Program PWSCF v.5.1.1 starts on 19Jul2015 at 16:58:49 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: ./BiI3.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 138 55 15 7196 1825 265 Max 139 56 16 7199 1851 269 Sum 6657 2685 729 345487 88201 12767 bravais-lattice index = 14 lattice parameter (alat) = 14.9358 a.u. unit-cell volume = 2094.6793 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.935819 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.570303 celldm(5)= 0.570303 celldm(6)= 0.570303 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.570303 0.821434 0.000000 ) a(3) = ( 0.570303 0.298329 0.765346 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.694278 -0.474531 ) b(2) = ( 0.000000 1.217383 -0.474531 ) b(3) = ( 0.000000 0.000000 1.306599 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Bi 15.00 208.98040 Bi( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 194 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0192308 -0.0133515 -0.0091256), wk = 0.0051546 k( 3) = ( 0.0384615 -0.0267030 -0.0182512), wk = 0.0051546 k( 4) = ( 0.0576923 -0.0400545 -0.0273768), wk = 0.0051546 k( 5) = ( 0.0769231 -0.0534060 -0.0365024), wk = 0.0051546 k( 6) = ( 0.0961538 -0.0667575 -0.0456280), wk = 0.0051546 k( 7) = ( 0.1153846 -0.0801090 -0.0547536), wk = 0.0051546 k( 8) = ( 0.1346154 -0.0934604 -0.0638792), wk = 0.0051546 k( 9) = ( 0.1538461 -0.1068119 -0.0730048), wk = 0.0051546 k( 10) = ( 0.1730769 -0.1201634 -0.0821304), wk = 0.0051546 k( 11) = ( 0.1923077 -0.1335149 -0.0912560), wk = 0.0051546 k( 12) = ( 0.2115385 -0.1468664 -0.1003816), wk = 0.0051546 k( 13) = ( 0.2307692 -0.1602179 -0.1095072), wk = 0.0051546 k( 14) = ( 0.2500000 -0.1735694 -0.1186328), wk = 0.0051546 k( 15) = ( 0.2692308 -0.1869209 -0.1277584), wk = 0.0051546 k( 16) = ( 0.2884615 -0.2002724 -0.1368840), wk = 0.0051546 k( 17) = ( 0.3076923 -0.2136239 -0.1460096), wk = 0.0051546 k( 18) = ( 0.3269231 -0.2269754 -0.1551352), wk = 0.0051546 k( 19) = ( 0.3461538 -0.2403269 -0.1642608), wk = 0.0051546 k( 20) = ( 0.3653846 -0.2536784 -0.1733864), wk = 0.0051546 k( 21) = ( 0.3846154 -0.2670298 -0.1825120), wk = 0.0051546 k( 22) = ( 0.4038462 -0.2803813 -0.1916376), wk = 0.0051546 k( 23) = ( 0.4230769 -0.2937328 -0.2007632), wk = 0.0051546 k( 24) = ( 0.4423077 -0.3070843 -0.2098888), wk = 0.0051546 k( 25) = ( 0.4615385 -0.3204358 -0.2190144), wk = 0.0051546 k( 26) = ( 0.4807692 -0.3337873 -0.2281400), wk = 0.0051546 k( 27) = ( 0.5000000 -0.3471388 -0.2372656), wk = 0.0051546 k( 28) = ( 0.5000000 -0.3471388 -0.2372656), wk = 0.0051546 k( 29) = ( 0.5000000 -0.3335981 -0.2570767), wk = 0.0051546 k( 30) = ( 0.5000000 -0.3200574 -0.2768879), wk = 0.0051546 k( 31) = ( 0.5000000 -0.3065167 -0.2966990), wk = 0.0051546 k( 32) = ( 0.5000000 -0.2929760 -0.3165101), wk = 0.0051546 k( 33) = ( 0.5000000 -0.2794353 -0.3363213), wk = 0.0051546 k( 34) = ( 0.5000000 -0.2658946 -0.3561324), wk = 0.0051546 k( 35) = ( 0.5000000 -0.2523539 -0.3759436), wk = 0.0051546 k( 36) = ( 0.5000000 -0.2388132 -0.3957547), wk = 0.0051546 k( 37) = ( 0.5000000 -0.2252725 -0.4155658), wk = 0.0051546 k( 38) = ( 0.5000000 -0.2117318 -0.4353770), wk = 0.0051546 k( 39) = ( 0.5000000 -0.1981911 -0.4551881), wk = 0.0051546 k( 40) = ( 0.5000000 -0.1846504 -0.4749993), wk = 0.0051546 k( 41) = ( 0.5000000 -0.1711097 -0.4948104), wk = 0.0051546 k( 42) = ( 0.5000000 -0.1575690 -0.5146216), wk = 0.0051546 k( 43) = ( 0.5000000 -0.1440283 -0.5344327), wk = 0.0051546 k( 44) = ( 0.5000000 -0.1304876 -0.5542438), wk = 0.0051546 k( 45) = ( 0.5000000 -0.1169469 -0.5740550), wk = 0.0051546 k( 46) = ( 0.5000000 -0.1034062 -0.5938661), wk = 0.0051546 k( 47) = ( 0.5000000 -0.0898655 -0.6136773), wk = 0.0051546 k( 48) = ( 0.5000000 -0.0763248 -0.6334884), wk = 0.0051546 k( 49) = ( 0.5000000 -0.0627841 -0.6532995), wk = 0.0051546 k( 50) = ( 0.7664214 0.0765823 -0.2957627), wk = 0.0051546 k( 51) = ( 0.7548378 0.0846245 -0.2751309), wk = 0.0051546 k( 52) = ( 0.7432543 0.0926667 -0.2544991), wk = 0.0051546 k( 53) = ( 0.7316708 0.1007089 -0.2338674), wk = 0.0051546 k( 54) = ( 0.7200872 0.1087511 -0.2132356), wk = 0.0051546 k( 55) = ( 0.7085037 0.1167933 -0.1926038), wk = 0.0051546 k( 56) = ( 0.6969201 0.1248355 -0.1719720), wk = 0.0051546 k( 57) = ( 0.6853366 0.1328777 -0.1513402), wk = 0.0051546 k( 58) = ( 0.6737531 0.1409199 -0.1307084), wk = 0.0051546 k( 59) = ( 0.6621695 0.1489620 -0.1100766), wk = 0.0051546 k( 60) = ( 0.6505860 0.1570042 -0.0894448), wk = 0.0051546 k( 61) = ( 0.6390024 0.1650464 -0.0688131), wk = 0.0051546 k( 62) = ( 0.6274189 0.1730886 -0.0481813), wk = 0.0051546 k( 63) = ( 0.6158354 0.1811308 -0.0275495), wk = 0.0051546 k( 64) = ( 0.6042518 0.1891730 -0.0069177), wk = 0.0051546 k( 65) = ( 0.5926683 0.1972152 0.0137141), wk = 0.0051546 k( 66) = ( 0.5810848 0.2052574 0.0343459), wk = 0.0051546 k( 67) = ( 0.5695012 0.2132996 0.0549777), wk = 0.0051546 k( 68) = ( 0.5579177 0.2213418 0.0756095), wk = 0.0051546 k( 69) = ( 0.5463341 0.2293839 0.0962413), wk = 0.0051546 k( 70) = ( 0.5347506 0.2374261 0.1168731), wk = 0.0051546 k( 71) = ( 0.5231671 0.2454683 0.1375048), wk = 0.0051546 k( 72) = ( 0.5115835 0.2535105 0.1581366), wk = 0.0051546 k( 73) = ( 0.5000000 0.2615527 0.1787684), wk = 0.0051546 k( 74) = ( 0.5000000 0.2615527 0.1787684), wk = 0.0051546 k( 75) = ( 0.4791667 0.2506547 0.1713197), wk = 0.0051546 k( 76) = ( 0.4583333 0.2397566 0.1638710), wk = 0.0051546 k( 77) = ( 0.4375000 0.2288586 0.1564224), wk = 0.0051546 k( 78) = ( 0.4166667 0.2179606 0.1489737), wk = 0.0051546 k( 79) = ( 0.3958333 0.2070626 0.1415250), wk = 0.0051546 k( 80) = ( 0.3750000 0.1961645 0.1340763), wk = 0.0051546 k( 81) = ( 0.3541667 0.1852665 0.1266276), wk = 0.0051546 k( 82) = ( 0.3333333 0.1743685 0.1191789), wk = 0.0051546 k( 83) = ( 0.3125000 0.1634704 0.1117303), wk = 0.0051546 k( 84) = ( 0.2916667 0.1525724 0.1042816), wk = 0.0051546 k( 85) = ( 0.2708333 0.1416744 0.0968329), wk = 0.0051546 k( 86) = ( 0.2500000 0.1307764 0.0893842), wk = 0.0051546 k( 87) = ( 0.2291667 0.1198783 0.0819355), wk = 0.0051546 k( 88) = ( 0.2083333 0.1089803 0.0744868), wk = 0.0051546 k( 89) = ( 0.1875000 0.0980823 0.0670382), wk = 0.0051546 k( 90) = ( 0.1666667 0.0871842 0.0595895), wk = 0.0051546 k( 91) = ( 0.1458333 0.0762862 0.0521408), wk = 0.0051546 k( 92) = ( 0.1250000 0.0653882 0.0446921), wk = 0.0051546 k( 93) = ( 0.1041667 0.0544901 0.0372434), wk = 0.0051546 k( 94) = ( 0.0833333 0.0435921 0.0297947), wk = 0.0051546 k( 95) = ( 0.0625000 0.0326941 0.0223461), wk = 0.0051546 k( 96) = ( 0.0416667 0.0217961 0.0148974), wk = 0.0051546 k( 97) = ( 0.0208333 0.0108980 0.0074487), wk = 0.0051546 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 100) = ( 0.0114622 -0.0079579 -0.0204156), wk = 0.0051546 k( 101) = ( 0.0229243 -0.0159158 -0.0408312), wk = 0.0051546 k( 102) = ( 0.0343865 -0.0238738 -0.0612468), wk = 0.0051546 k( 103) = ( 0.0458487 -0.0318317 -0.0816625), wk = 0.0051546 k( 104) = ( 0.0573108 -0.0397896 -0.1020781), wk = 0.0051546 k( 105) = ( 0.0687730 -0.0477476 -0.1224937), wk = 0.0051546 k( 106) = ( 0.0802352 -0.0557055 -0.1429093), wk = 0.0051546 k( 107) = ( 0.0916973 -0.0636634 -0.1633249), wk = 0.0051546 k( 108) = ( 0.1031595 -0.0716213 -0.1837405), wk = 0.0051546 k( 109) = ( 0.1146217 -0.0795792 -0.2041561), wk = 0.0051546 k( 110) = ( 0.1260838 -0.0875372 -0.2245717), wk = 0.0051546 k( 111) = ( 0.1375460 -0.0954951 -0.2449873), wk = 0.0051546 k( 112) = ( 0.1490082 -0.1034530 -0.2654029), wk = 0.0051546 k( 113) = ( 0.1604703 -0.1114110 -0.2858186), wk = 0.0051546 k( 114) = ( 0.1719325 -0.1193689 -0.3062342), wk = 0.0051546 k( 115) = ( 0.1833947 -0.1273268 -0.3266498), wk = 0.0051546 k( 116) = ( 0.1948568 -0.1352847 -0.3470654), wk = 0.0051546 k( 117) = ( 0.2063190 -0.1432426 -0.3674810), wk = 0.0051546 k( 118) = ( 0.2177812 -0.1512006 -0.3878966), wk = 0.0051546 k( 119) = ( 0.2292433 -0.1591585 -0.4083122), wk = 0.0051546 k( 120) = ( 0.2407055 -0.1671164 -0.4287278), wk = 0.0051546 k( 121) = ( 0.2521677 -0.1750744 -0.4491434), wk = 0.0051546 k( 122) = ( 0.2636298 -0.1830323 -0.4695590), wk = 0.0051546 k( 123) = ( 0.2750920 -0.1909902 -0.4899747), wk = 0.0051546 k( 124) = ( 0.2865542 -0.1989481 -0.5103903), wk = 0.0051546 k( 125) = ( 0.2980163 -0.2069061 -0.5308059), wk = 0.0051546 k( 126) = ( 0.3094785 -0.2148640 -0.5512215), wk = 0.0051546 k( 127) = ( 0.3209407 -0.2228219 -0.5716371), wk = 0.0051546 k( 128) = ( 0.3324028 -0.2307798 -0.5920527), wk = 0.0051546 k( 129) = ( 0.3438650 -0.2387378 -0.6124683), wk = 0.0051546 k( 130) = ( 0.3553271 -0.2466957 -0.6328839), wk = 0.0051546 k( 131) = ( 0.3667893 -0.2546536 -0.6532995), wk = 0.0051546 k( 132) = ( 0.6332107 0.0068991 -0.4745311), wk = 0.0051546 k( 133) = ( 0.6221098 0.0281202 -0.4745311), wk = 0.0051546 k( 134) = ( 0.6110089 0.0493414 -0.4745311), wk = 0.0051546 k( 135) = ( 0.5999080 0.0705625 -0.4745311), wk = 0.0051546 k( 136) = ( 0.5888071 0.0917836 -0.4745311), wk = 0.0051546 k( 137) = ( 0.5777062 0.1130048 -0.4745311), wk = 0.0051546 k( 138) = ( 0.5666053 0.1342259 -0.4745311), wk = 0.0051546 k( 139) = ( 0.5555045 0.1554470 -0.4745311), wk = 0.0051546 k( 140) = ( 0.5444036 0.1766682 -0.4745311), wk = 0.0051546 k( 141) = ( 0.5333027 0.1978893 -0.4745311), wk = 0.0051546 k( 142) = ( 0.5222018 0.2191104 -0.4745311), wk = 0.0051546 k( 143) = ( 0.5111009 0.2403316 -0.4745311), wk = 0.0051546 k( 144) = ( 0.5000000 0.2615527 -0.4745311), wk = 0.0051546 k( 145) = ( 0.5000000 0.2615527 -0.4745311), wk = 0.0051546 k( 146) = ( 0.5133211 0.2685210 -0.4566543), wk = 0.0051546 k( 147) = ( 0.5266421 0.2754894 -0.4387774), wk = 0.0051546 k( 148) = ( 0.5399632 0.2824577 -0.4209006), wk = 0.0051546 k( 149) = ( 0.5532843 0.2894260 -0.4030238), wk = 0.0051546 k( 150) = ( 0.5666053 0.2963943 -0.3851469), wk = 0.0051546 k( 151) = ( 0.5799264 0.3033626 -0.3672701), wk = 0.0051546 k( 152) = ( 0.5932475 0.3103310 -0.3493932), wk = 0.0051546 k( 153) = ( 0.6065685 0.3172993 -0.3315164), wk = 0.0051546 k( 154) = ( 0.6198896 0.3242676 -0.3136396), wk = 0.0051546 k( 155) = ( 0.6332107 0.3312359 -0.2957627), wk = 0.0051546 k( 156) = ( 0.6332107 0.3312359 -0.2957627), wk = 0.0051546 k( 157) = ( 0.6265501 0.3277518 -0.2720362), wk = 0.0051546 k( 158) = ( 0.6198896 0.3242676 -0.2483096), wk = 0.0051546 k( 159) = ( 0.6132291 0.3207835 -0.2245830), wk = 0.0051546 k( 160) = ( 0.6065685 0.3172993 -0.2008565), wk = 0.0051546 k( 161) = ( 0.5999080 0.3138151 -0.1771299), wk = 0.0051546 k( 162) = ( 0.5932475 0.3103310 -0.1534034), wk = 0.0051546 k( 163) = ( 0.5865869 0.3068468 -0.1296768), wk = 0.0051546 k( 164) = ( 0.5799264 0.3033626 -0.1059503), wk = 0.0051546 k( 165) = ( 0.5732659 0.2998785 -0.0822237), wk = 0.0051546 k( 166) = ( 0.5666053 0.2963943 -0.0584972), wk = 0.0051546 k( 167) = ( 0.5599448 0.2929102 -0.0347706), wk = 0.0051546 k( 168) = ( 0.5532843 0.2894260 -0.0110440), wk = 0.0051546 k( 169) = ( 0.5466237 0.2859418 0.0126825), wk = 0.0051546 k( 170) = ( 0.5399632 0.2824577 0.0364091), wk = 0.0051546 k( 171) = ( 0.5333027 0.2789735 0.0601356), wk = 0.0051546 k( 172) = ( 0.5266421 0.2754894 0.0838622), wk = 0.0051546 k( 173) = ( 0.5199816 0.2720052 0.1075887), wk = 0.0051546 k( 174) = ( 0.5133211 0.2685210 0.1313153), wk = 0.0051546 k( 175) = ( 0.5066605 0.2650369 0.1550419), wk = 0.0051546 k( 176) = ( 0.5000000 0.2615527 0.1787684), wk = 0.0051546 k( 177) = ( 0.5000000 -0.3471388 -0.2372656), wk = 0.0051546 k( 178) = ( 0.5156718 -0.3317533 -0.2267498), wk = 0.0051546 k( 179) = ( 0.5313437 -0.3163679 -0.2162340), wk = 0.0051546 k( 180) = ( 0.5470155 -0.3009824 -0.2057182), wk = 0.0051546 k( 181) = ( 0.5626874 -0.2855970 -0.1952024), wk = 0.0051546 k( 182) = ( 0.5783592 -0.2702115 -0.1846866), wk = 0.0051546 k( 183) = ( 0.5940311 -0.2548261 -0.1741708), wk = 0.0051546 k( 184) = ( 0.6097029 -0.2394406 -0.1636550), wk = 0.0051546 k( 185) = ( 0.6253748 -0.2240552 -0.1531393), wk = 0.0051546 k( 186) = ( 0.6410466 -0.2086697 -0.1426235), wk = 0.0051546 k( 187) = ( 0.6567184 -0.1932843 -0.1321077), wk = 0.0051546 k( 188) = ( 0.6723903 -0.1778988 -0.1215919), wk = 0.0051546 k( 189) = ( 0.6880621 -0.1625133 -0.1110761), wk = 0.0051546 k( 190) = ( 0.7037340 -0.1471279 -0.1005603), wk = 0.0051546 k( 191) = ( 0.7194058 -0.1317424 -0.0900445), wk = 0.0051546 k( 192) = ( 0.7350777 -0.1163570 -0.0795287), wk = 0.0051546 k( 193) = ( 0.7507495 -0.1009715 -0.0690129), wk = 0.0051546 k( 194) = ( 0.7664214 -0.0855861 -0.0584972), wk = 0.0051546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0051546 k( 3) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0051546 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0051546 k( 5) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0051546 k( 6) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0051546 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0051546 k( 8) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0051546 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0051546 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0051546 k( 11) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0051546 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0051546 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0051546 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0051546 k( 15) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0051546 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0051546 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0051546 k( 18) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0051546 k( 19) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0051546 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0051546 k( 21) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0051546 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0051546 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0051546 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0051546 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0051546 k( 26) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0051546 