3129 5.3180 5.7659 5.8270 6.1640 6.2053 6.3711 6.3991 6.8578 6.9124 7.4392 7.4889 9.1379 9.2422 10.0846 10.1699 10.3768 10.4457 10.8389 10.9189 12.1444 12.2205 k = 0.1473-0.2567-0.4894 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0290 -17.0289 -16.8557 -16.8556 -16.8447 -16.8446 -5.3517 -5.3504 -3.2062 -3.2054 1.2768 1.3972 1.9312 2.1525 2.5959 2.5999 3.6407 3.7057 3.7409 3.7907 3.8889 3.9175 3.9523 4.0327 4.0480 4.1190 4.3076 4.3860 4.6826 4.7193 4.8281 4.8607 4.9777 5.0092 5.0707 5.0807 5.1206 5.1372 5.2273 5.2823 5.2914 5.3067 5.7425 5.8012 6.1026 6.1484 6.3084 6.3329 6.8040 6.8634 7.3970 7.4441 9.2187 9.3217 10.1206 10.1930 10.4394 10.5019 10.8190 10.8913 12.0837 12.1462 k = 0.1540-0.2683-0.5116 ( 7863 PWs) bands (ev): -44.9828 -44.9828 -17.0291 -17.0290 -16.8558 -16.8558 -16.8447 -16.8446 -5.3208 -5.3194 -3.1854 -3.1846 1.2391 1.3460 1.9539 2.1622 2.5913 2.5950 3.6295 3.7025 3.7278 3.7785 3.8861 3.9066 3.9465 4.0238 4.0471 4.1163 4.3021 4.3784 4.6794 4.7117 4.8247 4.8526 4.9705 5.0109 5.0581 5.0801 5.1234 5.1343 5.2012 5.2634 5.2744 5.2973 5.7229 5.7787 6.0448 6.0959 6.2488 6.2697 6.7483 6.8118 7.3556 7.4001 9.3010 9.4027 10.1508 10.2094 10.5079 10.5644 10.8034 10.8675 12.0174 12.0712 k = 0.1607-0.2800-0.5339 ( 7861 PWs) bands (ev): -44.9827 -44.9827 -17.0292 -17.0291 -16.8560 -16.8560 -16.8447 -16.8446 -5.2894 -5.2881 -3.1644 -3.1635 1.2003 1.2949 1.9781 2.1744 2.5839 2.5874 3.6133 3.6969 3.7163 3.7649 3.8853 3.8989 3.9425 4.0136 4.0468 4.1132 4.2986 4.3722 4.6754 4.7035 4.8197 4.8438 4.9593 5.0138 5.0442 5.0790 5.1259 5.1290 5.1781 5.2420 5.2624 5.2896 5.7062 5.7592 5.9907 6.0479 6.1923 6.2097 6.6912 6.7582 7.3148 7.3567 9.3846 9.4852 10.1744 10.2195 10.5803 10.6324 10.7929 10.8491 11.9517 11.9991 k = 0.1674-0.2917-0.5561 ( 7859 PWs) bands (ev): -44.9827 -44.9827 -17.0293 -17.0291 -16.8562 -16.8562 -16.8447 -16.8446 -5.2578 -5.2565 -3.1434 -3.1425 1.1611 1.2448 2.0030 2.1882 2.5735 2.5768 3.5935 3.6898 3.7051 3.7501 3.8838 3.8969 3.9401 4.0031 4.0464 4.1097 4.2968 4.3671 4.6699 4.6951 4.8130 4.8342 4.9455 5.0129 5.0331 5.0769 5.1186 5.1280 5.1614 5.2215 5.2531 5.2836 5.6915 5.7424 5.9402 6.0045 6.1391 6.1530 6.6333 6.7030 7.2746 7.3141 9.4692 9.5689 10.1901 10.2227 10.6550 10.7047 10.7884 10.8380 11.8890 11.9320 k = 0.1741-0.3034-0.5784 ( 7857 PWs) bands (ev): -44.9827 -44.9827 -17.0294 -17.0292 -16.8564 -16.8563 -16.8447 -16.8446 -5.2262 -5.2248 -3.1224 -3.1215 1.1222 1.1963 2.0278 2.2029 2.5596 2.5628 3.5715 3.6799 3.6946 3.7365 3.8793 3.9017 3.9391 3.9935 4.0458 4.1058 4.2963 4.3629 4.6625 4.6871 4.8044 4.8241 4.9300 4.9999 5.0325 5.0733 5.1024 5.1296 5.1529 5.2032 5.2462 5.2794 5.6778 5.7283 5.8933 5.9658 6.0889 6.1001 6.5751 6.6468 7.2348 7.2722 9.5546 9.6536 10.1963 10.2183 10.7303 10.7802 10.7911 10.8365 11.8305 11.8713 k = 0.1808-0.3150-0.6006 ( 7855 PWs) bands (ev): -44.9827 -44.9827 -17.0295 -17.0293 -16.8565 -16.8565 -16.8447 -16.8446 -5.1946 -5.1932 -3.1016 -3.1006 1.0842 1.1500 2.0520 2.2179 2.5419 2.5454 3.5485 3.6637 3.6881 3.7266 3.8731 3.9094 3.9392 3.9862 4.0450 4.1017 4.2967 4.3592 4.6528 4.6798 4.7941 4.8136 4.9133 4.9805 5.0367 5.0673 5.0838 5.1306 5.1499 5.1884 5.2414 5.2766 5.6638 5.7168 5.8499 5.9317 6.0414 6.0511 6.5173 6.5902 7.1954 7.2309 9.6403 9.7389 10.1921 10.2059 10.7908 10.8134 10.8476 10.8592 11.7770 11.8182 k = 0.1874-0.3267-0.6229 ( 7855 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0294 -16.8567 -16.8566 -16.8447 -16.8446 -5.1632 -5.1618 -3.0811 -3.0800 1.0478 1.1063 2.0751 2.2322 2.5203 2.5246 3.5256 3.6429 3.6854 3.7209 3.8655 3.9172 3.9398 3.9826 4.0438 4.0972 4.2977 4.3560 4.6410 4.6729 4.7823 4.8026 4.8960 4.9588 5.0395 5.0594 5.0658 5.1316 5.1498 5.1781 5.2383 5.2753 5.6489 5.7082 5.8097 5.9017 5.9963 6.0063 6.4605 6.5338 7.1562 7.1901 9.7254 9.8243 10.1767 10.1857 10.8117 10.8554 10.8976 10.9385 11.7293 11.7733 k = 0.1941-0.3384-0.6451 ( 7855 PWs) bands (ev): -44.9827 -44.9827 -17.0297 -17.0295 -16.8568 -16.8568 -16.8447 -16.8446 -5.1321 -5.1308 -3.0609 -3.0598 1.0134 1.0656 2.0964 2.2450 2.4950 2.5008 3.5038 3.6207 3.6856 3.7186 3.8569 3.9206 3.9433 3.9835 4.0423 4.0925 4.2990 4.3531 4.6278 4.6658 4.7693 4.7913 4.8785 4.9360 5.0327 5.0478 5.0587 5.1330 5.1513 5.1726 5.2368 5.2753 5.6327 5.7019 5.7728 5.8754 5.9539 5.9656 6.4055 6.4782 7.1173 7.1497 9.8086 9.9086 10.1511 10.1593 10.8360 10.8840 10.9730 11.0184 11.6883 11.7373 k = 0.2008-0.3500-0.6673 ( 7849 PWs) bands (ev): -44.9827 -44.9827 -17.0297 -17.0296 -16.8570 -16.8569 -16.8447 -16.8446 -5.1016 -5.1003 -3.0411 -3.0399 0.9814 1.0282 2.1152 2.2548 2.4665 2.4744 3.4837 3.5990 3.6884 3.7193 3.8474 3.9175 3.9517 3.9883 4.0404 4.0876 4.3004 4.3503 4.6136 4.6580 4.7555 4.7795 4.8610 4.9127 5.0172 5.0305 5.0639 5.1354 5.1538 5.1711 5.2367 5.2765 5.6154 5.6976 5.7392 5.8515 5.9151 5.9282 6.3528 6.4239 7.0785 7.1097 9.8862 9.9883 10.1191 10.1306 10.8668 10.9171 11.0491 11.0971 11.6552 11.7106 k = 0.2075-0.3617-0.6896 ( 7843 PWs) bands (ev): -44.9827 -44.9827 -17.0298 -17.0297 -16.8571 -16.8571 -16.8447 -16.8446 -5.0718 -5.0704 -3.0219 -3.0206 0.9522 0.9945 2.1304 2.2596 2.4360 2.4472 3.4660 3.5792 3.6938 3.7225 3.8375 3.9115 3.9619 3.9954 4.0384 4.0826 4.3017 4.3478 4.5987 4.6493 4.7413 4.7674 4.8439 4.8893 4.9991 5.0124 5.0711 5.1392 5.1569 5.1728 5.2377 5.2786 5.5972 5.6937 5.7097 5.8282 5.8813 5.8940 6.3031 6.3715 7.0398 7.0700 9.9458 10.0342 10.1063 10.1166 10.9030 10.9543 11.1225 11.1728 11.6314 11.6941 k = 0.2142-0.3734-0.7118 ( 7841 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0298 -16.8573 -16.8572 -16.8447 -16.8446 -5.0428 -5.0414 -3.0033 -3.0019 0.9263 0.9648 2.1402 2.2559 2.4056 2.4222 3.4511 3.5619 3.7015 3.7277 3.8275 3.9050 3.9721 4.0037 4.0363 4.0776 4.3028 4.3455 4.5835 4.6393 4.7269 4.7549 4.8271 4.8662 4.9796 4.9947 5.0789 5.1443 5.1603 5.1770 5.2399 5.2816 5.5785 5.6775 5.6966 5.8030 5.8542 5.8627 6.2569 6.3217 7.0013 7.0306 9.9574 10.0015 10.1306 10.1747 10.9426 10.9938 11.1902 11.2433 11.6183 11.6893 k = 0.2209-0.3850-0.7341 ( 7839 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0298 -16.8574 -16.8573 -16.8447 -16.8446 -5.0148 -5.0134 -2.9853 -2.9839 0.9037 0.9393 2.1421 2.2397 2.3778 2.4037 3.4393 3.5476 3.7106 3.7346 3.8180 3.8994 3.9810 4.0122 4.0346 4.0729 4.3035 4.3434 4.5681 4.6279 4.7127 4.7422 4.8106 4.8437 4.9587 4.9780 5.0870 5.1505 5.1637 5.1833 5.2432 5.2854 5.5596 5.6533 5.6951 5.7752 5.8321 5.8359 6.2149 6.2748 6.9629 6.9916 9.9234 9.9480 10.1885 10.2478 10.9834 11.0334 11.2493 11.3073 11.6170 11.6977 k = 0.2276-0.3967-0.7563 ( 7835 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0299 -16.8575 -16.8575 -16.8447 -16.8446 -4.9879 -4.9866 -2.9682 -2.9666 0.8849 0.9182 2.1329 2.2094 2.3556 2.3940 3.4308 3.5366 3.7194 3.7433 3.8098 3.8958 3.9875 4.0202 4.0339 4.0691 4.3038 4.3414 4.5527 4.6151 4.6987 4.7293 4.7942 4.8222 4.9371 4.9625 5.0952 5.1578 5.1670 5.1912 5.2478 5.2897 5.5408 5.6312 5.6947 5.7463 5.8070 5.8195 6.1775 6.2313 6.9247 6.9527 9.8713 9.8887 10.2546 10.3172 11.0224 11.0716 11.2979 11.3655 11.6265 11.7188 k = 0.2343-0.4084-0.7786 ( 7835 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8576 -16.8576 -16.8447 -16.8446 -4.9623 -4.9610 -2.9519 -2.9502 0.8701 0.9018 2.1102 2.1676 2.3414 2.3910 3.4257 3.5290 3.7253 3.7543 3.8039 3.8951 3.9904 4.0260 4.0357 4.0669 4.3034 4.3398 4.5373 4.6010 4.6851 4.7162 4.7776 4.8021 4.9152 4.9478 5.1031 5.1660 5.1704 5.2003 5.2537 5.2945 5.5224 5.6118 5.6941 5.7180 5.7838 5.8065 6.1452 6.1918 6.8869 6.9143 9.8116 9.8263 10.3176 10.3787 11.0562 11.1076 11.3383 11.4207 11.6439 11.7475 k = 0.2410-0.4200-0.8008 ( 7835 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0300 -16.8577 -16.8577 -16.8447 -16.8446 -4.9381 -4.9368 -2.9364 -2.9347 0.8593 0.8903 2.0744 2.1181 2.3352 2.3917 3.4241 3.5247 3.7263 3.7666 3.8018 3.8986 3.9894 4.0278 4.0410 4.0671 4.3023 4.3383 4.5220 4.5857 4.6719 4.7032 4.7601 4.7842 4.8937 4.9338 5.1108 5.1736 5.1748 5.2101 5.2612 5.2996 5.5045 5.5953 