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051546 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051546 k( 29) = ( 0.5000000 0.0111228 -0.0111228), wk = 0.0051546 k( 30) = ( 0.5000000 0.0222456 -0.0222456), wk = 0.0051546 k( 31) = ( 0.5000000 0.0333684 -0.0333684), wk = 0.0051546 k( 32) = ( 0.5000000 0.0444912 -0.0444912), wk = 0.0051546 k( 33) = ( 0.5000000 0.0556140 -0.0556140), wk = 0.0051546 k( 34) = ( 0.5000000 0.0667368 -0.0667368), wk = 0.0051546 k( 35) = ( 0.5000000 0.0778596 -0.0778595), wk = 0.0051546 k( 36) = ( 0.5000000 0.0889823 -0.0889823), wk = 0.0051546 k( 37) = ( 0.5000000 0.1001051 -0.1001051), wk = 0.0051546 k( 38) = ( 0.5000000 0.1112279 -0.1112279), wk = 0.0051546 k( 39) = ( 0.5000000 0.1223507 -0.1223507), wk = 0.0051546 k( 40) = ( 0.5000000 0.1334735 -0.1334735), wk = 0.0051546 k( 41) = ( 0.5000000 0.1445963 -0.1445963), wk = 0.0051546 k( 42) = ( 0.5000000 0.1557191 -0.1557191), wk = 0.0051546 k( 43) = ( 0.5000000 0.1668419 -0.1668419), wk = 0.0051546 k( 44) = ( 0.5000000 0.1779647 -0.1779647), wk = 0.0051546 k( 45) = ( 0.5000000 0.1890875 -0.1890875), wk = 0.0051546 k( 46) = ( 0.5000000 0.2002103 -0.2002103), wk = 0.0051546 k( 47) = ( 0.5000000 0.2113331 -0.2113331), wk = 0.0051546 k( 48) = ( 0.5000000 0.2224559 -0.2224559), wk = 0.0051546 k( 49) = ( 0.5000000 0.2335786 -0.2335786), wk = 0.0051546 k( 50) = ( 0.7664214 0.5000000 0.2335786), wk = 0.0051546 k( 51) = ( 0.7548378 0.5000000 0.2451622), wk = 0.0051546 k( 52) = ( 0.7432543 0.5000000 0.2567457), wk = 0.0051546 k( 53) = ( 0.7316708 0.5000000 0.2683292), wk = 0.0051546 k( 54) = ( 0.7200872 0.5000000 0.2799128), wk = 0.0051546 k( 55) = ( 0.7085037 0.5000000 0.2914963), wk = 0.0051546 k( 56) = ( 0.6969201 0.5000000 0.3030799), wk = 0.0051546 k( 57) = ( 0.6853366 0.5000000 0.3146634), wk = 0.0051546 k( 58) = ( 0.6737531 0.5000000 0.3262469), wk = 0.0051546 k( 59) = ( 0.6621695 0.5000000 0.3378305), wk = 0.0051546 k( 60) = ( 0.6505860 0.5000000 0.3494140), wk = 0.0051546 k( 61) = ( 0.6390024 0.5000000 0.3609976), wk = 0.0051546 k( 62) = ( 0.6274189 0.5000000 0.3725811), wk = 0.0051546 k( 63) = ( 0.6158354 0.5000000 0.3841646), wk = 0.0051546 k( 64) = ( 0.6042518 0.5000000 0.3957482), wk = 0.0051546 k( 65) = ( 0.5926683 0.5000000 0.4073317), wk = 0.0051546 k( 66) = ( 0.5810848 0.5000000 0.4189152), wk = 0.0051546 k( 67) = ( 0.5695012 0.5000000 0.4304988), wk = 0.0051546 k( 68) = ( 0.5579177 0.5000000 0.4420823), wk = 0.0051546 k( 69) = ( 0.5463341 0.5000000 0.4536659), wk = 0.0051546 k( 70) = ( 0.5347506 0.5000000 0.4652494), wk = 0.0051546 k( 71) = ( 0.5231671 0.5000000 0.4768329), wk = 0.0051546 k( 72) = ( 0.5115835 0.5000000 0.4884165), wk = 0.0051546 k( 73) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 74) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 75) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0051546 k( 76) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0051546 k( 77) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0051546 k( 78) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0051546 k( 79) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0051546 k( 80) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0051546 k( 81) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0051546 k( 82) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0051546 k( 83) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0051546 k( 84) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0051546 k( 85) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0051546 k( 86) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0051546 k( 87) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0051546 k( 88) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0051546 k( 89) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0051546 k( 90) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0051546 k( 91) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0051546 k( 92) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0051546 k( 93) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0051546 k( 94) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0051546 k( 95) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0051546 k( 96) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0051546 k( 97) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0051546 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 100) = ( 0.0114622 0.0000000 -0.0114622), wk = 0.0051546 k( 101) = ( 0.0229243 0.0000000 -0.0229243), wk = 0.0051546 k( 102) = ( 0.0343865 0.0000000 -0.0343865), wk = 0.0051546 k( 103) = ( 0.0458487 0.0000000 -0.0458487), wk = 0.0051546 k( 104) = ( 0.0573108 0.0000000 -0.0573108), wk = 0.0051546 k( 105) = ( 0.0687730 0.0000000 -0.0687730), wk = 0.0051546 k( 106) = ( 0.0802352 0.0000000 -0.0802352), wk = 0.0051546 k( 107) = ( 0.0916973 0.0000000 -0.0916973), wk = 0.0051546 k( 108) = ( 0.1031595 0.0000000 -0.1031595), wk = 0.0051546 k( 109) = ( 0.1146217 0.0000000 -0.1146217), wk = 0.0051546 k( 110) = ( 0.1260838 0.0000000 -0.1260838), wk = 0.0051546 k( 111) = ( 0.1375460 0.0000000 -0.1375460), wk = 0.0051546 k( 112) = ( 0.1490082 0.0000000 -0.1490082), wk = 0.0051546 k( 113) = ( 0.1604703 0.0000000 -0.1604703), wk = 0.0051546 k( 114) = ( 0.1719325 0.0000000 -0.1719325), wk = 0.0051546 k( 115) = ( 0.1833947 0.0000000 -0.1833947), wk = 0.0051546 k( 116) = ( 0.1948568 0.0000000 -0.1948568), wk = 0.0051546 k( 117) = ( 0.2063190 0.0000000 -0.2063190), wk = 0.0051546 k( 118) = ( 0.2177812 0.0000000 -0.2177812), wk = 0.0051546 k( 119) = ( 0.2292433 0.0000000 -0.2292433), wk = 0.0051546 k( 120) = ( 0.2407055 0.0000000 -0.2407055), wk = 0.0051546 k( 121) = ( 0.2521677 0.0000000 -0.2521677), wk = 0.0051546 k( 122) = ( 0.2636298 0.0000000 -0.2636298), wk = 0.0051546 k( 123) = ( 0.2750920 0.0000000 -0.2750920), wk = 0.0051546 k( 124) = ( 0.2865542 0.0000000 -0.2865542), wk = 0.0051546 k( 125) = ( 0.2980163 0.0000000 -0.2980163), wk = 0.0051546 k( 126) = ( 0.3094785 0.0000000 -0.3094785), wk = 0.0051546 k( 127) = ( 0.3209407 0.0000000 -0.3209407), wk = 0.0051546 k( 128) = ( 0.3324028 0.0000000 -0.3324028), wk = 0.0051546 k( 129) = ( 0.3438650 0.0000000 -0.3438650), wk = 0.0051546 k( 130) = ( 0.3553271 0.0000000 -0.3553271), wk = 0.0051546 k( 131) = ( 0.3667893 0.0000000 -0.3667893), wk = 0.0051546 k( 132) = ( 0.6332107 0.3667893 0.0000000), wk = 0.0051546 k( 133) = ( 0.6221098 0.3778902 0.0000000), wk = 0.0051546 k( 134) = ( 0.6110089 0.3889911 -0.0000000), wk = 0.0051546 k( 135) = ( 0.5999080 0.4000920 0.0000000), wk = 0.0051546 k( 136) = ( 0.5888071 0.4111929 0.0000000), wk = 0.0051546 k( 137) = ( 0.5777062 0.4222938 0.0000000), wk = 0.0051546 k( 138) = ( 0.5666053 0.4333947 0.0000000), wk = 0.0051546 k( 139) = ( 0.5555045 0.4444955 0.0000000), wk = 0.0051546 k( 140) = ( 0.5444036 0.4555964 0.0000000), wk = 0.0051546 k( 141) = ( 0.5333027 0.4666973 0.0000000), wk = 0.0051546 k( 142) = ( 0.5222018 0.4777982 0.0000000), wk = 0.0051546 k( 143) = ( 0.5111009 0.4888991 0.0000000), wk = 0.0051546 k( 144) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 145) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 146) = ( 0.5133211 0.5133211 0.0233579), wk = 0.0051546 k( 147) = ( 0.5266421 0.5266421 0.0467157), wk = 0.0051546 k( 148) = ( 0.5399632 0.5399632 0.0700736), wk = 0.0051546 k( 149) = ( 0.5532843 0.5532843 0.0934315), wk = 0.0051546 k( 150) = ( 0.5666053 0.5666053 0.1167893), wk = 0.0051546 k( 151) = ( 0.5799264 0.5799264 0.1401472), wk = 0.0051546 k( 152) = ( 0.5932475 0.5932475 0.1635050), wk = 0.0051546 k( 153) = ( 0.6065685 0.6065685 0.1868629), wk = 0.0051546 k( 154) = ( 0.6198896 0.6198896 0.2102208), wk = 0.0051546 k( 155) = ( 0.6332107 0.6332107 0.2335786), wk = 0.0051546 k( 156) = ( 0.6332107 0.6332107 0.2335786), wk = 0.0051546 k( 157) = ( 0.6265501 0.6265501 0.2468997), wk = 0.0051546 k( 158) = ( 0.6198896 0.6198896 0.2602208), wk = 0.0051546 k( 159) = ( 0.6132291 0.6132291 0.2735418), wk = 0.0051546 k( 160) = ( 0.6065685 0.6065685 0.2868629), wk = 0.0051546 k( 161) = ( 0.5999080 0.5999080 0.3001840), wk = 0.0051546 k( 162) = ( 0.5932475 0.5932475 0.3135051), wk = 0.0051546 k( 163) = ( 0.5865869 0.5865869 0.3268261), wk = 0.0051546 k( 164) = ( 0.5799264 0.5799264 0.3401472), wk = 0.0051546 k( 165) = ( 0.5732659 0.5732659 0.3534682), wk = 0.0051546 k( 166) = ( 0.5666053 0.5666053 0.3667893), wk = 0.0051546 k( 167) = ( 0.5599448 0.5599448 0.3801104), wk = 0.0051546 k( 168) = ( 0.5532843 0.5532843 0.3934315), wk = 0.0051546 k( 169) = ( 0.5466237 0.5466237 0.4067525), wk = 0.0051546 k( 170) = ( 0.5399632 0.5399632 0.4200736), wk = 0.0051546 k( 171) = ( 0.5333027 0.5333027 0.4333947), wk = 0.0051546 k( 172) = ( 0.5266421 0.5266421 0.4467157), wk = 0.0051546 k( 173) = ( 0.5199816 0.5199816 0.4600368), wk = 0.0051546 k( 174) = ( 0.5133211 0.5133211 0.4733579), wk = 0.0051546 k( 175) = ( 0.5066605 0.5066605 0.4866789), wk = 0.0051546 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 177) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051546 k( 178) = ( 0.5156718 0.0215758 0.0215758), wk = 0.0051546 k( 179) = ( 0.5313437 0.0431517 0.0431517), wk = 0.0051546 k( 180) = ( 0.5470155 0.0647275 0.0647275), wk = 0.0051546 k( 181) = ( 0.5626874 0.0863034 0.0863034), wk = 0.0051546 k( 182) = ( 0.5783592 0.1078792 0.1078792), wk = 0.0051546 k( 183) = ( 0.5940311 0.1294551 0.1294551), wk = 0.0051546 k( 184) = ( 0.6097029 0.1510309 0.1510309), wk = 0.0051546 k( 185) = ( 0.6253748 0.1726067 0.1726067), wk = 0.0051546 k( 186) = ( 0.6410466 0.1941826 0.1941826), wk = 0.0051546 k( 187) = ( 0.6567184 0.2157584 0.2157584), wk = 0.0051546 k( 188) = ( 0.6723903 0.2373343 0.2373343), wk = 0.0051546 k( 189) = ( 0.6880621 0.2589101 0.2589101), wk = 0.0051546 k( 190) = ( 0.7037340 0.2804859 0.2804859), wk = 0.0051546 k( 191) = ( 0.7194058 0.3020618 0.3020618), wk = 0.0051546 k( 192) = ( 0.7350777 0.3236376 0.3236376), wk = 0.0051546 k( 193) = ( 0.7507495 0.3452135 0.3452135), wk = 0.0051546 k( 194) = ( 0.7664214 0.3667893 0.3667893), wk = 0.0051546 Dense grid: 345487 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 88201 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.64 Mb ( 484, 86) NL pseudopotentials 1.00 Mb ( 242, 272) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 7198) G-vector shells 0.05 Mb ( 5981) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.54 Mb ( 484, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.71 Mb ( 272, 2, 86) The potential is recalculated from file : ./BiI3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.4 secs Computing kpt #: 2 total cpu time spent up to now is 53.9 secs Computing kpt #: 3 total cpu time spent up to now is 61.5 secs Computing kpt #: 4 total cpu time spent up to now is 69.1 secs Computing kpt #: 5 total cpu time spent up to now is 76.9 secs Computing kpt #: 6 total cpu time spent up to now is 85.5 secs Computing kpt #: 7 total cpu time spent up to now is 94.4 secs Computing kpt #: 8 total cpu time spent up to now is 103.4 secs Computing kpt #: 9 total cpu time spent up to now is 113.2 secs Computing kpt #: 10 total cpu time spent up to now is 124.3 secs Computing kpt #: 11 total cpu time spent up to now is 135.9 secs Computing kpt #: 12 total cpu time spent up to now is 149.0 secs Computing kpt #: 13 total cpu time spent up to now is 163.2 secs Computing kpt #: 14 total cpu time spent up to now is 177.7 secs Computing kpt #: 15 total cpu time spent up to now is 190.9 secs Computing kpt #: 16 total cpu time spent up to now is 203.9 secs Computing kpt #: 17 total cpu time spent up to now is 215.2 secs Computing kpt #: 18 total cpu time spent up to now is 226.2 secs Computing kpt #: 19 total cpu time spent up to now is 237.4 secs Computing kpt #: 20 total cpu time spent up to now is 248.5 secs Computing kpt #: 21 total cpu time spent up to now is 259.6 secs Computing kpt #: 22 total cpu time spent up to now is 270.8 secs Computing kpt #: 23 total cpu time spent up to now is 281.7 secs Computing kpt #: 24 total cpu time spent up to now is 292.5 secs Computing kpt #: 25 total cpu time spent up to now is 303.6 secs Computing kpt #: 26 total cpu time spent up to now is 314.7 secs Computing kpt #: 27 total cpu time spent up to now is 325.9 secs Computing kpt #: 28 total cpu time spent up to now is 337.0 secs Computing kpt #: 29 total cpu time spent up to now is 348.2 secs Computing kpt #: 30 total cpu time spent up to now is 359.3 secs Computing kpt #: 31 total cpu time spent up to now is 371.0 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.4 secs Computing kpt #: 33 total cpu time spent up to now is 401.5 secs Computing kpt #: 34 total cpu time spent up to now is 412.2 secs Computing kpt #: 35 total cpu time spent up to now is 421.8 secs Computing kpt #: 36 total cpu time spent up to now is 430.9 secs Computing kpt #: 37 total cpu time spent up to now is 439.7 secs Computing kpt #: 38 total cpu time spent up to now is 448.5 secs Computing kpt #: 39 total cpu time spent up to now is 456.4 secs Computing kpt #: 40 total cpu time spent up to now is 464.4 secs Computing kpt #: 41 total cpu time spent up to now is 472.3 secs Computing kpt #: 42 total cpu time spent up to now is 480.0 secs Computing kpt #: 43 total cpu time spent up to now is 487.7 secs Computing kpt #: 44 total cpu time spent up to now is 495.4 secs Computing kpt #: 45 total cpu time spent up to now is 503.1 secs Computing kpt #: 46 total cpu time spent up to now is 510.8 secs Computing kpt #: 47 total cpu time spent up to now is 518.8 secs Computing kpt #: 48 total cpu time spent up to now is 527.6 secs Computing kpt #: 49 total cpu time spent up to now is 535.4 secs Computing kpt #: 50 total cpu time spent up to now is 543.2 secs Computing kpt #: 51 total cpu time spent up to now is 552.0 secs Computing kpt #: 52 total cpu time spent up to now is 560.9 secs Computing kpt #: 53 total cpu time spent up to now is 570.2 secs Computing kpt #: 54 total cpu time spent up to now is 579.5 secs Computing kpt #: 55 total cpu time spent up to now is 589.1 secs Computing kpt #: 56 total cpu time spent up to now is 598.9 secs Computing kpt #: 57 total cpu time spent up to now is 608.6 secs Computing kpt #: 58 total cpu time spent up to now is 618.4 secs Computing kpt #: 59 total cpu time spent up to now is 629.0 secs Computing kpt #: 60 total cpu time spent up to now is 639.8 secs Computing kpt #: 61 total cpu time spent up to now is 650.4 secs Computing kpt #: 62 total cpu time spent up to now is 659.8 secs Computing kpt #: 63 total cpu time spent up to now is 668.6 secs Computing kpt #: 64 total cpu time spent up to now is 676.4 secs Computing kpt #: 65 total cpu time spent up to now is 684.3 secs Computing kpt #: 66 total cpu time spent up to now is 692.0 secs Computing kpt #: 67 total cpu time spent up to now is 699.6 secs Computing kpt #: 68 total cpu time spent up to now is 707.2 secs Computing kpt #: 69 total cpu time spent up to now is 714.6 secs Computing kpt #: 70 total cpu time spent up to now is 722.0 secs Computing kpt #: 71 total cpu time spent up to now is 729.2 secs Computing kpt #: 72 total cpu time spent up to now is 736.4 secs Computing kpt #: 73 total cpu time spent up to now is 743.6 secs Computing kpt #: 74 total cpu time spent up to now is 750.6 secs Computing kpt #: 75 total cpu time spent up to now is 757.7 secs Computing kpt #: 76 total cpu time spent up to now is 765.0 secs Computing kpt #: 77 total cpu time spent up to now is 772.5 secs Computing kpt #: 78 total cpu time spent up to now is 779.8 secs Computing kpt #: 79 total cpu time spent up to now is 787.2 secs Computing kpt #: 80 total cpu time spent up to now is 794.6 secs Computing kpt #: 81 total cpu time spent up to now is 802.0 secs Computing kpt #: 82 total cpu time spent up to now is 809.5 secs Computing kpt #: 83 total cpu time spent up to now is 816.9 secs Computing kpt #: 84 total cpu time spent up to now is 824.2 secs Computing kpt #: 85 total cpu time spent up to now is 831.5 secs Computing kpt #: 86 total cpu time spent up to now is 838.9 secs Computing kpt #: 87 total cpu time spent up to now is 846.3 secs Computing kpt #: 88 total cpu time spent up to now is 853.6 secs Computing kpt #: 89 total cpu time spent up to now is 861.1 secs Computing kpt #: 90 total cpu time spent up to now is 868.6 secs Computing kpt #: 91 total cpu time spent up to now is 876.3 secs Computing kpt #: 92 total cpu time spent up to now is 884.0 secs Computing kpt #: 93 total cpu time spent up to now is 891.8 secs Computing kpt #: 94 total cpu time spent up to now is 899.4 secs Computing kpt #: 95 total cpu time spent up to now is 906.9 secs Computing kpt #: 96 total cpu time spent up to now is 914.4 secs Computing kpt #: 97 total cpu time spent up to now is 921.9 secs Computing kpt #: 98 total cpu time spent up to now is 929.4 secs Computing kpt #: 99 total cpu time spent up to now is 936.9 secs Computing kpt #: 100 total cpu time spent up to now is 944.2 secs Computing kpt #: 101 total cpu time spent up to now is 951.8 secs Computing kpt #: 102 total cpu time spent up to now is 959.3 secs Computing kpt #: 103 total cpu time spent up to now is 966.9 secs Computing kpt #: 104 total cpu time spent up to now is 975.7 secs Computing kpt #: 105 total cpu time spent up to now is 984.7 secs Computing kpt #: 106 total cpu time spent up to now is 994.0 secs Computing kpt #: 107 total cpu time spent up to now is 1004.8 secs Computing kpt #: 108 total cpu time spent up to now is 1016.2 secs Computing kpt #: 109 total cpu time spent up to now is 1027.5 secs Computing kpt #: 110 total cpu time spent up to now is 1038.5 secs Computing kpt #: 111 total cpu time spent up to now is 1049.2 secs Computing kpt #: 112 total cpu time spent up to now is 1059.9 secs Computing kpt #: 113 total cpu time spent up to now is 1070.4 secs Computing kpt #: 114 total cpu time spent up to now is 1079.9 secs Computing kpt #: 115 total cpu time spent up to now is 1089.7 secs Computing kpt #: 116 total cpu time spent up to now is 1100.1 secs Computing kpt #: 117 total cpu time spent up to now is 1109.7 secs Computing kpt #: 118 total cpu time spent up to now is 1119.2 secs Computing kpt #: 119 total cpu time spent up to now is 1128.9 secs Computing kpt #: 120 total cpu time spent up to now is 1138.6 secs Computing kpt #: 121 total cpu time spent up to now is 1148.4 secs Computing kpt #: 122 total cpu time spent up to now is 1158.1 secs Computing kpt #: 123 total cpu time spent up to now is 1168.7 secs Computing kpt #: 124 total cpu time spent up to now is 1179.8 secs Computing kpt #: 125 total cpu time spent up to now is 1191.0 secs Computing kpt #: 126 total cpu time spent up to now is 1201.8 secs Computing kpt #: 127 total cpu time spent up to now is 1212.3 secs Computing kpt #: 128 total cpu time spent up to now is 1221.7 secs Computing kpt #: 129 total cpu time spent up to now is 1230.5 secs Computing kpt #: 130 total cpu time spent up to now is 1239.3 secs Computing kpt #: 131 total cpu time spent up to now is 1247.0 secs Computing kpt #: 132 total cpu time spent up to now is 1254.7 secs Computing kpt #: 133 total cpu time spent up to now is 1262.3 secs Computing kpt #: 134 total cpu time spent up to now is 1269.7 secs Computing kpt #: 135 total cpu time spent up to now is 1277.4 secs Computing kpt #: 136 total cpu time spent up to now is 1284.8 secs Computing kpt #: 137 total cpu time spent up to now is 1292.2 secs Computing kpt #: 138 total cpu time spent up to now is 1299.6 secs Computing kpt #: 139 total cpu time spent up to now is 1306.9 secs Computing kpt #: 140 total cpu time spent up to now is 1314.2 secs Computing kpt #: 141 total cpu time spent up to now is 1321.4 secs Computing kpt #: 142 total cpu time spent up to now is 1328.5 secs Computing kpt #: 143 total cpu time spent up to now is 1335.5 secs Computing kpt #: 144 total cpu time spent up to now is 1342.7 secs Computing kpt #: 145 total cpu time spent up to now is 1349.8 secs Computing kpt #: 146 total cpu time spent up to now is 1356.9 secs Computing kpt #: 147 total cpu time spent up to now is 1364.0 secs Computing kpt #: 148 total cpu time spent up to now is 1371.4 secs Computing kpt #: 149 total cpu time spent up to now is 1378.6 secs Computing kpt #: 150 total cpu time spent up to now is 1385.7 secs Computing kpt #: 151 total cpu time spent up to now is 1392.8 secs Computing kpt #: 152 total cpu time spent up to now is 1400.1 secs Computing kpt #: 153 total cpu time spent up to now is 1407.3 secs Computing kpt #: 154 total cpu time spent up to now is 1414.6 secs Computing kpt #: 155 total cpu time spent up to now is 1422.0 secs Computing kpt #: 156 total cpu time spent up to now is 1429.3 secs Computing kpt #: 157 total cpu time spent up to now is 1436.6 secs Computing kpt #: 158 total cpu time spent up to now is 1443.9 secs Computing kpt #: 159 total cpu time spent up to now is 1451.2 secs Computing kpt #: 160 total cpu time spent up to now is 1458.7 secs Computing