5.6878 5.6960 5.7637 5.7948 6.1182 6.1566 6.8493 6.8761 9.7478 9.7621 10.3722 10.4292 11.0832 11.1408 11.3765 11.4758 11.6665 11.7768 k = 0.2477-0.4317-0.8231 ( 7839 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0301 -16.8578 -16.8578 -16.8447 -16.8446 -4.9154 -4.9141 -2.9220 -2.9201 0.8528 0.8838 2.0284 2.0637 2.3346 2.3939 3.4257 3.5238 3.7231 3.7746 3.8075 3.9067 3.9850 4.0268 4.0479 4.0700 4.3005 4.3370 4.5068 4.5695 4.6590 4.6904 4.7419 4.7684 4.8727 4.9204 5.1180 5.1767 5.1840 5.2203 5.2702 5.3049 5.4873 5.5817 5.6642 5.6912 5.7478 5.7834 6.0966 6.1262 6.8122 6.8384 9.6820 9.6967 10.4150 10.4661 11.1042 11.1696 11.4188 11.5318 11.6945 11.8042 k = 0.2544-0.4434-0.8453 ( 7827 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0301 -16.8579 -16.8579 -16.8447 -16.8446 -4.8943 -4.8930 -2.9085 -2.9065 0.8506 0.8825 1.9752 2.0063 2.3371 2.3964 3.4305 3.5261 3.7170 3.7750 3.8225 3.9189 3.9781 4.0245 4.0552 4.0747 4.2977 4.3358 4.4914 4.5526 4.6464 4.6779 4.7235 4.7543 4.8528 4.9077 5.1247 5.1796 5.1933 5.2305 5.2808 5.3102 5.4709 5.5709 5.6411 5.6854 5.7366 5.7721 6.0805 6.1010 6.7756 6.8012 9.6152 9.6308 10.4436 10.4881 11.1214 11.1919 11.4692 11.5872 11.7320 11.8335 k = 0.2611-0.4550-0.8675 ( 7831 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0302 -16.8580 -16.8579 -16.8447 -16.8446 -4.8749 -4.8736 -2.8962 -2.8941 0.8528 0.8863 1.9169 1.9468 2.3409 2.3987 3.4383 3.5314 3.7094 3.7715 3.8418 3.9342 3.9693 4.0224 4.0624 4.0800 4.2940 4.3346 4.4757 4.5351 4.6339 4.6659 4.7056 4.7416 4.8340 4.8956 5.1308 5.1823 5.2027 5.2405 5.2925 5.3154 5.4554 5.5629 5.6201 5.6771 5.7301 5.7606 6.0694 6.0817 6.7395 6.7645 9.5484 9.5650 10.4576 10.4954 11.1352 11.2052 11.5295 11.6396 11.7839 11.8695 k = 0.2678-0.4667-0.8898 ( 7832 PWs) bands (ev): -44.9827 -44.9827 -17.0303 -17.0303 -16.8581 -16.8580 -16.8447 -16.8446 -4.8573 -4.8559 -2.8849 -2.8827 0.8595 0.8954 1.8553 1.8863 2.3450 2.4005 3.4488 3.5394 3.7012 3.7665 3.8621 3.9505 3.9587 4.0224 4.0694 4.0854 4.2894 4.3333 4.4597 4.5173 4.6216 4.6544 4.6889 4.7299 4.8168 4.8842 5.1364 5.1847 5.2117 5.2501 5.3049 5.3208 5.4410 5.5574 5.6015 5.6678 5.7266 5.7491 6.0616 6.0697 6.7041 6.7284 9.4822 9.4997 10.4579 10.4898 11.1438 11.2076 11.6002 11.6905 11.8510 11.9157 k = 0.2745-0.4784-0.9120 ( 7840 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0303 -16.8582 -16.8581 -16.8447 -16.8446 -4.8415 -4.8401 -2.8747 -2.8724 0.8705 0.9097 1.7915 1.8253 2.3488 2.4018 3.4618 3.5500 3.6931 3.7610 3.8808 3.9465 3.9663 4.0269 4.0764 4.0905 4.2839 4.3318 4.4430 4.4991 4.6096 4.6436 4.6740 4.7193 4.8011 4.8738 5.1414 5.1868 5.2201 5.2591 5.3174 5.3266 5.4278 5.5540 5.5855 5.6591 5.7246 5.7378 6.0556 6.0668 6.6693 6.6930 9.4173 9.4355 10.4471 10.4739 11.1441 11.1983 11.6803 11.7454 11.9292 11.9740 k = 0.2812-0.4900-0.9343 ( 7842 PWs) bands (ev): -44.9827 -44.9827 -17.0304 -17.0304 -16.8582 -16.8582 -16.8447 -16.8446 -4.8276 -4.8262 -2.8656 -2.8632 0.8858 0.9293 1.7264 1.7645 2.3519 2.4025 3.4770 3.5627 3.6855 3.7555 3.8952 3.9330 3.9807 4.0372 4.0838 4.0953 4.2776 4.3300 4.4258 4.4805 4.5982 4.6335 4.6611 4.7098 4.7873 4.8644 5.1458 5.1886 5.2275 5.2672 5.3290 5.3334 5.4158 5.5519 5.5720 5.6522 5.7232 5.7270 6.0538 6.0699 6.6354 6.6584 9.3539 9.3727 10.4280 10.4506 11.1339 11.1779 11.7674 11.8094 12.0123 12.0466 k = 0.2879-0.5017-0.9565 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0304 -16.8583 -16.8582 -16.8447 -16.8447 -4.8154 -4.8140 -2.8577 -2.8552 0.9048 0.9540 1.6608 1.7045 2.3542 2.4026 3.4939 3.5774 3.6787 3.7504 3.9029 3.9182 3.9961 4.0510 4.0923 4.1007 4.2706 4.3276 4.4081 4.4613 4.5875 4.6241 4.6505 4.7016 4.7754 4.8561 5.1497 5.1901 5.2336 5.2746 5.3380 5.3421 5.4052 5.5503 5.5614 5.6474 5.7169 5.7226 6.0575 6.0774 6.6023 6.6248 9.2926 9.3119 10.4033 10.4225 11.1128 11.1477 11.8567 11.8871 12.0958 12.1344 k = 0.2946-0.5134-0.9788 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0304 -16.8583 -16.8583 -16.8447 -16.8447 -4.8052 -4.8038 -2.8509 -2.8484 0.9273 0.9838 1.5950 1.6463 2.3556 2.4021 3.5124 3.5935 3.6732 3.7459 3.9016 3.9044 4.0141 4.0638 4.0996 4.1111 4.2632 4.3245 4.3901 4.4417 4.5780 4.6154 4.6421 4.6946 4.7654 4.8492 5.1532 5.1914 5.2381 5.2815 5.3456 5.3510 5.3961 5.5478 5.5543 5.6448 5.7084 5.7223 6.0667 6.0886 6.5701 6.5922 9.2337 9.2532 10.3755 10.3919 11.0819 11.1097 11.9430 11.9807 12.1812 12.2330 k = 0.3013-0.5250-1.0010 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0305 -16.8584 -16.8583 -16.8447 -16.8447 -4.7967 -4.7953 -2.8453 -2.8427 0.9522 1.0186 1.5296 1.5908 2.3559 2.4010 3.5317 3.6103 3.6692 3.7423 3.8850 3.9002 4.0332 4.0731 4.1046 4.1287 4.2556 4.3202 4.3726 4.4220 4.5699 4.6076 4.6357 4.6891 4.7574 4.8437 5.1562 5.1925 5.2409 5.2881 5.3524 5.3583 5.3890 5.5433 5.5512 5.6439 5.7019 5.7231 6.0812 6.1029 6.5388 6.5608 9.1774 9.1970 10.3464 10.3604 11.0430 11.0655 12.0295 12.0829 12.2707 12.3377 k = 0.3079-0.5367-1.0233 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0305 -17.0305 -16.8584 -16.8583 -16.8447 -16.8447 -4.7901 -4.7886 -2.8407 -2.8381 0.9782 1.0579 1.4650 1.5397 2.3553 2.3993 3.5513 3.6266 3.6680 3.7400 3.8672 3.8935 4.0502 4.0798 4.1107 4.1495 4.2482 4.3143 4.3564 4.4029 4.5632 4.6007 4.6310 4.6850 4.7513 4.8397 5.1587 5.1934 5.2422 5.2944 5.3567 5.3640 5.3848 5.5392 5.5493 5.6439 5.6982 5.7253 6.1002 6.1202 6.5085 6.5310 9.1240 9.1436 10.3175 10.3295 10.9978 11.0165 12.1175 12.1876 12.3645 12.4460 k = 0.3146-0.5484-1.0455 ( 7844 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8447 -4.7851 -4.7836 -2.8372 -2.8346 1.0032 1.1013 1.4020 1.4953 2.3537 2.3969 3.5701 3.6394 3.6718 3.7394 3.8489 3.8860 4.0622 4.0845 4.1206 4.1696 4.2419 4.3063 4.3430 4.3854 4.5578 4.5950 4.6278 4.6824 4.7471 4.8372 5.1607 5.1941 5.2426 5.3002 5.3568 5.3688 5.3844 5.5363 5.5476 5.6439 5.6982 5.7292 6.1230 6.1401 6.4792 6.5029 9.0736 9.0931 10.2901 10.3003 10.9479 10.9640 12.2045 12.2900 12.4622 12.5561 k = 0.3213-0.5600-1.0678 ( 7848 PWs) bands (ev): -44.9826 -44.9826 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7817 -4.7802 -2.8348 -2.8321 1.0236 1.1472 1.3421 1.4610 2.3511 2.3938 3.5868 3.6467 3.6820 3.7416 3.8303 3.8788 4.0686 4.0869 4.1342 4.1849 4.2382 4.2968 4.3338 4.3708 4.5538 4.5904 4.6260 4.6810 4.7448 4.8361 5.1621 5.1945 5.2424 5.3051 5.3538 5.3723 5.3870 5.5344 5.5458 5.6431 5.7021 5.7348 6.1483 6.1629 6.4509 6.4769 9.0265 9.0457 10.2652 10.2738 10.8944 10.9087 12.2858 12.3840 12.5630 12.6653 k = 0.3280-0.5717-1.0900 ( 7848 PWs) bands (ev): -44.9826 -44.9826 -17.0306 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7798 -4.7783 -2.8334 -2.8307 1.0350 1.1883 1.2927 1.4414 2.3477 2.3899 3.5994 3.6512 3.6938 3.7483 3.8120 3.8733 4.0717 4.0872 4.1473 4.1908 4.2389 4.2885 4.3306 4.3597 4.5510 4.5870 4.6253 4.6808 4.7442 4.8364 5.1629 5.1948 5.2420 5.3088 5.3495 5.3741 5.3911 5.5334 5.5441 5.6418 5.7098 5.7420 6.1738 6.1892 6.4239 6.4535 8.9827 9.0016 10.2436 10.2508 10.8381 10.8512 12.3518 12.4580 12.6657 12.7697 k = 0.3347-0.5834-1.1122 ( 7842 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7794 -4.7779 -2.8329 -2.8302 1.0332 1.1859 1.2923 1.4405 2.3435 2.3854 3.6071 3.6554 3.7024 3.7608 3.7945 3.8707 4.0729 4.0863 4.1542 4.1879 4.2413 4.2855 4.3356 4.3522 4.5494 4.5849 4.6257 4.6814 4.7454 4.8380 5.1630 5.1948 5.2416 5.3109 5.3449 5.3744 5.3957 5.5326 5.5430 5.6405 5.7205 5.7507 6.1978 6.2195 6.3982 6.4335 8.9422 8.9608 10.2261 10.2320 10.7797 10.7921 12.3835 12.4875 12.7687 12.8636 k = 0.3414-0.5950-1.1345 ( 7838 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7803 -4.7788 -2.8334 -2.8306 1.0173 1.1391 1.3417 1.4591 2.3385 2.3801 3.6100 3.6585 3.7067 3.7709 3.7862 3.8720 4.0731 4.0849 4.1513 4.1807 4.2418 4.2904 4.3450 4.3518 4.5490 4.5840 4.6272 4.6827 4.7481 4.8407 5.1625 5.1947 5.2415 5.3114 5.3403 5.3732 5.4008 5.5317 5.5428 5.6397 5.7335 5.7605 6.2195 6.2522 6.3744 6.4181 8.9051 8.9233 10.2132 10.2182 10.7193 10.7316 12.3516 12.4393 12.8702 12.9400 k = 