kpt #: 161 total cpu time spent up to now is 1466.3 secs Computing kpt #: 162 total cpu time spent up to now is 1474.1 secs Computing kpt #: 163 total cpu time spent up to now is 1482.0 secs Computing kpt #: 164 total cpu time spent up to now is 1491.0 secs Computing kpt #: 165 total cpu time spent up to now is 1500.0 secs Computing kpt #: 166 total cpu time spent up to now is 1508.6 secs Computing kpt #: 167 total cpu time spent up to now is 1517.5 secs Computing kpt #: 168 total cpu time spent up to now is 1526.4 secs Computing kpt #: 169 total cpu time spent up to now is 1535.0 secs Computing kpt #: 170 total cpu time spent up to now is 1542.8 secs Computing kpt #: 171 total cpu time spent up to now is 1550.5 secs Computing kpt #: 172 total cpu time spent up to now is 1558.0 secs Computing kpt #: 173 total cpu time spent up to now is 1565.4 secs Computing kpt #: 174 total cpu time spent up to now is 1572.9 secs Computing kpt #: 175 total cpu time spent up to now is 1580.0 secs Computing kpt #: 176 total cpu time spent up to now is 1587.1 secs Computing kpt #: 177 total cpu time spent up to now is 1598.2 secs Computing kpt #: 178 total cpu time spent up to now is 1609.0 secs Computing kpt #: 179 total cpu time spent up to now is 1619.7 secs Computing kpt #: 180 total cpu time spent up to now is 1630.3 secs Computing kpt #: 181 total cpu time spent up to now is 1640.0 secs Computing kpt #: 182 total cpu time spent up to now is 1649.6 secs Computing kpt #: 183 total cpu time spent up to now is 1658.8 secs Computing kpt #: 184 total cpu time spent up to now is 1667.9 secs Computing kpt #: 185 total cpu time spent up to now is 1676.6 secs Computing kpt #: 186 total cpu time spent up to now is 1684.6 secs Computing kpt #: 187 total cpu time spent up to now is 1692.3 secs Computing kpt #: 188 total cpu time spent up to now is 1699.8 secs Computing kpt #: 189 total cpu time spent up to now is 1707.3 secs Computing kpt #: 190 total cpu time spent up to now is 1714.6 secs Computing kpt #: 191 total cpu time spent up to now is 1721.9 secs Computing kpt #: 192 total cpu time spent up to now is 1729.2 secs Computing kpt #: 193 total cpu time spent up to now is 1736.5 secs Computing kpt #: 194 total cpu time spent up to now is 1743.8 secs ethr = 1.39E-11, avg # of iterations = 46.5 total cpu time spent up to now is 1744.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10971 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5152 -8.5152 -7.0794 -7.0794 -6.9898 -6.9898 -6.9661 -6.9661 -6.8916 -6.8916 -6.8844 -6.8844 -5.6247 -5.6247 -4.5549 -4.5549 0.4143 0.4143 0.6799 0.6799 0.8216 0.8216 1.2849 1.2849 1.3664 1.3664 1.7647 1.7647 2.1247 2.1247 3.2291 3.2291 3.3643 3.3643 3.3829 3.3829 3.5011 3.5011 3.5805 3.5805 3.6673 3.6673 4.1084 4.1084 4.1853 4.1853 4.2852 4.2852 4.4584 4.4584 4.5703 4.5703 6.0286 6.0286 6.8252 6.8252 7.6206 7.6206 7.8072 7.8072 7.8696 7.8696 8.3148 8.3148 10.5752 10.5752 k = 0.0192-0.0134-0.0091 ( 10983 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4860 -16.4860 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.5143 -8.5143 -7.0792 -7.0792 -6.9913 -6.9913 -6.9677 -6.9677 -6.8915 -6.8915 -6.8845 -6.8845 -5.6225 -5.6225 -4.5549 -4.5549 0.4150 0.4150 0.6805 0.6805 0.8202 0.8202 1.2862 1.2862 1.3680 1.3680 1.7657 1.7657 2.1280 2.1280 3.2224 3.2224 3.3450 3.3450 3.3928 3.3928 3.4999 3.4999 3.5809 3.5809 3.6746 3.6746 4.1024 4.1024 4.1906 4.1906 4.2819 4.2819 4.4611 4.4611 4.5722 4.5722 6.0289 6.0289 6.8250 6.8250 7.6213 7.6213 7.8025 7.8025 7.8751 7.8751 8.3158 8.3158 10.5794 10.5794 k = 0.0385-0.0267-0.0183 ( 10986 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4873 -16.4873 -16.4858 -16.4858 -16.4824 -16.4824 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.5116 -8.5116 -7.0789 -7.0789 -6.9965 -6.9965 -6.9715 -6.9715 -6.8915 -6.8915 -6.8846 -6.8846 -5.6160 -5.6160 -4.5548 -4.5548 0.4169 0.4169 0.6823 0.6823 0.8165 0.8165 1.2892 1.2892 1.3732 1.3732 1.7689 1.7689 2.1378 2.1378 3.2005 3.2005 3.3161 3.3161 3.3980 3.3980 3.4952 3.4952 3.5839 3.5839 3.6926 3.6926 4.0878 4.0878 4.2025 4.2025 4.2727 4.2727 4.4690 4.4690 4.5780 4.5780 6.0300 6.0300 6.8242 6.8242 7.6230 7.6230 7.7922 7.7922 7.8884 7.8884 8.3187 8.3187 10.5916 10.5916 k = 0.0577-0.0401-0.0274 ( 10991 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4875 -16.4875 -16.4856 -16.4856 -16.4825 -16.4825 -16.4796 -16.4796 -16.4676 -16.4676 -16.4618 -16.4618 -8.5072 -8.5072 -7.0783 -7.0783 -7.0066 -7.0066 -6.9759 -6.9759 -6.8921 -6.8921 -6.8845 -6.8845 -5.6054 -5.6054 -4.5548 -4.5548 0.4198 0.4198 0.6851 0.6851 0.8116 0.8116 1.2920 1.2920 1.3834 1.3834 1.7742 1.7742 2.1536 2.1536 3.1615 3.1615 3.2906 3.2906 3.3942 3.3942 3.4872 3.4872 3.5904 3.5904 3.7147 3.7147 4.0692 4.0692 4.2142 4.2142 4.2614 4.2614 4.4806 4.4806 4.5870 4.5870 6.0321 6.0321 6.8231 6.8231 7.6253 7.6253 7.7811 7.7811 7.9050 7.9050 8.3236 8.3236 10.6113 10.6113 k = 0.0769-0.0534-0.0365 ( 10994 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4877 -16.4877 -16.4853 -16.4853 -16.4827 -16.4827 -16.4795 -16.4795 -16.4676 -16.4676 -16.4618 -16.4618 -8.5010 -8.5010 -7.0775 -7.0775 -7.0223 -7.0223 -6.9796 -6.9796 -6.8937 -6.8937 -6.8841 -6.8841 -5.5908 -5.5908 -4.5548 -4.5548 0.4232 0.4232 0.6882 0.6882 0.8074 0.8074 1.2929 1.2929 1.3994 1.3994 1.7818 1.7818 2.1747 2.1747 3.1092 3.1092 3.2689 3.2689 3.3826 3.3826 3.4781 3.4781 3.5985 3.5985 3.7360 3.7360 4.0490 4.0490 4.2142 4.2142 4.2584 4.2584 4.4939 4.4939 4.5988 4.5988 6.0354 6.0354 6.8215 6.8215 7.6273 7.6273 7.7719 7.7719 7.9229 7.9229 8.3305 8.3305 10.6373 10.6373 k = 0.0962-0.0668-0.0456 ( 11010 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4537 -19.4537 -19.4527 -19.4527 -16.4879 -16.4879 -16.4850 -16.4850 -16.4829 -16.4829 -16.4793 -16.4793 -16.4675 -16.4675 -16.4619 -16.4619 -8.4930 -8.4930 -7.0767 -7.0767 -7.0427 -7.0427 -6.9829 -6.9829 -6.8963 -6.8963 -6.8833 -6.8833 -5.5727 -5.5727 -4.5548 -4.5548 0.4265 0.4265 0.6909 0.6909 0.8061 0.8061 1.2912 1.2912 1.4210 1.4210 1.7916 1.7916 2.2003 2.2003 3.0500 3.0500 3.2477 3.2477 3.3648 3.3648 3.4698 3.4698 3.6066 3.6066 3.7538 3.7538 4.0285 4.0285 4.1984 4.1984 4.2678 4.2678 4.5069 4.5069 4.6130 4.6130 6.0406 6.0406 6.8196 6.8196 7.6280 7.6280 7.7666 7.7666 7.9412 7.9412 8.3394 8.3394 10.6681 10.6681 k = 0.1154-0.0801-0.0548 ( 11005 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4536 -19.4536 -19.4527 -19.4527 -16.4881 -16.4881 -16.4848 -16.4848 -16.4831 -16.4831 -16.4792 -16.4792 -16.4674 -16.4674 -16.4619 -16.4619 -8.4833 -8.4833 -7.0766 -7.0766 -7.0661 -7.0661 -6.9859 -6.9859 -6.9001 -6.9001 -6.8823 -6.8823 -5.5514 -5.5514 -4.5550 -4.5550 0.4291 0.4291 0.6924 0.6924 0.8103 0.8103 1.2872 1.2872 1.4471 1.4471 1.8034 1.8034 2.2293 2.2293 2.9886 2.9886 3.2245 3.2245 3.3427 3.3427 3.4627 3.4627 3.6136 3.6136 3.7670 3.7670 4.0085 4.0085 4.1768 4.1768 4.2799 4.2799 4.5177 4.5177 4.6287 4.6287 6.0482 6.0482 6.8173 6.8173 7.6268 7.6268 7.7661 7.7661 7.9591 7.9591 8.3503 8.3503 10.7013 10.7013 k = 0.1346-0.0935-0.0639 ( 11001 PWs) bands (ev): -19.4575 -19.4575 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4883 -16.4883 -16.4845 -16.4845 -16.4834 -16.4834 -16.4791 -16.4791 -16.4674 -16.4674 -16.4619 -16.4619 -8.4719 -8.4719 -7.0963 -7.0963 -7.0732 -7.0732 -6.9887 -6.9887 -6.9047 -6.9047 -6.8814 -6.8814 -5.5273 -5.5273 -4.5554 -4.5554 0.4302 0.4302 0.6925 0.6925 0.8212 0.8212 1.2814 1.2814 1.4762 1.4762 1.8169 1.8169 2.2606 2.2606 2.9280 2.9280 3.1985 3.1985 3.3179 3.3179 3.4565 3.4565 3.6190 3.6190 3.7756 3.7756 3.9893 3.9893 4.1540 4.1540 4.2902 4.2902 4.5251 4.5251 4.6446 4.6446 6.0591 6.0591 6.8148 6.8148 7.6238 7.6238 7.7705 7.7705 7.9761 7.9761 8.3630 8.3630 10.7340 10.7340 k = 0.1538-0.1068-0.0730 ( 11006 PWs) bands (ev): -19.4574 -19.4574 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4885 -16.4885 -16.4844 -16.4844 -16.4835 -16.4835 -16.4790 -16.4790 -16.4673 -16.4673 -16.4620 -16.4620 -8.4589 -8.4589 -7.1269 -7.1269 -7.0723 -7.0723 -6.9913 -6.9913 -6.9101 -6.9101 -6.8806 -6.8806 -5.5009 -5.5009 -4.5560 -4.5560 0.4292 0.4292 0.6919 0.6919 0.8392 0.8392 1.2743 1.2743 1.5070 1.5070 1.8320 1.8320 2.2930 2.2930 2.8704 2.8704 3.1694 3.1694 3.2921 3.2921 3.4508 3.4508 3.6224 3.6224 3.7798 3.7798 3.9714 3.9714 4.1319 4.1319 4.2972 4.2972 4.5287 4.5287 4.6586 4.6586 6.0739 6.0739 6.8120 6.8120 7.6200 7.6200 7.7788 7.7788 7.9920 7.9920 8.3772 8.3772 10.7622 10.7622 k = 0.1731-0.1202-0.0821 ( 11008 PWs) bands (ev): -19.4574 -19.4574 -19.4548 -19.4548 -19.4536 -19.4536 -19.4527 -19.4527 -16.4887 -16.4887 -16.4844 -16.4844 -16.4835 -16.4835 -16.4789 -16.4789 -16.4672 -16.4672 -16.4620 -16.4620 -8.4441 -8.4441 -7.1602 -7.1602 -7.0711 -7.0711 -6.9936 -6.9936 -6.9160 -6.9160 -6.8800 -6.8800 -5.4725 -5.4725 -4.5569 -4.5569 0.4257 0.4257 0.6922 0.6922 0.8635 0.8635 1.2664 1.2664 1.5384 1.5384 1.8481 1.8481 2.3252 2.3252 2.8175 2.8175 3.1383 3.1383 3.2663 3.2663 3.4454 3.4454 3.6234 3.6234 3.7803 3.7803 3.9551 3.9551 4.1114 4.1114 4.3002 4.3002 4.5289 4.5289 4.6686 4.6686 6.0932 6.0932 6.8090 6.8090 7.6165 7.6165 7.7898 7.7898 8.0064 8.0064 8.3927 8.3927 10.7813 10.7813 k = 0.1923-0.1335-0.0913 ( 11031 PWs) bands (ev): -19.4574 -19.4574 -19.4549 -19.4549 -19.4535 -19.4535 -19.4527 -19.4527 -16.4888 -16.4888 -16.4846 -16.4846 -16.4833 -16.4833 -16.4788 -16.4788 -16.4671 -16.4671 -16.4621 -16.4621 -8.4278 -8.4278 -7.1957 -7.1957 -7.0699 -7.0699 -6.9955 -6.9955 -6.9225 -6.9225 -6.8797 -6.8797 -5.4425 -5.4425 -4.5583 -4.5583 0.4198 0.4198 0.6943 0.6943 0.8932 0.8932 1.2578 1.2578 1.5691 1.5691 1.8650 1.8650 2.3554 2.3554 2.7706 2.7706 3.1066 3.1066 3.2412 3.2412 3.4399 3.4399 3.6216 3.6216 3.7776 3.7776 3.9405 3.9405 4.0931 4.0931 4.2989 4.2989 4.5259 4.5259 4.6731 4.6731 6.1173 6.1173 6.8057 6.8057 7.6144 7.6144 7.8023 7.8023 8.0192 8.0192 8.4087 8.4087 10.7869 10.7869 k = 0.2115-0.1469-0.1004 ( 11027 PWs) bands (ev): -19.4574 -19.4574 -19.4549 -19.4549 -19.4535 -19.4535 -19.4527 -19.4527 -16.4889 -16.4889 -16.4848 -16.4848 -16.4830 -16.4830 -16.4787 -16.4787 -16.4669 -16.4669 -16.4622 -16.4622 -8.4099 -8.4099 -7.2330 -7.2330 -7.0689 -7.0689 -6.9971 -6.9971 -6.9293 -6.9293 -6.8797 -6.8797 -5.4114 -5.4114 -4.5601 -4.5601 0.4115 0.4115 0.6992 0.6992 0.9272 0.9272 1.2488 1.2488 1.5979 1.5979 1.8825 1.8825 2.3819 2.3819 2.7309 2.7309 3.0763 3.0763 3.2177 3.2177 3.4343 3.4343 3.6165 3.6165 3.7725 3.7725 3.9277 3.9277 4.0774 4.0774 4.2931 4.2931 4.5201 4.5201 4.6715 4.6715 6.1460 6.1460 6.8021 6.8021 7.6145 7.6145 7.8153 7.8153 8.0303 8.0303 8.4248 8.4248 10.7786 10.7786 k = 0.2308-0.1602-0.1095 ( 11029 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4527 -19.4527 -16.4891 -16.4891 -16.4851 -16.4851 -16.4827 -16.4827 -16.4786 -16.4786 -16.4668 -16.4668 -16.4622 -16.4622 -8.3904 -8.3904 -7.2716 -7.2716 -7.0680 -7.0680 -6.9981 -6.9981 -6.9363 -6.9363 -6.8800 -6.8800 -5.3796 -5.3796 -4.5624 -4.5624 0.4013 0.4013 0.7069 0.7069 0.9645 0.9645 1.2396 1.2396 1.6238 1.6238 1.9010 1.9010 2.4026 2.4026 2.6988 2.6988 3.0493 3.0493 3.1968 3.1968 3.4281 3.4281 3.6078 3.6078 3.7653 3.7653 3.9167 3.9167 4.0643 4.0643 4.2828 4.2828 4.5119 4.5119 4.6639 4.6639 6.1786 6.1786 6.7982 6.7982 7.6172 7.6172 7.8279 7.8279 8.0400 8.0400 8.4401 8.4401 10.7597 10.7597 k = 0.2500-0.1736-0.1186 ( 11022 PWs) bands (ev): -19.4573 -19.4573 -19.4551 -19.4551 -19.4534 -19.4534 -19.4527 -19.4527 -16.4892 -16.4892 -16.4854 -16.4854 -16.4825 -16.4825 -16.4786 -16.4786 -16.4667 -16.4667 -16.4623 -16.4623 -8.3696 -8.3696 -7.3114 -7.3114 -7.0672 -7.0672 -6.9988 -6.9988 -6.9431 -6.9431 -6.8807 -6.8807 -5.3474 -5.3474 -4.5652 -4.5652 0.3896 0.3896 0.7175 0.7175 1.0039 1.0039 1.2304 1.2304 1.6453 1.6453 1.9208 1.9208 2.4158 2.4158 2.6744 2.6744 3.0278 3.0278 3.1794 3.1794 3.4214 3.4214 3.5955 3.5955 3.7566 3.7566 3.9072 3.9072 4.0537 4.0537 4.2682 4.2682 4.5016 4.5016 4.6512 4.6512 6.2141 6.2141 6.7939 6.7939 7.6228 7.6228 7.8396 7.8396 8.0487 8.0487 8.4539 8.4539 10.7344 10.7344 k = 0.2692-0.1869-0.1278 ( 11030 PWs) bands (ev): -19.4572 -19.4572 -19.4552 -19.4552 -19.4534 -19.4534 -19.4527 -19.4527 -16.4892 -16.4892 -16.4857 -16.4857 -16.4822 -16.4822 -16.4785 -16.4785 -16.4666 -16.4666 -16.4624 -16.4624 -8.3474 -8.3474 -7.3519 -7.3519 -7.0667 -7.0667 -6.9993 -6.9993 -6.9497 -6.9497 -6.8817 -6.8817 -5.3151 -5.3151 -4.5687 -4.5687 0.3771 0.3771 0.7307 0.7307 1.0442 1.0442 1.2218 1.2218 1.6615 1.6615 1.9427 1.9427 2.4204 2.4204 2.6572 2.6572 3.0132 3.0132 3.1666 3.1666 3.4140 3.4140 3.5797 3.5797 3.7467 3.7467 3.8987 3.8987 4.0455 4.0455 4.2497 4.2497 4.4894 4.4894 4.6346 4.6346 6.2513 6.2513 6.7892 6.7892 7.6312 7.6312 7.8499 7.8499 8.0570 8.0570 8.4656 8.4656 10.7053 10.7053 k = 0.2885-0.2003-0.1369 ( 11027 PWs) bands (ev): -19.4572 -19.4572 -19.4552 -19.4552 -19.4533 -19.4533 -19.4527 -19.4527 -16.4893 -16.4893 -16.4860 -16.4860 -16.4819 -16.4819 -16.4785 -16.4785 -16.4664 -16.4664 -16.4625 -16.4625 -8.3239 -8.3239 -7.3928 -7.3928 -7.0663 -7.0663 -6.9997 -6.9997 -6.9556 -6.9556 -6.8831 -6.8831 -5.2832 -5.2832 -4.5727 -4.5727 0.3643 0.3643 0.7462 0.7462 1.0833 1.0833 1.2150 1.2150 1.6715 1.6715 1.9675 1.9675 2.4161 2.4161 2.6460 2.6460 3.0060 3.0060 3.1591 3.1591 3.4057 3.4057 3.5609 3.5609 3.7358 3.7358 3.8906 3.8906 4.0394 4.0394 4.2282 4.2282 4.4757 4.4757 4.6156 4.6156 6.2890 6.2890 6.7840 6.7840 7.6420 7.6420 7.8584 7.8584 8.0657 8.0657 8.4745 8.4745 10.6730 10.6730 k = 0.3077-0.2136-0.1460 ( 11043 PWs) bands (ev): -19.4572 -19.4572 -19.4553 -19.4553 -19.4533 -19.4533 -19.4527 -19.4527 -16.4893 -16.4893 -16.4863 -16.4863 -16.4816 -16.4816 -16.4785 -16.4785 -16.4663 -16.4663 -16.4625 -16.4625 -8.2994 -8.2994 -7.4338 -7.4338 -7.0660 -7.0660 -7.0005 -7.0005 -6.9605 -6.9605 -6.8849 -6.8849 -5.2519 -5.2519 -4.5773 -4.5773 0.3515 0.3515 0.7635 0.7635 1.1177 1.1177 1.2130 1.2130 1.6750 1.6750 1.9959 1.9959 2.4037 2.4037 2.6399 2.6399 3.0054 3.0054 3.1570 3.1570 3.3968 3.3968 3.5397 3.5397 3.7241 3.7241 3.8825 3.8825 4.0346 4.0346 4.2049 4.2049 4.4607 4.4607 4.5955 4.5955 6.3259 6.3259 6.7783 6.7783 7.6546 7.6546 