0.6586-0.4618-1.0539 ( 7838 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8585 -16.8584 -16.8447 -16.8447 -4.7803 -4.7788 -2.8334 -2.8306 1.0173 1.1391 1.3417 1.4591 2.3385 2.3801 3.6100 3.6585 3.7067 3.7709 3.7862 3.8720 4.0731 4.0849 4.1513 4.1807 4.2418 4.2904 4.3450 4.3518 4.5490 4.5840 4.6272 4.6827 4.7481 4.8407 5.1625 5.1947 5.2415 5.3114 5.3403 5.3732 5.4008 5.5317 5.5428 5.6397 5.7335 5.7605 6.2195 6.2522 6.3744 6.4181 8.9051 8.9233 10.2132 10.2182 10.7193 10.7316 12.3516 12.4393 12.8702 12.9400 k = 0.6520-0.4370-1.0539 ( 7830 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0305 -16.8584 -16.8584 -16.8447 -16.8446 -4.7823 -4.7808 -2.8346 -2.8319 0.9903 1.0857 1.4027 1.4939 2.3329 2.3741 3.6095 3.6589 3.7078 3.7584 3.8053 3.8770 4.0724 4.0839 4.1402 4.1711 4.2408 4.3024 4.3438 4.3702 4.5496 4.5843 4.6297 4.6843 4.7523 4.8443 5.1612 5.1944 5.2417 5.3102 5.3359 5.3706 5.4065 5.5302 5.5438 5.6396 5.7477 5.7710 6.2376 6.2850 6.3534 6.4093 8.8718 8.8894 10.2057 10.2099 10.6579 10.6705 12.2452 12.3116 12.9676 13.0054 k = 0.6454-0.4122-1.0539 ( 7826 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8584 -16.8583 -16.8447 -16.8446 -4.7853 -4.7838 -2.8365 -2.8338 0.9560 1.0321 1.4688 1.5408 2.3268 2.3676 3.6065 3.6558 3.7067 3.7443 3.8293 3.8847 4.0708 4.0844 4.1250 4.1602 4.2395 4.3177 4.3447 4.3932 4.5512 4.5856 4.6332 4.6863 4.7577 4.8487 5.1593 5.1939 5.2419 5.3075 5.3318 5.3665 5.4130 5.5284 5.5457 5.6404 5.7628 5.7821 6.2500 6.3140 6.3387 6.4098 8.8414 8.8587 10.2038 10.2076 10.5945 10.6082 12.0864 12.1358 13.0593 13.0868 k = 0.6388-0.3874-1.0539 ( 7826 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8584 -16.8583 -16.8447 -16.8446 -4.7893 -4.7878 -2.8391 -2.8365 0.9174 0.9797 1.5382 1.5965 2.3203 2.3606 3.6014 3.6493 3.7042 3.7317 3.8542 3.8930 4.0682 4.0865 4.1087 4.1501 4.2391 4.3290 4.3533 4.4178 4.5538 4.5879 4.6378 4.6885 4.7640 4.8537 5.1568 5.1931 5.2422 5.3037 5.3278 5.3613 5.4205 5.5266 5.5481 5.6421 5.7779 5.7935 6.2549 6.3141 6.3545 6.4224 8.8139 8.8309 10.2077 10.2115 10.5289 10.5444 11.9019 11.9393 13.1495 13.1829 k = 0.6322-0.3626-1.0539 ( 7826 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8584 -16.8583 -16.8447 -16.8446 -4.7940 -4.7925 -2.8423 -2.8397 0.8770 0.9288 1.6101 1.6583 2.3135 2.3532 3.5942 3.6400 3.7006 3.7213 3.8781 3.9002 4.0649 4.0865 4.0968 4.1435 4.2399 4.3334 4.3711 4.4431 4.5572 4.5911 4.6435 4.6908 4.7712 4.8593 5.1536 5.1920 5.2421 5.2989 5.3239 5.3551 5.4289 5.5249 5.5507 5.6445 5.7923 5.8049 6.2524 6.3042 6.3825 6.4470 8.7891 8.8058 10.2178 10.2219 10.4604 10.4788 11.7074 11.7366 13.2421 13.2822 k = 0.6255-0.3378-1.0539 ( 7826 PWs) bands (ev): -44.9826 -44.9826 -17.0305 -17.0304 -16.8583 -16.8583 -16.8447 -16.8446 -4.7993 -4.7979 -2.8459 -2.8434 0.8359 0.8799 1.6838 1.7245 2.3066 2.3457 3.5852 3.6284 3.6959 3.7132 3.8980 3.9060 4.0605 4.0744 4.0998 4.1436 4.2421 4.3359 4.3920 4.4686 4.5615 4.5950 4.6502 4.6932 4.7790 4.8652 5.1499 5.1905 5.2413 5.2935 5.3199 5.3486 5.4381 5.5236 5.5533 5.6475 5.8050 5.8161 6.2452 6.2971 6.4111 6.4804 8.7666 8.7832 10.2338 10.2384 10.3886 10.4108 11.5117 11.5357 13.3275 13.3777 k = 0.6189-0.3130-1.0539 ( 7816 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0304 -16.8583 -16.8582 -16.8446 -16.8446 -4.8052 -4.8039 -2.8500 -2.8476 0.7952 0.8329 1.7585 1.7937 2.2998 2.3382 3.5744 3.6150 3.6905 3.7073 3.9026 3.9192 4.0539 4.0623 4.1069 4.1530 4.2457 4.3385 4.4133 4.4940 4.5665 4.5998 4.6581 4.6958 4.7872 4.8714 5.1457 5.1886 5.2394 5.2877 5.3158 5.3422 5.4482 5.5229 5.5556 5.6510 5.8155 5.8265 6.2366 6.2929 6.4413 6.5190 8.7461 8.7629 10.2526 10.2594 10.3149 10.3410 11.3199 11.3423 13.3607 13.4494 k = 0.6123-0.2882-1.0539 ( 7816 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0304 -16.8583 -16.8582 -16.8446 -16.8446 -4.8115 -4.8102 -2.8545 -2.8521 0.7554 0.7881 1.8333 1.8645 2.2934 2.3312 3.5621 3.6003 3.6848 3.7029 3.8996 3.9306 4.0453 4.0527 4.1178 4.1706 4.2507 4.3418 4.4343 4.5188 4.5723 4.6051 4.6671 4.6985 4.7957 4.8777 5.1410 5.1860 5.2361 5.2816 5.3116 5.3364 5.4589 5.5230 5.5577 5.6547 5.8235 5.8352 6.2285 6.2911 6.4743 6.5612 8.7274 8.7446 10.2196 10.2498 10.2933 10.2998 11.1369 11.1616 13.3091 13.4338 k = 0.6057-0.2634-1.0539 ( 7818 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0303 -16.8582 -16.8582 -16.8446 -16.8446 -4.8181 -4.8168 -2.8591 -2.8569 0.7169 0.7455 1.9073 1.9357 2.2880 2.3253 3.5485 3.5845 3.6793 3.6994 3.8935 3.9357 4.0370 4.0442 4.1342 4.1938 4.2572 4.3460 4.4546 4.5424 4.5792 4.6112 4.6770 4.7016 4.8042 4.8840 5.1359 5.1827 5.2312 5.2749 5.3073 5.3316 5.4700 5.5241 5.5594 5.6586 5.8290 5.8417 6.2220 6.2909 6.5108 6.6064 8.7103 8.7279 10.1304 10.1713 10.3193 10.3252 10.9699 10.9984 13.2086 13.3217 k = 0.5991-0.2386-1.0539 ( 7818 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0303 -16.8582 -16.8582 -16.8446 -16.8446 -4.8249 -4.8237 -2.8640 -2.8618 0.6801 0.7052 1.9789 2.0057 2.2845 2.3214 3.5338 3.5676 3.6743 3.6967 3.8854 3.9353 4.0299 4.0360 4.1561 4.2206 4.2652 4.3511 4.4738 4.5634 4.5880 4.6182 4.6876 4.7057 4.8127 4.8902 5.1303 5.1786 5.2249 5.2674 5.3033 5.3280 5.4810 5.5267 5.5608 5.6626 5.8319 5.8454 6.2173 6.2917 6.5518 6.6545 8.6944 8.7127 10.0288 10.0778 10.3419 10.3539 10.8303 10.8603 13.0864 13.1823 k = 0.5925-0.2138-1.0539 ( 7816 PWs) bands (ev): -44.9826 -44.9826 -17.0304 -17.0303 -16.8582 -16.8581 -16.8446 -16.8445 -4.8317 -4.8306 -2.8689 -2.8669 0.6451 0.6673 2.0456 2.0719 2.2851 2.3216 3.5182 3.5499 3.6700 3.6946 3.8762 3.9308 4.0236 4.0283 4.1818 4.2494 4.2750 4.3571 4.4920 4.5789 4.6006 4.6269 4.6975 4.7119 4.8211 4.8962 5.1243 5.1734 5.2175 5.2586 5.2998 5.3255 5.4913 5.5311 5.5619 5.6665 5.8325 5.8464 6.2143 6.2926 6.5977 6.7054 8.6796 8.6986 9.9160 9.9717 10.3428 10.3691 10.7374 10.7609 12.9562 13.0375 k = 0.5859-0.1891-1.0539 ( 7816 PWs) bands (ev): -44.9826 -44.9826 -17.0303 -17.0303 -16.8582 -16.8581 -16.8446 -16.8445 -4.8385 -4.8374 -2.8738 -2.8719 0.6122 0.6317 2.1034 2.1294 2.2940 2.3292 3.5018 3.5314 3.6665 3.6933 3.8663 3.9239 4.0175 4.0215 4.2097 4.2773 4.2888 4.3642 4.5092 4.5892 4.6143 4.6393 4.7053 4.7221 4.8292 4.9021 5.1179 5.1672 5.2093 5.2487 5.2966 5.3237 5.5002 5.5376 5.5630 5.6704 5.8311 5.8450 6.2127 6.2929 6.6487 6.7593 8.6657 8.6856 9.7928 9.8525 10.3047 10.3506 10.7094 10.7198 12.8250 12.8944 k = 0.5793-0.1643-1.0539 ( 7818 PWs) bands (ev): -44.9826 -44.9826 -17.0303 -17.0303 -16.8581 -16.8581 -16.8446 -16.8445 -4.8452 -4.8442 -2.8787 -2.8769 0.5814 0.5986 2.1464 2.1700 2.3190 2.3495 3.4846 3.5121 3.6639 3.6927 3.8563 3.9156 4.0113 4.0158 4.2378 4.2964 4.3136 4.3727 4.5256 4.5975 4.6247 4.6562 4.7122 4.7356 4.8369 4.9077 5.1111 5.1599 5.2007 5.2380 5.2936 5.3223 5.5073 5.5457 5.5650 5.6741 5.8279 5.8415 6.2119 6.2920 6.7049 6.8161 8.6525 8.6733 9.6615 9.7222 10.2362 10.2953 10.7345 10.7406 12.6969 12.7563 k = 0.5727-0.1395-1.0539 ( 7814 PWs) bands (ev): -44.9826 -44.9826 -17.0303 -17.0302 -16.8581 -16.8581 -16.8445 -16.8445 -4.8516 -4.8507 -2.8835 -2.8818 0.5528 0.5680 2.1712 2.1905 2.3626 2.3854 3.4667 3.4921 3.6623 3.6930 3.8464 3.9066 4.0053 4.0109 4.2639 4.3139 4.3411 4.3837 4.5415 4.6052 4.6325 4.6749 4.7203 4.7507 4.8443 4.9129 5.1041 5.1516 5.1916 5.2266 5.2907 5.3210 5.5131 5.5525 5.5702 5.6776 5.8236 5.8367 6.2115 6.2895 6.7659 6.8755 8.6401 8.6618 9.5257 9.5846 10.1581 10.2219 10.7907 10.7994 12.5746 12.6253 k = 0.5661-0.1147-1.0539 ( 7812 PWs) bands (ev): -44.9826 -44.9826 -17.0303 -17.0302 -16.8581 -16.8580 -16.8445 -16.8445 -4.8578 -4.8569 -2.8880 -2.8865 0.5265 0.5399 2.1818 2.1979 2.4169 2.4331 3.4484 3.4717 3.6618 3.6942 3.8368 3.8971 3.9998 4.0064 4.2860 4.3350 4.3634 4.3999 4.5576 4.6127 4.6389 4.6929 4.7311 4.7668 4.8511 4.9178 5.0970 5.1424 5.1824 5.2148 5.2879 5.3195 5.5179 5.5554 5.5805 5.6809 5.8186 5.8309 6.2109 6.2852 6.8309 6.9373 8.6282 8.6508 9.3889 9.4443 10.0804 10.1444 10.8662 10.8765 12.4598 12.5028 k = 0.5595-0.0899-1.0539 ( 7810 PWs) bands (ev): -44.9826 -44.9826 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8636 -4.8628 -2.8923 -2.8910 0.5027 0.5143 2.1846 2.1988 2.4741 2.4859 3.4298 3.4510 3.6624 3.6961 3.8276 3.8873 3.9950 4.0022 4.3039 4.3586 4.3787 4.4216 4.5746 4.6203 4.6446 4.7091 4.7455 4.7834 4.8573 4.9221 5.0898 5.1325 5.1729 5.2029 5.2850 5.3176 5.5220 5.5559 5.5937 5.6838 5.8135 5.8248 6.2098 6.2791 6.8991 7.0006 8.6170 8.6403 9.2545 9.3053 10.0062 10.0681 10.9537 10.9650 12.3538 12.3899 k = 0.5529-0.0651-1.0539 ( 7808 PWs) bands (ev): -44.9826 -44.9826 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8690 -4.8682 -2.8963 -2.8951 0.4812 0.4913 2.1839 2.1966 2.5302 2.5393 3.4112 3.4303 3.6641 3.6989 3.8189 3.8774 3.9908 3.9982 4.3190 4.3801 4.3920 4.4443 4.5929 4.6284 4.6496 4.7242 4.7627 4.8001 4.8629 4.9259 5.0826 5.1223 5.1632 5.1909 5.2822 5.3151 5.5257 5.5557 5.6079 5.6865 5.8086 5.8189 6.2079 6.2712 6.9693 7.0647 8.6063 8.6302 9.1254 9.1710 9.9363 9.9948 11.0492 11.0611 12.2575 12.2872 k = 0.5463-0.0403-1.0539 ( 7814 PWs) bands (ev): -44.9826 -44.9826 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8738 -4.8732 -2.9000 -2.8989 0.4623 0.4709 2.1818 2.1931 2.5833 2.5904 3.3928 3.4098 3.6669 3.7021 3.8109 3.8674 3.9873 3.9946 4.3326 4.3922 4.4108 4.4643 4.6119 4.6383 4.6541 4.7395 4.7812 4.8166 4.8680 4.9291 5.0757 5.1118 5.1535 5.1791 5.2794 5.3119 5.5290 5.5550 5.6220 5.6888 5.8040 5.8140 6.2052 6.2618 7.0403 7.1282 8.5963 8.6207 9.0042 9.0442 9.8713 9.9254 11.1502 11.1625 12.1714 12.1953 k = 0.5396-0.0155-1.0539 ( 7816 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8781 -4.8776 -2.9032 -2.9023 0.4459 0.4531 2.1792 2.1890 2.6321 2.6377 3.3750 3.3899 3.6706 3.7055 3.8039 3.8573 3.9845 3.9913 4.3452 4.3992 4.4304 4.4801 4.6275 4.6539 4.6579 4.7556 4.7999 4.8325 4.8725 4.9314 5.0693 5.1015 5.1440 5.1675 5.2768 5.3078 5.5318 5.5542 5.6356 5.6907 5.8000 5.8104 6.2019 6.2513 7.1104 7.1896 8.5869 8.6116 8.8930 8.9272 9.8120 9.8608 11.2543 11.2671 12.0958 12.1144 k = 0.5330 0.0093-1.0539 ( 7818 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8444 -4.8819 -4.8814 -2.9060 -2.9052 0.4320 0.4380 2.1767 2.1850 2.6756 2.6799 3.3584 3.3711 3.6752 3.7086 3.7982 3.8473 3.9822 3.9884 4.3569 4.4039 4.4473 4.4913 4.6375 4.6609 4.6766 4.7716 4.8177 4.8473 4.8770 4.9327 5.0634 5.0914 5.1351 5.1565 5.2746 5.3030 5.5343 5.5531 5.6481 5.6922 5.7969 5.8082 6.1983 6.2401 7.1778 7.2471 8.5781 8.6030 8.7940 8.8223 9.7594 9.8019 11.3590 11.3723 12.0303 12.0444 k = 0.5264 0.0341-1.0539 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8444 -4.8850 -4.8846 -2.9083 -2.9077 0.4207 0.4254 2.1745 2.1812 2.7130 2.7162 3.3436 3.3540 3.6804 3.7109 3.7943 3.8375 3.9806 3.9858 4.3677 4.4068 4.4613 4.4983 4.6447 4.6632 4.7022 4.7860 4.8338 4.8606 4.8821 4.9328 5.0586 5.0819 5.1273 5.1461 5.2729 5.2977 5.5364 5.5518 5.6590 5.6932 5.7951 5.8071 6.1947 6.2287 7.2404 7.2983 8.5695 8.5952 8.7091 8.7321 9.7147 9.7501 11.4612 11.4752 11.9743 11.9852 k = 0.5198 0.0589-1.0539 ( 7818 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8444 -4.8874 -4.8871 -2.9101 -2.9096 0.4121 0.4156 2.1729 2.1780 2.7434 2.7457 3.3312 3.3391 3.6861 3.7116 3.7928 3.8279 3.9795 3.9836 4.3776 4.4078 4.4728 4.5017 4.6505 4.6645 4.7275 4.7961 4.8476 4.8712 4.8888 4.9316 5.0549 5.0731 5.1213 5.1366 5.2721 5.2920 5.5385 5.5503 5.6683 5.6934 5.7950 5.8064 6.1920 6.2177 7.2955 7.3407 8.5601 8.5882 8.6403 8.6605 9.6793 9.7067 11.5572 11.5719 11.9260 11.9361 k = 0.5132 0.0837-1.0539 ( 7816 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8579 -16.8444 -16.8444 -4.8891 -4.8889 -2.9114 -2.9111 0.4060 0.4083 2.1719 2.1753 2.7660 2.7675 3.3219 3.3274 3.6920 3.7105 3.7939 3.8189 3.9790 3.9818 4.3863 4.4069 4.4822 4.5021 4.6554 4.6649 4.7508 4.7998 4.8592 4.8775 4.8980 4.9288 5.0529 5.0655 5.1175 5.1285 5.2724 5.2863 5.5405 5.5485 5.6758 5.6925 5.7964 5.8054 6.1906 6.2080 7.3403 7.3715 8.5478 8.5784 8.5919 8.6136 9.6543 9.6731 11.6421 11.6573 11.8838 11.8952 k = 0.5066 0.1085-1.0539 ( 7818 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8579 -16.8444 -16.8444 -4.8901 -4.8900 -2.9122 -2.9120 0.4026 0.4038 2.1717 2.1734 2.7800 2.7808 3.3166 3.3194 3.6978 3.7075 3.7975 3.8105 3.9790 3.9804 4.3938 4.4042 4.4899 4.5000 4.6594 4.6641 4.7707 4.7963 4.8688 4.8788 4.9082 4.9242 5.0528 5.0593 5.1163 5.1221 5.2740 5.2812 5.5425 5.5465 5.6819 5.6903 5.7989 5.8039 6.1913 6.2000 7.3720 7.3879 8.5351 8.5490 8.5831 8.5917 9.6409 9.6504 11.7103 11.7238 11.8477 11.8592 k = 0.5000 0.1333-1.0539 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8444 -16.8444 -4.8905 -4.8905 -2.9123 -2.9123 0.4019 0.4019 2.1721 2.1721 2.7850 2.7850 3.3157 3.3157 3.7031 3.7031 3.8032 3.8032 3.9795 3.9795 4.3998 4.3998 4.4958 4.4958 4.6623 4.6623 4.7862 4.7862 4.8756 4.8756 4.9173 4.9173 5.0550 5.0550 5.1179 5.1179 5.2769 5.2769 5.5445 5.5445 5.6867 5.6867 5.8016 5.8016 6.1944 6.1944 7.3882 7.3882 8.5331 8.5331 8.5840 8.5840 9.6396 9.6396 11.7486 11.7486 11.8335 11.8335 k = 0.5000 0.1333-1.0539 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8444 -16.8444 -4.8905 -4.8905 -2.9123 -2.9123 0.4019 0.4019 2.1721 2.1721 2.7850 2.7850 3.3157 3.3157 3.7031 3.7031 3.8032 3.8032 3.9795 3.9795 4.3998 4.3998 4.4958 4.4958 4.6623 4.6623 4.7862 4.7862 4.8756 4.8756 4.9173 4.9173 5.0550 5.0550 5.1179 5.1179 5.2769 5.2769 5.5445 5.5445 5.6867 5.6867 5.8016 5.8016 6.1944 6.1944 7.3882 7.3882 8.5331 8.5331 8.5840 8.5840 9.6396 9.6396 11.7486 11.7486 11.8335 11.8335 k = 0.5227 0.1393-1.0424 ( 7815 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8444 -16.8444 -4.8906 -4.8905 -2.9125 -2.9125 0.4022 0.4025 2.1726 2.1734 2.7847 2.7853 3.3153 3.3154 3.7020 3.7034 3.8032 3.8033 3.9782 3.9804 4.3988 4.3997 4.4951 4.4961 4.6616 4.6634 4.7850 4.7875 4.8738 4.8778 4.9170 4.9177 5.0548 5.0551 5.1179 5.1180 5.2765 5.2775 5.5440 5.5447 5.6849 5.6885 5.8005 5.8020 6.1909 6.1937 7.3872 7.3877 8.5282 8.5401 8.5819 8.5942 9.6441 9.6459 11.7514 11.7515 11.8257 11.8277 k = 0.5453 0.1453-1.0309 ( 7823 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8909 -4.8909 -2.9130 -2.9130 0.4035 0.4040 2.1747 2.1765 2.7843 2.7855 3.3142 3.3144 3.7002 3.7029 3.8031 3.8034 3.9768 3.9811 4.3967 4.3984 4.4939 4.4960 4.6616 4.6650 4.7840 4.7888 4.8723 4.8801 4.9168 4.9183 5.0548 5.0553 5.1178 5.1181 5.2762 5.2781 5.5433 5.5447 5.6829 5.6902 5.7986 5.8017 6.1835 6.1890 7.3848 7.3857 8.5270 8.5468 8.5903 8.6111 9.6595 9.6629 11.7595 11.7595 11.8059 11.8096 k = 0.5680 0.1514-1.0194 ( 7826 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8579 -16.8445 -16.8445 -4.8915 -4.8914 -2.9139 -2.9139 0.4057 0.4065 2.1784 2.1812 2.7838 2.7856 3.3124 3.3126 3.6976 3.7016 3.8030 3.8035 3.9753 3.9815 4.3937 4.3957 4.4923 4.4954 4.6621 4.6670 4.7831 4.7902 4.8710 4.8827 4.9169 4.9190 5.0547 5.0556 5.1177 5.1181 5.2759 5.2788 5.5423 5.5446 5.6807 5.6919 5.7961 5.8008 6.1724 6.1807 7.3809 7.3823 8.5297 8.5527 8.6092 8.6339 9.6856 9.6907 11.7628 11.7655 11.7863 11.7887 k = 0.5906 0.1574-1.0079 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8924 -4.8922 -2.9150 -2.9150 0.4088 0.4098 2.1837 2.1876 2.7833 2.7857 3.3100 3.3102 3.6943 3.6995 3.8030 3.8036 3.9736 3.9816 4.3898 4.3917 4.4903 4.4945 4.6632 4.6692 4.7824 4.7915 4.8700 4.8852 4.9172 4.9200 5.0547 5.0558 5.1177 5.1182 5.2757 5.2795 5.5409 5.5443 5.6782 5.6936 5.7930 5.7993 6.1582 6.1694 7.3758 7.3777 8.5359 8.5592 8.6367 8.6624 9.7220 9.7288 11.7303 11.7366 11.8006 11.8008 k = 0.6133 0.1634-0.9963 ( 7829 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8935 -4.8933 -2.9165 -2.9165 0.4127 0.4141 2.1904 2.1956 2.7827 2.7856 3.3069 3.3070 3.6903 3.6966 3.8030 3.8037 3.9719 3.9815 4.3853 4.3863 4.4878 4.4932 4.6649 4.6717 4.7820 4.7928 4.8690 4.8875 4.9181 4.9213 5.0548 5.0561 5.1176 5.1183 5.2755 5.2804 5.5391 5.5438 5.6755 5.6953 5.7893 5.7975 6.1415 6.1556 7.3695 7.3719 8.5449 8.5671 8.6713 8.6966 9.7685 9.7770 11.6875 11.6950 11.8263 11.8264 k = 0.6359 0.1695-0.9848 ( 7834 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8948 -4.8946 -2.9182 -2.9182 0.4175 0.4191 2.1984 2.2050 2.7821 2.7856 3.3030 3.3032 3.6857 3.6931 3.8030 3.8039 3.9702 3.9810 4.3795 4.3801 4.4850 4.4916 4.6672 4.6742 4.7818 4.7940 4.8682 4.8894 4.9197 4.9230 5.0549 5.0565 5.1175 5.1184 5.2753 5.2813 5.5370 5.5431 5.6723 5.6970 5.7853 5.7953 6.1233 6.1404 7.3623 7.3652 8.5559 8.5763 8.7123 8.7366 9.8244 9.8345 11.6421 11.6504 11.8579 11.8581 k = 0.6586 0.1755-0.9733 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8963 -4.8961 -2.9201 -2.9201 0.4230 0.4250 2.2073 2.2157 2.7815 2.7854 3.2984 3.2990 3.6805 3.6889 3.8031 3.8041 3.9686 3.9804 4.3714 4.3745 4.4817 4.4897 4.6700 4.6768 4.7818 4.7951 4.8672 4.8906 4.9222 4.9252 5.0551 5.0569 5.1173 5.1185 5.2750 5.2822 5.5344 5.5423 5.6686 5.6988 5.7811 5.7930 6.1043 6.1245 7.3543 7.3577 8.5682 8.5862 8.7594 8.7823 9.8891 9.9007 11.5968 11.6056 11.8947 11.8948 k = 0.6586 0.1755-0.9733 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8963 -4.8961 -2.9201 -2.9201 0.4230 0.4250 2.2073 2.2157 2.7815 2.7854 3.2984 3.2990 3.6805 3.6889 3.8031 3.8041 3.9686 3.9804 4.3714 4.3745 4.4817 4.4897 4.6700 4.6768 4.7818 4.7951 4.8672 4.8906 4.9222 4.9252 5.0551 5.0569 5.1173 5.1185 5.2750 5.2822 5.5344 5.5423 5.6686 5.6988 5.7811 5.7930 6.1043 6.1245 7.3543 7.3577 8.5682 8.5862 8.7594 8.7823 9.8891 9.9007 11.5968 11.6056 11.8947 11.8948 k = 0.6547 0.1745-0.9476 ( 7828 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0301 -16.8579 -16.8579 -16.8445 -16.8445 -4.9035 -4.9032 -2.9254 -2.9254 0.4343 0.4379 2.2065 2.2213 2.7792 2.7844 3.3018 3.3060 3.6817 3.6973 3.8058 3.8060 3.9608 3.9779 4.3663 4.3788 4.4701 4.4813 4.6773 4.6798 4.7770 4.7940 4.8703 4.8954 4.9348 4.9371 5.0561 5.0588 5.1190 5.1194 5.2744 5.2845 5.5346 5.5439 5.6681 5.7125 5.7835 5.7999 6.1039 6.1302 7.3566 7.3611 8.5532 8.5731 8.7542 8.7819 9.9095 9.9242 11.5878 11.5978 11.8985 11.8987 k = 0.6508 0.1735-0.9219 ( 7826 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0301 -16.8578 -16.8578 -16.8445 -16.8445 -4.9134 -4.9130 -2.9326 -2.9325 0.4506 0.4557 2.2062 2.2275 2.7763 2.7826 3.3076 3.3153 3.6822 3.7043 3.8083 3.8092 3.9532 3.9747 4.3604 4.3826 4.4557 4.4702 4.6829 4.6846 4.7741 4.7921 4.8763 4.8973 4.9510 4.9535 5.0578 5.0616 5.1198 5.1222 5.2735 5.2865 5.5351 5.5450 5.6701 5.7272 5.7871 5.8071 6.1090 6.1403 7.3601 7.3659 8.5355 8.5555 8.7597 8.7905 9.9330 9.9507 11.5815 11.5928 11.9031 11.9037 k = 0.6470 0.1724-0.8962 ( 7826 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0301 -16.8578 -16.8578 -16.8445 -16.8445 -4.9259 -4.9254 -2.9414 -2.9413 0.4717 0.4783 2.2062 2.2340 2.7728 2.7803 3.3159 3.3271 3.6822 3.7100 3.8113 3.8130 3.9462 3.9707 4.3536 4.3856 4.4394 4.4572 4.6860 4.6914 4.7737 4.7904 4.8839 4.8988 4.9660 4.9750 5.0604 5.0656 5.1206 5.1259 5.2722 5.2881 5.5360 5.5458 5.6751 5.7427 5.7923 5.8151 6.1190 6.1539 7.3650 7.3719 8.5178 8.5370 8.7732 8.8062 9.9592 9.9797 11.5779 11.5904 11.9086 11.9096 k = 0.6431 0.1714-0.8705 ( 7834 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8577 -16.8577 -16.8445 -16.8445 -4.9409 -4.9403 -2.9520 -2.9519 0.4974 0.5057 2.2063 2.2408 2.7688 2.7772 3.3266 3.3410 3.6817 3.7142 3.8150 3.8172 3.9399 3.9657 4.3461 4.3869 4.4219 4.4436 4.6892 4.6970 4.7760 4.7891 4.8924 4.9008 4.9812 4.9971 5.0645 5.0710 5.1216 5.1305 5.2703 5.2891 5.5375 5.5467 5.6832 5.7590 5.7997 5.8247 6.1329 6.1700 7.3713 7.3792 8.5019 8.5201 8.7923 8.8274 9.9879 10.0112 11.5770 11.5909 11.9149 11.9162 k = 0.6392 0.1704-0.8448 ( 7834 PWs) bands (ev): -44.9827 -44.9827 -17.0301 -17.0300 -16.8577 -16.8576 -16.8445 -16.8445 -4.9582 -4.9575 -2.9642 -2.9641 0.5275 0.5377 2.2064 2.2477 2.7642 2.7736 3.3396 3.3572 3.6811 3.7171 3.8192 3.8216 3.9345 3.9598 4.3380 4.3850 4.4038 4.4313 4.6927 4.7010 4.7814 4.7885 4.9011 4.9037 4.9954 5.0179 5.0710 5.0784 5.1228 5.1363 5.2677 5.2895 5.5398 5.5484 5.6944 5.7759 5.8096 5.8370 6.1498 6.1877 7.3788 7.3877 8.4893 8.5064 8.8158 8.8532 10.0189 10.0450 11.5788 11.5942 11.9218 11.9235 k = 0.6354 0.1693-0.8191 ( 7839 PWs) bands (ev): -44.9827 -44.9827 -17.0300 -17.0299 -16.8576 -16.8575 -16.8446 -16.8445 -4.9777 -4.9769 -2.9780 -2.9778 0.5618 0.5739 2.2063 2.2544 2.7592 2.7694 3.3549 3.3755 3.6806 3.7187 3.8242 3.8262 3.9299 3.9530 4.3293 4.3778 4.3857 4.4230 4.6965 4.7032 4.7885 4.7898 4.9076 4.9099 5.0076 5.0347 5.0819 5.0878 5.1243 5.1433 5.2645 5.2891 5.5431 5.5513 5.7086 5.7931 5.8226 5.8530 6.1685 6.2064 7.3877 7.3975 8.4806 8.4969 8.8432 8.8832 10.0519 10.0808 11.5833 11.6003 11.9291 11.9312 k = 0.6315 0.1683-0.7934 ( 7827 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0298 -16.8574 -16.8574 -16.8446 -16.8445 -4.9992 -4.9983 -2.9931 -2.9929 0.6000 0.6143 2.2057 2.2609 2.7537 2.7645 3.3721 3.3957 3.6805 3.7193 3.8298 3.8311 3.9260 3.9452 4.3197 4.3649 4.3686 4.4193 4.7006 4.7039 4.7892 4.8004 4.9124 4.9184 5.0176 5.0459 5.0982 5.0991 5.1265 5.1516 5.2606 5.2880 5.5475 5.5559 5.7257 5.8109 5.8390 5.8732 6.1880 6.2252 7.3979 7.4084 8.4766 8.4920 8.8741 8.9172 10.0867 10.1184 11.5905 11.6091 11.9368 11.9392 k = 0.6276 0.1673-0.7677 ( 7825 PWs) bands (ev): -44.9827 -44.9827 -17.0299 -17.0298 -16.8573 -16.8573 -16.8446 -16.8445 -5.0225 -5.0215 -3.0097 -3.0094 0.6418 0.6586 2.2045 2.2668 2.7477 2.7591 3.3912 3.4174 3.6809 3.7191 3.8361 3.8362 3.9226 3.9366 4.3089 4.3485 4.3534 4.4183 4.7034 4.7050 4.7907 4.8126 4.9181 4.9265 5.0254 5.0527 5.1115 5.1158 5.1317 5.1614 5.2561 5.2865 5.5533 5.5626 5.7457 5.8298 5.8590 5.8979 6.2076 6.2436 7.4093 7.4205 8.4773 8.4921 8.9085 8.9551 10.1232 10.1578 11.6002 11.6208 11.9445 11.9473 k = 0.6238 0.1662-0.7420 ( 7835 PWs) bands (ev): -44.9827 -44.9827 -17.0298 -17.0297 -16.8572 -16.8572 -16.8446 -16.8445 -5.0474 -5.0464 -3.0274 -3.0271 0.6870 0.7065 2.2025 2.2721 2.7414 2.7531 3.4119 3.4404 3.6823 3.7185 3.8416 3.8429 3.9197 3.9274 4.2964 4.3305 4.3410 4.4185 4.7023 4.7093 4.7930 4.8256 4.9249 4.9341 5.0315 5.0573 5.1240 5.1245 5.1477 5.1726 5.2512 5.2847 5.5604 5.5715 5.7686 5.8505 5.8831 5.9265 6.2266 6.2611 7.4221 7.4338 8.4828 8.4971 8.9463 8.9970 10.1610 10.1986 11.6124 11.6352 11.9519 11.9551 k = 0.6199 0.1652-0.7163 ( 7841 PWs) bands (ev): -44.9827 -44.9827 -17.0298 -17.0297 -16.8571 -16.8571 -16.8446 -16.8445 -5.0737 -5.0726 -3.0462 -3.0459 0.7353 0.7577 2.1995 2.2765 2.7346 2.7465 3.4336 3.4640 3.6849 3.7178 3.8474 3.8500 3.9171 3.9180 4.2821 4.3120 4.3319 4.4189 4.7007 4.7135 4.7962 4.8386 4.9326 4.9410 5.0364 5.0606 5.1278 5.1359 5.1696 5.1850 5.2463 5.2831 5.5691 5.5825 5.7945 5.8740 5.9112 5.9589 6.2444 6.2775 7.4360 7.4482 8.4931 8.5069 8.9875 9.0429 10.2000 10.2408 11.6268 11.6522 11.9588 11.9623 k = 0.6160 0.1642-0.6906 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0297 -17.0296 -16.8570 -16.8570 -16.8446 -16.8445 -5.1012 -5.1001 -3.0660 -3.0656 0.7862 0.8120 2.1955 2.2799 2.7275 2.7395 3.4558 3.4875 3.6893 3.7177 3.8534 3.8573 3.9090 3.9150 4.2666 4.2934 4.3256 4.4195 4.6989 4.7172 4.8003 4.8510 4.9414 4.9471 5.0406 5.0632 5.1302 5.1468 5.1918 5.1980 5.2421 5.2822 5.5794 5.5957 5.8237 5.9008 5.9434 5.9946 6.2608 6.2925 7.4512 7.4637 8.5080 8.5213 9.0323 9.0929 10.2399 10.2842 11.6434 11.6716 11.9646 11.9684 k = 0.6122 0.1631-0.6649 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0295 -16.8568 -16.8568 -16.8446 -16.8445 -5.1297 -5.1285 -3.0866 -3.0862 0.8396 0.8690 2.1902 2.2823 2.7201 2.7319 3.4775 3.5097 3.6959 3.7187 3.8594 3.8637 3.9017 3.9135 4.2507 4.2750 4.3219 4.4203 4.6970 4.7202 4.8053 4.8623 4.9512 4.9524 5.0442 5.0652 5.1324 5.1563 5.2109 5.2120 5.2403 5.2829 5.5913 5.6109 5.8562 5.9314 5.9796 6.0333 6.2754 6.3061 7.4677 7.4803 8.5270 8.5399 9.0806 9.1471 10.2806 10.3286 11.6617 11.6934 11.9689 11.9729 k = 0.6083 0.1621-0.6392 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0296 -17.0294 -16.8567 -16.8566 -16.8446 -16.8445 -5.1590 -5.1578 -3.1078 -3.1075 0.8949 0.9285 2.1838 2.2837 2.7123 2.7239 3.4976 3.5294 3.7054 3.7216 3.8653 3.8672 3.8987 3.9130 4.2347 4.2571 4.3201 4.4212 4.6952 4.7227 4.8111 4.8720 4.9568 4.9621 5.0476 5.0667 5.1342 5.1642 5.2230 5.2238 5.2475 5.2860 5.6051 5.6281 5.8922 5.9661 6.0195 6.0749 6.2884 6.3183 7.4852 7.4979 8.5498 8.5621 9.1325 9.2054 10.3217 10.3738 11.6813 11.7173 11.9711 11.9750 k = 0.6044 0.1611-0.6135 ( 7846 PWs) bands (ev): -44.9827 -44.9827 -17.0295 -17.0293 -16.8565 -16.8565 -16.8446 -16.8445 -5.1889 -5.1877 -3.1297 -3.1293 0.9518 0.9901 2.1761 2.2840 2.7043 2.7155 3.5148 3.5453 3.7181 3.7273 3.8661 3.8709 3.9022 3.9139 4.2192 4.2396 4.3202 4.4225 4.6935 4.7244 4.8173 4.8798 4.9604 4.9737 5.0507 5.0678 5.1355 5.1705 5.2263 5.2338 5.2650 5.2921 5.6207 5.6473 5.9318 6.0053 6.0630 6.1189 6.2998 6.3295 7.5039 7.5165 8.5759 8.5875 9.1877 9.2679 10.3632 10.4197 11.7017 11.7428 11.9704 11.9740 k = 0.6006 0.1601-0.5877 ( 7852 PWs) bands (ev): -44.9827 -44.9827 -17.0294 -17.0292 -16.8564 -16.8563 -16.8447 -16.8445 -5.2192 -5.2180 -3.1519 -3.1515 1.0101 1.0536 2.1673 2.2835 2.6960 2.7066 3.5277 3.5562 3.7339 3.7365 3.8628 3.8762 3.9107 3.9168 4.2044 4.2229 4.3219 4.4243 4.6921 4.7256 4.8238 4.8858 4.9630 4.9856 5.0537 5.0686 5.1358 5.1748 5.2281 5.2436 5.2846 5.3012 5.6383 5.6685 5.9748 6.0490 6.1098 6.1649 6.3101 6.3401 7.5237 7.5362 8.6047 8.6154 9.2463 9.3342 10.4046 10.4661 11.7218 11.7696 11.9662 11.9685 k = 0.5967 0.1590-0.5620 ( 7845 PWs) bands (ev): -44.9827 -44.9827 -17.0293 -17.0291 -16.8562 -16.8561 -16.8447 -16.8445 -5.2498 -5.2485 -3.1745 -3.1740 1.0691 1.1186 2.1573 2.2822 2.6875 2.6975 3.5351 3.5619 3.7496 3.7519 3.8606 3.8812 3.9215 3.9218 4.1903 4.2068 4.3251 4.4269 4.6909 4.7263 4.8302 4.8900 4.9648 4.9973 5.0566 5.0692 5.1351 5.1772 5.2318 5.2532 5.3039 5.3124 5.6582 5.6917 6.0206 6.0974 6.1596 6.2116 6.3206 6.3509 7.5445 7.5568 8.6357 8.6450 9.3078 9.4043 10.4459 10.5129 11.7403 11.7967 11.9572 11.9575 k = 0.5928 0.1580-0.5363 ( 7853 PWs) bands (ev): -44.9827 -44.9827 -17.0292 -17.0290 -16.8560 -16.8560 -16.8447 -16.8445 -5.2804 -5.2791 -3.1972 -3.1967 1.1287 1.1848 2.1464 2.2803 2.6789 2.6880 3.5370 3.5624 3.7660 3.7705 3.8611 3.8866 3.9280 3.9347 4.1771 4.1915 4.3299 4.4304 4.6900 4.7266 4.8363 4.8926 4.9657 5.0082 5.0594 5.0698 5.1333 5.1779 5.2381 5.2633 5.3225 5.3248 5.6805 5.7172 6.0684 6.1503 6.2120 6.2558 6.3344 6.3631 7.5663 7.5783 8.6683 8.6758 9.3719 9.4776 10.4866 10.5598 11.7547 11.8225 11.9378 11.9436 k = 0.5890 0.1570-0.5106 ( 7852 PWs) bands (ev): -44.9827 -44.9827 -17.0291 -17.0289 -16.8558 -16.8558 -16.8447 -16.8445 -5.3109 -5.3096 -3.2199 -3.2194 1.1882 1.2520 2.1347 2.2781 2.6702 2.6783 3.5338 3.5583 3.7846 3.7878 3.8655 3.8927 3.9359 3.9490 4.1648 4.1771 4.3361 4.4351 4.6895 4.7267 4.8419 4.8937 4.9658 5.0179 5.0620 5.0706 5.1307 5.1772 5.2472 5.2744 5.3378 5.3401 5.7055 5.7450 6.1163 6.2075 6.2670 6.2891 6.3605 6.3787 7.5890 7.6007 8.7017 8.7068 9.4381 9.5537 10.5267 10.6067 11.7609 11.8422 11.9080 11.9240 k = 0.5851 0.1559-0.4849 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0290 -17.0288 -16.8556 -16.8556 -16.8447 -16.8445 -5.3411 -5.3398 -3.2425 -3.2420 1.2473 1.3196 2.1223 2.2759 2.6615 2.6685 3.5262 3.5501 3.8027 3.8040 3.8737 3.9000 3.9448 3.9644 4.1536 4.1636 4.3438 4.4413 4.6893 4.7266 4.8470 4.8935 4.9650 5.0258 5.0645 5.0718 5.1273 5.1754 5.2587 5.2866 5.3508 5.3567 5.7335 5.7754 6.1616 6.2679 6.3072 6.3244 6.4005 6.4043 7.6125 7.6238 8.7355 8.7374 9.5056 9.6317 10.5657 10.6535 11.7519 11.8258 11.8844 11.8988 k = 0.5812 0.1549-0.4592 ( 7847 PWs) bands (ev): -44.9828 -44.9828 -17.0289 -17.0287 -16.8555 -16.8554 -16.8447 -16.8445 -5.3709 -5.3696 -3.2649 -3.2645 1.3055 1.3875 2.1095 2.2741 2.6527 2.6586 3.5150 3.5385 3.8154 3.8231 3.8848 3.9083 3.9544 3.9806 4.1436 4.1510 4.3531 4.4492 4.6894 4.7264 4.8513 4.8921 4.9635 5.0314 5.0667 5.0737 5.1236 5.1730 5.2723 5.2998 5.3634 5.3722 5.7646 5.8084 6.2008 6.3091 6.3397 6.3843 6.4319 6.4584 7.6368 7.6476 8.7665 8.7688 9.5738 9.7107 10.6034 10.7000 11.7193 11.7446 11.8675 11.8785 k = 0.5774 0.1539-0.4335 ( 7855 PWs) bands (ev): -44.9828 -44.9828 -17.0288 -17.0287 -16.8553 -16.8553 -16.8447 -16.8445 -5.4002 -5.3989 -3.2870 -3.2865 1.3623 1.4553 2.0964 2.2729 2.6441 2.6486 3.5011 3.5241 3.8268 3.8413 3.8972 3.9174 3.9645 3.9970 4.1348 4.1395 4.3639 4.4589 4.6899 4.7260 4.8548 4.8898 4.9613 5.0348 5.0687 5.0762 5.1197 5.1702 5.2876 5.3139 5.3756 5.3867 5.7990 5.8440 6.2315 6.3166 6.4064 6.4467 6.4752 6.5175 7.6617 7.6720 8.7931 8.8007 9.6417 9.7895 10.6395 10.7458 11.6352 11.6612 11.8271 11.8522 k = 0.5735 0.1528-0.4078 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0287 -17.0286 -16.8552 -16.8552 -16.8447 -16.8446 -5.4287 -5.4275 -3.3087 -3.3082 1.4171 1.5225 2.0833 2.2729 2.6356 2.6386 3.4850 3.5074 3.8378 3.8584 3.9096 3.9268 3.9746 4.0126 4.1274 4.1293 4.3763 4.4705 4.6908 4.7256 4.8574 4.8866 4.9584 5.0362 5.0704 5.0791 5.1157 5.1671 5.3040 5.3285 5.3872 5.4000 5.8367 5.8821 6.2544 6.3216 6.4779 6.5110 6.5307 6.5803 7.6871 7.6969 8.8162 8.8303 9.7084 9.8665 10.6735 10.7906 11.5194 11.5859 11.7755 11.8048 k = 0.5696 0.1518-0.3821 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0286 -17.0285 -16.8550 -16.8550 -16.8447 -16.8445 -5.4565 -5.4553 -3.3298 -3.3293 1.4695 1.5887 2.0707 2.2745 2.6272 2.6288 3.4672 3.4890 3.8490 3.8743 3.9214 3.9358 3.9843 4.0268 4.1204 4.1213 4.3902 4.4840 4.6921 4.7251 4.8592 4.8828 4.9551 5.0358 5.0718 5.0820 5.1119 5.1638 5.3212 5.3435 5.3982 5.4124 5.8774 5.9222 6.2723 6.3272 6.5513 6.5744 6.5984 6.6463 7.7130 7.7222 8.8343 8.8564 9.7730 9.9400 10.7046 10.8334 11.4093 11.5057 11.7140 11.7452 k = 0.5658 0.1508-0.3564 ( 7856 PWs) bands (ev): -44.9828 -44.9828 -17.0285 -17.0284 -16.8548 -16.8548 -16.8447 -16.8445 -5.4834 -5.4822 -3.3504 -3.3499 1.5188 1.6531 2.0591 2.2781 2.6191 2.6192 3.4480 3.4692 3.8603 3.8893 3.9321 3.9441 3.9931 4.0388 4.1132 4.1166 4.4055 4.4993 4.6937 4.7245 4.8601 4.8784 4.9514 5.0341 5.0728 5.0845 5.1085 5.1605 5.3386 5.3585 5.4086 5.4237 5.9203 5.9633 6.2891 6.3350 6.6253 6.6375 6.6750 6.7161 7.7391 7.7478 8.8461 8.8775 9.8347 10.0078 10.7317 10.8728 11.3122 11.4305 11.6448 11.6776 k = 0.5619 0.1497-0.3307 ( 7844 PWs) bands (ev): -44.9828 -44.9828 -17.0284 -17.0283 -16.8546 -16.8546 -16.8447 -16.8445 -5.5092 -5.5081 -3.3701 -3.3697 1.5646 1.7149 2.0493 2.2841 2.6097 2.6114 3.4278 3.4484 3.8719 3.9035 3.9418 3.9515 4.0009 4.0479 4.1081 4.1133 4.4219 4.5160 4.6956 4.7239 4.8600 4.8735 4.9474 5.0314 5.0735 5.0863 5.1056 5.1571 5.3558 5.3735 5.4183 5.4340 5.9642 6.0038 6.3081 6.3469 6.6985 6.7012 6.7569 6.7901 7.7655 7.7734 8.8500 8.8919 9.8931 10.0679 10.7524 10.9058 11.2344 11.3678 11.5696 11.6041 k = 0.5580 0.1487-0.3050 ( 7854 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0282 -16.8545 -16.8545 -16.8447 -16.8445 -5.5339 -5.5328 -3.3891 -3.3887 1.6062 1.7724 2.0426 2.2930 2.6005 2.6041 3.4068 3.4270 3.8836 3.9168 3.9503 3.9579 4.0076 4.0541 4.1052 4.1112 4.4392 4.5339 4.6979 4.7233 4.8590 4.8684 4.9433 5.0278 5.0739 5.0869 5.1037 5.1538 5.3725 5.3880 5.4274 5.4433 6.0069 6.0413 6.3330 6.3652 6.7656 6.7698 6.8426 6.8684 7.7920 7.7992 8.8445 8.8978 9.9482 10.1186 10.7631 10.9273 11.1819 11.3246 11.4901 11.5265 k = 0.5542 0.1477-0.2793 ( 7856 PWs) bands (ev): -44.9828 -44.9828 -17.0283 -17.0281 -16.8543 -16.8543 -16.8447 -16.8446 -5.5574 -5.5564 -3.4072 -3.4068 1.6434 1.8229 2.0419 2.3050 2.5917 2.5972 3.3853 3.4050 3.8950 3.9290 3.9576 3.9634 4.0136 4.0576 4.1046 4.1102 4.4571 4.5526 4.7004 4.7225 4.8571 4.8630 4.9392 5.0235 5.0740 5.0862 5.1030 5.1505 5.3883 5.4019 5.4358 5.4518 6.0458 6.0731 6.3671 6.3927 6.8302 6.8389 6.9310 6.9505 7.8185 7.8248 8.8284 8.8931 10.0004 10.1594 10.7601 10.9314 11.1583 11.3062 11.4082 11.4473 k = 0.5503 0.1467-0.2536 ( 7854 PWs) bands (ev): -44.9828 -44.9828 -17.0282 -17.0280 -16.8542 -16.8542 -16.8447 -16.8446 -5.5796 -5.5787 -3.4244 -3.4240 1.6759 1.8618 2.0513 2.3201 2.5833 2.5908 3.3635 3.3828 3.9061 3.9396 3.9637 3.9683 4.0192 4.0595 4.1055 4.1100 4.4752 4.5716 4.7033 4.7216 4.8542 4.8575 4.9353 5.0184 5.0737 5.0844 5.1033 5.1473 5.4032 5.4151 5.4437 5.4594 6.0780 6.0977 6.4123 6.4320 6.8948 6.9057 7.0209 7.0353 7.8450 7.8504 8.8009 8.8763 10.0505 10.1915 10.7435 10.9153 11.1596 11.3034 11.3352 11.3711 k = 0.5464 0.1456-0.2279 ( 7852 PWs) bands (ev): -44.9828 -44.9828 -17.0281 -17.0280 -16.8540 -16.8540 -16.8447 -16.8446 -5.6004 -5.5996 -3.4406 -3.4401 1.7037 1.8854 2.0746 2.3381 2.5754 2.5850 3.3416 3.3605 3.9166 3.9480 3.9684 3.9728 4.0252 4.0610 4.1073 4.1105 4.4934 4.5906 4.7064 4.7206 4.8504 4.8518 4.9316 5.0128 5.0732 5.0820 5.1040 5.1442 5.4171 5.4274 5.4509 5.4662 6.1024 6.1149 6.4688 6.4841 6.9589 6.9704 7.1114 7.1214 7.8715 7.8758 8.7615 8.8459 10.0997 10.2177 10.7162 10.8822 11.1666 11.2344 11.3114 11.3476 k = 0.5425 0.1446-0.2022 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0280 -17.0279 -16.8539 -16.8539 -16.8447 -16.8446 -5.6199 -5.6190 -3.4556 -3.4552 1.7271 1.8947 2.1103 2.3587 2.5680 2.5799 3.3197 3.3383 3.9260 3.9536 3.9718 3.9770 4.0320 4.0629 4.1093 4.1113 4.5113 4.6093 4.7098 4.7193 4.8457 4.8462 4.9283 5.0066 5.0725 5.0794 5.1050 5.1412 5.4297 5.4387 5.4576 5.4722 6.1194 6.1262 6.5349 6.5484 7.0223 7.0331 7.2015 7.2075 7.8980 7.9012 8.7108 8.8016 10.1487 10.2413 10.6818 10.8366 11.1381 11.1518 11.3022 11.3845 k = 0.5387 0.1436-0.1765 ( 7854 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8538 -16.8538 -16.8447 -16.8446 -5.6378 -5.6370 -3.4696 -3.4692 1.7463 1.8950 2.1531 2.3810 2.5614 2.5756 3.2981 3.3163 3.9343 3.9568 3.9741 3.9808 4.0400 4.0657 4.1113 4.1125 4.5288 4.6274 4.7134 4.7180 4.8403 4.8405 4.9254 4.9999 5.0715 5.0768 5.1061 5.1383 5.4412 5.4489 5.4637 5.4774 6.1304 6.1332 6.6086 6.6228 7.0844 7.0937 7.2898 7.2920 7.9247 7.9266 8.6495 8.7439 10.1980 10.2649 10.6420 10.7815 11.0707 11.0740 11.3369 11.4232 k = 0.5348 0.1425-0.1508 ( 7859 PWs) bands (ev): -44.9828 -44.9828 -17.0279 -17.0278 -16.8537 -16.8537 -16.8447 -16.8446 -5.6541 -5.6534 -3.4823 -3.4820 1.7619 1.8907 2.1982 2.4041 2.5558 2.5720 3.2769 3.2947 3.9413 3.9583 3.9755 3.9836 4.0490 4.0697 4.1132 4.1138 4.5457 4.6446 4.7164 4.7173 4.8342 4.8348 4.9231 4.9929 5.0705 5.0743 5.1071 5.1356 5.4516 5.4581 5.4694 5.4820 6.1371 6.1373 6.6882 6.7050 7.1451 7.1517 7.3735 7.3749 7.9519 7.9525 8.5791 8.6740 10.2475 10.2890 10.5990 10.7194 10.9928 11.0017 11.3826 11.4549 k = 0.5309 0.1415-0.1251 ( 7867 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0278 -16.8536 -16.8536 -16.8447 -16.8446 -5.6689 -5.6683 -3.4938 -3.4935 1.7745 1.8841 2.2429 2.4268 2.5514 2.5695 3.2564 3.2737 3.9467 3.9587 3.9762 3.9854 4.0586 4.0746 4.1149 4.1151 4.5619 4.6605 4.7149 4.7214 4.8276 4.8292 4.9212 4.9855 5.0693 5.0720 5.1082 5.1330 5.4608 5.4662 5.4745 5.4858 6.1395 6.1409 6.7719 6.7931 7.2039 7.2071 7.4501 7.4550 7.9790 7.9800 8.5012 8.5938 10.2955 10.3113 10.5566 10.6531 10.9195 10.9304 11.4252 11.4744 k = 0.5271 0.1405-0.0994 ( 7873 PWs) bands (ev): -44.9828 -44.9828 -17.0278 -17.0277 -16.8535 -16.8535 -16.8447 -16.8446 -5.6820 -5.6815 -3.5041 -3.5038 1.7848 1.8766 2.2854 2.4476 2.5490 2.5680 3.2370 3.2536 3.9507 3.9584 3.9767 3.9862 4.0683 4.0801 4.1164 4.1166 4.5774 4.6744 4.7139 4.7257 4.8206 4.8236 4.9199 4.9780 5.0680 5.0698 5.1092 5.1306 5.4688 5.4732 5.4792 5.4891 6.1406 6.1428 6.8581 6.8849 7.2595 7.2605 7.5199 7.5281 8.0068 8.0091 8.4175 8.5055 10.3241 10.3383 10.5234 10.5879 10.8521 10.8635 11.4583 11.4829 k = 0.5232 0.1394-0.0737 ( 7865 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0277 -16.8534 -16.8534 -16.8447 -16.8446 -5.6935 -5.6930 -3.5131 -3.5128 1.7932 1.8688 2.3247 2.4645 2.5494 2.5678 3.2190 3.2346 3.9533 3.9578 3.9771 3.9863 4.0776 4.0859 4.1177 4.1180 4.5920 4.6847 4.7149 4.7302 4.8135 4.8179 4.9193 4.9704 5.0668 5.0679 5.1103 5.1283 5.4758 5.4790 5.4835 5.4917 6.1409 6.1435 6.9452 6.9785 7.3088 7.3150 7.5812 7.5921 8.0358 8.0392 8.3301 8.4115 10.3162 10.3644 10.5116 10.5367 10.7920 10.8027 11.4798 11.4854 k = 0.5193 0.1384-0.0479 ( 7859 PWs) bands (ev): -44.9828 -44.9828 -17.0277 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7032 -5.7028 -3.5207 -3.5205 1.8003 1.8611 2.3599 2.4757 2.5535 2.5688 3.2028 3.2170 3.9546 3.9571 3.9776 3.9859 4.0862 4.0917 4.1187 4.1193 4.6058 4.6889 4.7201 4.7348 4.8065 4.8123 4.9193 4.9630 5.0656 5.0662 5.1113 5.1261 5.4817 5.4837 5.4875 5.4937 6.1409 6.1435 7.0310 7.0710 7.3557 7.3674 7.6323 7.6455 8.0651 8.0689 8.2419 8.3146 10.2864 10.3521 10.5225 10.5230 10.7402 10.7495 11.4857 11.4918 k = 0.5155 0.1374-0.0222 ( 7860 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8533 -16.8533 -16.8447 -16.8446 -5.7112 -5.7109 -3.5270 -3.5268 1.8064 1.8536 2.3903 2.4808 2.5607 2.5710 3.1889 3.2013 3.9552 3.9564 3.9783 3.9852 4.0938 4.0970 4.1196 4.1204 4.6188 4.6877 4.7287 4.7394 4.7998 4.8066 4.9201 4.9557 5.0645 5.0649 5.1124 5.1242 5.4866 5.4874 5.4909 5.4952 6.1407 6.1431 7.1128 7.1579 7.4020 7.4184 7.6726 7.6870 8.0884 8.0900 8.1634 8.2206 10.2475 10.3073 10.5404 10.5455 10.6982 10.7055 11.4860 11.4974 k = 0.5116 0.1363 0.0035 ( 7866 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8446 -5.7174 -5.7172 -3.5319 -3.5317 1.8120 1.8466 2.4157 2.4811 2.5690 2.5742 3.1779 3.1878 3.9553 3.9557 3.9790 3.9843 4.1000 4.1016 4.1202 4.1211 4.6309 4.6834 4.7378 4.7440 4.7938 4.8008 4.9217 4.9488 5.0637 5.0638 5.1136 5.1223 5.4903 5.4904 5.4936 5.4962 6.1405 6.1424 7.1864 7.2320 7.4517 7.4693 7.7018 7.7168 8.0449 8.0785 8.1484 8.1621 10.2105 10.2567 10.5638 10.5680 10.6678 10.6726 11.4871 11.4991 k = 0.5077 0.1353 0.0292 ( 7866 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8447 -16.8446 -5.7219 -5.7217 -3.5354 -3.5353 1.8174 1.8401 2.4359 2.4779 2.5760 2.5777 3.1701 3.1772 3.9551 3.9552 3.9798 3.9834 4.1046 4.1052 4.1206 4.1215 4.6421 4.6774 4.7459 4.7484 4.7889 4.7952 4.9241 4.9424 5.0630 5.0630 5.1148 5.1206 5.4925 5.4932 5.4955 5.4966 6.1404 6.1418 7.2468 7.2841 7.5084 7.5206 7.7203 7.7351 7.9712 8.0033 8.1665 8.1682 10.1820 10.2130 10.5792 10.5825 10.6515 10.6535 11.4890 11.4985 k = 0.5039 0.1343 0.0549 ( 7862 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7245 -5.7244 -3.5375 -3.5374 1.8227 1.8339 2.4516 2.4720 2.5804 2.5807 3.1661 3.1697 3.9549 3.9550 3.9806 3.9824 4.1075 4.1075 4.1209 4.1215 4.6524 4.6701 4.7514 4.7518 4.7862 4.7902 4.9274 4.9366 5.0626 5.0626 5.1161 5.1190 5.4941 5.4948 5.4965 5.4967 6.1405 6.1412 7.2891 7.3098 7.5643 7.5675 7.7292 7.7411 7.9132 7.9304 8.1808 8.1809 10.1664 10.1819 10.5837 10.5858 10.6480 10.6483 11.4915 11.4967 k = 0.5000 0.1333 0.0806 ( 7858 PWs) bands (ev): -44.9828 -44.9828 -17.0276 -17.0276 -16.8532 -16.8532 -16.8446 -16.8446 -5.7254 -5.7254 -3.5381 -3.5381 1.8282 1.8282 2.4634 2.4634 2.5819 2.5819 3.1660 3.1660 3.9549 3.9549 3.9815 3.9815 4.1084 4.1084 4.1213 4.1213 4.6618 4.6618 4.7533 4.7533 4.7867 4.7867 4.9316 4.9316 5.0624 5.0624 5.1175 5.1175 5.4951 5.4951 5.4968 5.4968 6.1408 6.1408 7.3107 7.3107 7.5904 7.5904 7.7354 7.7354 7.8946 7.8946 8.1859 8.1859 10.1661 10.1661 10.5845 10.5845 10.6484 10.6484 11.4942 11.4942 k = 0.5000-0.8714-0.5270 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8446 -16.8446 -4.8903 -4.8903 -2.9231 -2.9231 0.4550 0.4550 2.3348 2.3348 2.7860 2.7860 3.2098 3.2098 3.5769 3.5769 3.7972 3.7972 4.0076 4.0076 4.2710 4.2710 4.4931 4.4931 4.6717 4.6717 4.8177 4.8177 4.8585 4.8585 4.9102 4.9102 5.0560 5.0560 5.1113 5.1113 5.2707 5.2707 5.5094 5.5094 5.6280 5.6280 5.7522 5.7522 5.9701 5.9701 7.2596 7.2596 8.6559 8.6559 9.8170 9.8170 10.7850 10.7850 11.3468 11.3468 12.0728 12.0728 k = 0.5227-0.8619-0.5212 ( 7844 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8903 -4.8903 -2.9230 -2.9230 0.4547 0.4548 2.3336 2.3338 2.7857 2.7863 3.2102 3.2110 3.5773 3.5783 3.7971 3.7974 4.0070 4.0074 4.2717 4.2721 4.4927 4.4935 4.6709 4.6726 4.8171 4.8177 4.8578 4.8595 4.9097 4.9110 5.0559 5.0560 5.1110 5.1117 5.2703 5.2713 5.5082 5.5111 5.6263 5.6305 5.7517 5.7530 5.9696 5.9721 7.2601 7.2605 8.6553 8.6559 9.8037 9.8052 10.7726 10.7739 11.3494 11.3593 12.0540 12.0721 k = 0.5453-0.8524-0.5154 ( 7848 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8446 -16.8445 -4.8904 -4.8904 -2.9230 -2.9230 0.4538 0.4540 2.3303 2.3308 2.7854 2.7864 3.2122 3.2138 3.5795 3.5814 3.7970 3.7977 4.0057 4.0064 4.2742 4.2749 4.4923 4.4937 4.6702 4.6736 4.8159 4.8172 4.8575 4.8609 4.9093 4.9119 5.0558 5.0560 5.1109 5.1122 5.2702 5.2720 5.5074 5.5131 5.6256 5.6339 5.7514 5.7539 5.9707 5.9757 7.2620 7.2627 8.6540 8.6553 9.7663 9.7692 10.7402 10.7412 11.3632 11.3795 12.0450 12.0709 k = 0.5680-0.8429-0.5097 ( 7833 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8905 -4.8905 -2.9228 -2.9228 0.4524 0.4527 2.3251 2.3258 2.7850 2.7865 3.2158 3.2182 3.5835 3.5861 3.7971 3.7980 4.0037 4.0047 4.2784 4.2795 4.4917 4.4939 4.6696 4.6746 4.8142 4.8161 4.8575 4.8627 4.9092 4.9129 5.0558 5.0561 5.1108 5.1127 5.2702 5.2729 5.5072 5.5154 5.6260 5.6381 5.7514 5.7551 5.9735 5.9808 7.2652 7.2663 8.6520 8.6540 9.7080 9.7123 10.6925 10.6933 11.3785 11.3958 12.0700 12.0975 k = 0.5906-0.8333-0.5039 ( 7824 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8907 -4.8907 -2.9226 -2.9226 0.4506 0.4510 2.3180 2.3191 2.7846 2.7866 3.2208 3.2237 3.5892 3.5922 3.7972 3.7984 4.0011 4.0025 4.2841 4.2855 4.4911 4.4939 4.6691 4.6755 4.8120 4.8146 4.8577 4.8647 4.9094 4.9140 5.0557 5.0561 5.1109 5.1134 5.2705 5.2738 5.5076 5.5178 5.6273 5.6428 5.7517 5.7566 5.9778 5.9875 7.2696 7.2710 8.6494 8.6520 9.6333 9.6389 10.6326 10.6359 11.3888 11.4029 12.1339 12.1601 k = 0.6133-0.8238-0.4982 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8910 -4.8909 -2.9224 -2.9224 0.4483 0.4488 2.3094 2.3109 2.7842 2.7866 3.2270 3.2303 3.5964 3.5997 3.7974 3.7988 3.9980 3.9999 4.2912 4.2927 4.4904 4.4939 4.6688 4.6764 4.8095 4.8128 4.8581 4.8669 4.9099 4.9151 5.0556 5.0562 5.1111 5.1140 5.2708 5.2749 5.5086 5.5204 5.6296 5.6481 5.7523 5.7584 5.9838 5.9956 7.2752 7.2769 8.6461 8.6494 9.5468 9.5535 10.5646 10.5705 11.3948 11.4039 12.2243 12.2525 k = 0.6359-0.8143-0.4924 ( 7819 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8913 -4.8912 -2.9222 -2.9221 0.4457 0.4463 2.2995 2.3014 2.7838 2.7865 3.2341 3.2377 3.6049 3.6082 3.7976 3.7993 3.9945 3.9970 4.2994 4.3009 4.4896 4.4938 4.6686 4.6773 4.8067 4.8108 4.8586 4.8693 4.9107 4.9161 5.0555 5.0562 5.1115 5.1147 5.2713 5.2760 5.5102 5.5230 5.6329 5.6539 5.7533 5.7604 5.9915 6.0052 7.2819 7.2839 8.6421 8.6461 9.4526 9.4603 10.4907 10.4988 11.4004 11.4046 12.2646 12.2773 k = 0.6586-0.8048-0.4867 ( 7820 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8917 -4.8916 -2.9219 -2.9219 0.4428 0.4435 2.2886 2.2910 2.7834 2.7865 3.2419 3.2456 3.6146 3.6175 3.7980 3.7999 3.9909 3.9939 4.3084 4.3098 4.4888 4.4936 4.6685 4.6780 4.8036 4.8086 4.8593 4.8719 4.9118 4.9171 5.0554 5.0562 5.1119 5.1154 5.2719 5.2771 5.5123 5.5257 5.6368 5.6599 5.7548 5.7629 6.0009 6.0162 7.2895 7.2918 8.6374 8.6421 9.3545 9.3632 10.4128 10.4224 11.4090 11.4092 12.2264 12.2298 k = 0.6812-0.7953-0.4809 ( 7825 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8922 -4.8921 -2.9216 -2.9216 0.4397 0.4406 2.2769 2.2800 2.7831 2.7863 3.2502 3.2538 3.6251 3.6274 3.7984 3.8005 3.9871 3.9910 4.3180 4.3192 4.4879 4.4933 4.6685 4.6785 4.8004 4.8064 4.8601 4.8746 4.9132 4.9180 5.0553 5.0563 5.1125 5.1160 5.2725 5.2782 5.5150 5.5283 5.6414 5.6660 5.7569 5.7658 6.0118 6.0286 7.2978 7.3004 8.6318 8.6374 9.2555 9.2650 10.3325 10.3433 11.4198 11.4226 12.1771 12.1783 k = 0.7039-0.7858-0.4752 ( 7831 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8927 -4.8926 -2.9213 -2.9213 0.4365 0.4376 2.2648 2.2686 2.7828 2.7862 3.2587 3.2620 3.6362 3.6374 3.7990 3.8011 3.9834 3.9882 4.3279 4.3288 4.4870 4.4929 4.6687 4.6788 4.7971 4.8042 4.8610 4.8773 4.9148 4.9188 5.0552 5.0563 5.1131 5.1166 5.2731 5.2792 5.5180 5.5310 5.6464 5.6722 5.7595 5.7692 6.0243 6.0424 7.3068 7.3096 8.6253 8.6319 9.1578 9.1685 10.2518 10.2632 11.4368 11.4417 12.1257 12.1260 k = 0.7265-0.7762-0.4694 ( 7835 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8933 -4.8931 -2.9210 -2.9210 0.4334 0.4346 2.2526 2.2571 2.7825 2.7861 3.2672 3.2701 3.6474 3.6476 3.7996 3.8018 3.9799 3.9857 4.3379 4.3384 4.4860 4.4925 4.6689 4.6789 4.7939 4.8021 4.8620 4.8801 4.9166 4.9196 5.0551 5.0564 5.1138 5.1172 5.2736 5.2801 5.5213 5.5335 5.6514 5.6782 5.7628 5.7731 6.0383 6.0572 7.3163 7.3192 8.6177 8.6256 9.0638 9.0757 10.1721 10.1838 11.4598 11.4663 12.0746 12.0746 k = 0.7492-0.7667-0.4636 ( 7843 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8579 -16.8445 -16.8445 -4.8939 -4.8938 -2.9207 -2.9207 0.4304 0.4318 2.2406 2.2459 2.7822 2.7859 3.2757 3.2779 3.6569 3.6589 3.8003 3.8025 3.9765 3.9836 4.3476 4.3478 4.4850 4.4919 4.6692 4.6788 4.7906 4.8001 4.8632 4.8828 4.9185 4.9202 5.0551 5.0565 5.1146 5.1176 5.2741 5.2808 5.5247 5.5359 5.6564 5.6840 5.7667 5.7776 6.0535 6.0731 7.3259 7.3290 8.6088 8.6182 8.9751 8.9887 10.0948 10.1066 11.4882 11.4957 12.0249 12.0251 k = 0.7719-0.7572-0.4579 ( 7843 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8580 -16.8580 -16.8445 -16.8445 -4.8947 -4.8945 -2.9205 -2.9204 0.4276 0.4292 2.2288 2.2351 2.7819 2.7858 3.2838 3.2852 3.6658 3.6697 3.8012 3.8031 3.9735 3.9820 4.3563 4.3573 4.4839 4.4912 4.6694 4.6784 4.7875 4.7982 4.8644 4.8855 4.9206 4.9209 5.0550 5.0566 5.1155 5.1180 5.2745 5.2814 5.5281 5.5382 5.6610 5.6894 5.7712 5.7825 6.0698 6.0898 7.3356 7.3388 8.5980 8.6096 8.8935 8.9094 10.0213 10.0330 11.5211 11.5293 11.9779 11.9782 k = 0.7945-0.7477-0.4521 ( 7834 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8955 -4.8952 -2.9203 -2.9202 0.4251 0.4269 2.2177 2.2250 2.7817 2.7856 3.2916 3.2921 3.6738 3.6798 3.8021 3.8037 3.9708 3.9809 4.3643 4.3663 4.4828 4.4905 4.6697 4.6777 4.7845 4.7966 4.8658 4.8881 4.9215 4.9229 5.0550 5.0568 5.1164 5.1183 5.2748 5.2819 5.5314 5.5403 5.6651 5.6944 5.7761 5.7877 6.0868 6.1070 7.3452 7.3485 8.5847 8.5992 8.8209 8.8400 9.9524 9.9641 11.5577 11.5663 11.9343 11.9345 k = 0.8172-0.7382-0.4464 ( 7830 PWs) bands (ev): -44.9827 -44.9827 -17.0302 -17.0302 -16.8579 -16.8579 -16.8445 -16.8445 -4.8963 -4.8961 -2.9201 -2.9201 0.4230 0.4250 2.2073 2.2157 2.7815 2.7854 3.2984 3.2990 3.6805 3.6889 3.8031 3.8041 3.9686 3.9804 4.3714 4.3745 4.4817 4.4897 4.6700 4.6768 4.7818 4.7951 4.8672 4.8906 4.9222 4.9252 5.0551 5.0569 5.1173 5.1185 5.2750 5.2822 5.5344 5.5423 5.6686 5.6988 5.7811 5.7930 6.1043 6.1245 7.3543 7.3577 8.5682 8.5862 8.7594 8.7823 9.8891 9.9007 11.5968 11.6056 11.8947 11.8948 Writing output data file NaCu3Te2.save init_run : 3.69s CPU 12.22s WALL ( 1 calls) electrons : 1381.30s CPU 1393.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.72s CPU 1.67s WALL ( 1 calls) Called by electrons: c_bands : 1381.28s CPU 1392.96s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.82s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.68s WALL ( 1 calls) newd : 0.52s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.33s WALL ( 283 calls) cegterg : 1251.86s CPU 1261.06s WALL ( 557 calls) Called by sum_band: Called by *egterg: h_psi : 904.28s CPU 911.79s WALL ( 8306 calls) s_psi : 31.64s CPU 31.81s WALL ( 8306 calls) g_psi : 1.06s CPU 1.05s WALL ( 7466 calls) cdiaghg : 250.87s CPU 249.05s WALL ( 7749 calls) cegterg:over : 72.55s CPU 70.67s WALL ( 7466 calls) cegterg:upda : 22.39s CPU 24.66s WALL ( 7466 calls) cegterg:last : 18.42s CPU 18.94s WALL ( 1406 calls) Called by h_psi: h_psi:vloc : 832.15s CPU 838.34s WALL ( 8306 calls) h_psi:vnl : 71.55s CPU 72.34s WALL ( 8306 calls) add_vuspsi : 25.13s CPU 27.97s WALL ( 8306 calls) General routines calbec : 46.38s CPU 44.29s WALL ( 8306 calls) fft : 0.66s CPU 1.33s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 783.71s CPU 785.81s WALL ( 1098196 calls) interpolate : 0.26s CPU 0.34s WALL ( 4 calls) davcio : 0.03s CPU 2.17s WALL ( 566 calls) Parallel routines fft_scatter : 351.83s CPU 362.59s WALL ( 1098219 calls) PWSCF : 24m21.58s CPU 27m12.81s WALL This run was terminated on: 21: 6:51 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=