7.8647 7.8647 8.0759 8.0759 8.4801 8.4801 10.6383 10.6383 k = 0.3269-0.2270-0.1551 ( 11050 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4527 -19.4527 -16.4893 -16.4893 -16.4865 -16.4865 -16.4814 -16.4814 -16.4785 -16.4785 -16.4661 -16.4661 -16.4626 -16.4626 -8.2739 -8.2739 -7.4747 -7.4747 -7.0657 -7.0657 -7.0022 -7.0022 -6.9638 -6.9638 -6.8870 -6.8870 -5.2218 -5.2218 -4.5824 -4.5824 0.3391 0.3391 0.7821 0.7821 1.1409 1.1409 1.2213 1.2213 1.6727 1.6727 2.0279 2.0279 2.3846 2.3846 2.6382 2.6382 3.0098 3.0098 3.1591 3.1591 3.3878 3.3878 3.5174 3.5174 3.7118 3.7118 3.8738 3.8738 4.0302 4.0302 4.1819 4.1819 4.4446 4.4446 4.5756 4.5756 6.3612 6.3612 6.7721 6.7721 7.6682 7.6682 7.8687 7.8687 8.0885 8.0885 8.4822 8.4822 10.6023 10.6023 k = 0.3462-0.2403-0.1643 ( 11047 PWs) bands (ev): -19.4571 -19.4571 -19.4555 -19.4555 -19.4532 -19.4532 -19.4527 -19.4527 -16.4893 -16.4893 -16.4868 -16.4868 -16.4811 -16.4811 -16.4785 -16.4785 -16.4660 -16.4660 -16.4627 -16.4627 -8.2477 -8.2477 -7.5150 -7.5150 -7.0654 -7.0654 -7.0051 -7.0051 -6.9652 -6.9652 -6.8894 -6.8894 -5.1930 -5.1930 -4.5880 -4.5880 0.3274 0.3274 0.8013 0.8013 1.1502 1.1502 1.2423 1.2423 1.6657 1.6657 2.0629 2.0629 2.3613 2.3613 2.6398 2.6398 3.0173 3.0173 3.1629 3.1629 3.3795 3.3795 3.4953 3.4953 3.6995 3.6995 3.8644 3.8644 4.0245 4.0245 4.1616 4.1616 4.4277 4.4277 4.5566 4.5566 6.3941 6.3941 6.7655 6.7655 7.6818 7.6818 7.8705 7.8705 8.1044 8.1044 8.4806 8.4806 10.5665 10.5665 k = 0.3654-0.2537-0.1734 ( 11049 PWs) bands (ev): -19.4570 -19.4570 -19.4556 -19.4556 -19.4532 -19.4532 -19.4527 -19.4527 -16.4893 -16.4893 -16.4871 -16.4871 -16.4809 -16.4809 -16.4785 -16.4785 -16.4659 -16.4659 -16.4628 -16.4628 -8.2211 -8.2211 -7.5543 -7.5543 -7.0649 -7.0649 -7.0089 -7.0089 -6.9650 -6.9650 -6.8920 -6.8920 -5.1660 -5.1660 -4.5938 -4.5938 0.3167 0.3167 0.8203 0.8203 1.1525 1.1525 1.2680 1.2680 1.6561 1.6561 2.0989 2.0989 2.3374 2.3374 2.6437 2.6437 3.0261 3.0261 3.1654 3.1654 3.3730 3.3730 3.4755 3.4755 3.6877 3.6877 3.8538 3.8538 4.0156 4.0156 4.1466 4.1466 4.4103 4.4103 4.5392 4.5392 6.4240 6.4240 6.7585 6.7585 7.6945 7.6945 7.8705 7.8705 8.1240 8.1240 8.4752 8.4752 10.5324 10.5324 k = 0.3846-0.2670-0.1825 ( 11062 PWs) bands (ev): -19.4570 -19.4570 -19.4556 -19.4556 -19.4531 -19.4531 -19.4527 -19.4527 -16.4893 -16.4893 -16.4873 -16.4873 -16.4807 -16.4807 -16.4785 -16.4785 -16.4657 -16.4657 -16.4629 -16.4629 -8.1945 -8.1945 -7.5922 -7.5922 -7.0642 -7.0642 -7.0135 -7.0135 -6.9635 -6.9635 -6.8948 -6.8948 -5.1413 -5.1413 -4.5997 -4.5997 0.3071 0.3071 0.8382 0.8382 1.1545 1.1545 1.2908 1.2908 1.6464 1.6464 2.1312 2.1312 2.3191 2.3191 2.6479 2.6479 3.0336 3.0336 3.1651 3.1651 3.3670 3.3670 3.4614 3.4614 3.6776 3.6776 3.8416 3.8416 4.0031 4.0031 4.1383 4.1383 4.3930 4.3930 4.5237 4.5237 6.4507 6.4507 6.7513 6.7513 7.7055 7.7055 7.8692 7.8692 8.1472 8.1472 8.4660 8.4660 10.5010 10.5010 k = 0.4038-0.2804-0.1916 ( 11046 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4876 -16.4876 -16.4805 -16.4805 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.1685 -8.1685 -7.6278 -7.6278 -7.0633 -7.0633 -7.0182 -7.0182 -6.9613 -6.9613 -6.8977 -6.8977 -5.1192 -5.1192 -4.6056 -4.6056 0.2988 0.2988 0.8540 0.8540 1.1595 1.1595 1.3062 1.3062 1.6391 1.6391 2.1506 2.1506 2.3166 2.3166 2.6505 2.6505 3.0360 3.0360 3.1643 3.1643 3.3577 3.3577 3.4568 3.4568 3.6704 3.6704 3.8273 3.8273 3.9880 3.9880 4.1360 4.1360 4.3763 4.3763 4.5103 4.5103 6.4740 6.4740 6.7441 6.7441 7.7143 7.7143 7.8673 7.8673 8.1735 8.1735 8.4533 8.4533 10.4732 10.4732 k = 0.4231-0.2937-0.2008 ( 11047 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4878 -16.4878 -16.4803 -16.4803 -16.4786 -16.4786 -16.4655 -16.4655 -16.4631 -16.4631 -8.1439 -8.1439 -7.6604 -7.6604 -7.0623 -7.0623 -7.0228 -7.0228 -6.9587 -6.9587 -6.9005 -6.9005 -5.1003 -5.1003 -4.6110 -4.6110 0.2919 0.2919 0.8670 0.8670 1.1688 1.1688 1.3118 1.3118 1.6363 1.6363 2.1504 2.1504 2.3374 2.3374 2.6492 2.6492 3.0303 3.0303 3.1686 3.1686 3.3422 3.3422 3.4619 3.4619 3.6677 3.6677 3.8104 3.8104 3.9728 3.9728 4.1379 4.1379 4.3607 4.3607 4.4992 4.4992 6.4936 6.4936 6.7372 6.7372 7.7208 7.7208 7.8654 7.8654 8.2020 8.2020 8.4374 8.4374 10.4497 10.4497 k = 0.4423-0.3071-0.2099 ( 11036 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4880 -16.4880 -16.4801 -16.4801 -16.4787 -16.4787 -16.4654 -16.4654 -16.4631 -16.4631 -8.1218 -8.1218 -7.6887 -7.6887 -7.0611 -7.0611 -7.0269 -7.0269 -6.9562 -6.9562 -6.9031 -6.9031 -5.0849 -5.0849 -4.6156 -4.6156 0.2864 0.2864 0.8767 0.8767 1.1829 1.1829 1.3072 1.3072 1.6379 1.6379 2.1374 2.1374 2.3745 2.3745 2.6422 2.6422 3.0174 3.0174 3.1805 3.1805 3.3216 3.3216 3.4719 3.4719 3.6710 3.6710 3.7906 3.7906 3.9597 3.9597 4.1419 4.1419 4.3471 4.3471 4.4906 4.4906 6.5093 6.5093 6.7310 6.7310 7.7252 7.7252 7.8637 7.8637 8.2314 8.2314 8.4189 8.4189 10.4309 10.4309 k = 0.4615-0.3204-0.2190 ( 11038 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4889 -16.4889 -16.4882 -16.4882 -16.4800 -16.4800 -16.4788 -16.4788 -16.4654 -16.4654 -16.4632 -16.4632 -8.1040 -8.1040 -7.7111 -7.7111 -7.0599 -7.0599 -7.0303 -7.0303 -6.9540 -6.9540 -6.9052 -6.9052 -5.0736 -5.0736 -4.6193 -4.6193 0.2824 0.2824 0.8833 0.8833 1.2010 1.2010 1.2942 1.2942 1.6424 1.6424 2.1221 2.1221 2.4165 2.4165 2.6287 2.6287 3.0028 3.0028 3.1987 3.1987 3.2983 3.2983 3.4815 3.4815 3.6813 3.6813 3.7682 3.7682 3.9498 3.9498 4.1463 4.1463 4.3365 4.3365 4.4843 4.4843 6.5210 6.5210 6.7261 6.7261 7.7278 7.7278 7.8625 7.8625 8.2598 8.2598 8.3987 8.3987 10.4172 10.4172 k = 0.4808-0.3338-0.2281 ( 11018 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4884 -16.4884 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0921 -8.0921 -7.7256 -7.7256 -7.0590 -7.0590 -7.0326 -7.0326 -6.9525 -6.9525 -6.9067 -6.9067 -5.0666 -5.0666 -4.6216 -4.6216 0.2800 0.2800 0.8871 0.8871 1.2212 1.2212 1.2763 1.2763 1.6467 1.6467 2.1107 2.1107 2.4526 2.4526 2.6121 2.6121 2.9920 2.9920 3.2202 3.2202 3.2742 3.2742 3.4878 3.4878 3.6980 3.6980 3.7444 3.7444 3.9438 3.9438 4.1495 4.1495 4.3295 4.3295 4.4805 4.4805 6.5281 6.5281 6.7229 6.7229 7.7292 7.7292 7.8618 7.8618 8.2839 8.2839 8.3799 8.3799 10.4089 10.4089 k = 0.5000-0.3471-0.2373 ( 11024 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0880 -8.0880 -7.7307 -7.7307 -7.0587 -7.0587 -7.0334 -7.0334 -6.9520 -6.9520 -6.9072 -6.9072 -5.0643 -5.0643 -4.6224 -4.6224 0.2792 0.2792 0.8883 0.8883 1.2344 1.2344 1.2637 1.2637 1.6485 1.6485 2.1065 2.1065 2.4682 2.4682 2.6032 2.6032 2.9881 2.9881 3.2367 3.2367 3.2570 3.2570 3.4900 3.4900 3.7155 3.7155 3.7247 3.7247 3.9418 3.9418 4.1508 4.1508 4.3271 4.3271 4.4792 4.4792 6.5306 6.5306 6.7217 6.7217 7.7296 7.7296 7.8616 7.8616 8.2949 8.2949 8.3707 8.3707 10.4061 10.4061 k = 0.5000-0.3471-0.2373 ( 11024 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0880 -8.0880 -7.7307 -7.7307 -7.0587 -7.0587 -7.0334 -7.0334 -6.9520 -6.9520 -6.9072 -6.9072 -5.0643 -5.0643 -4.6224 -4.6224 0.2792 0.2792 0.8883 0.8883 1.2344 1.2344 1.2637 1.2637 1.6485 1.6485 2.1065 2.1065 2.4682 2.4682 2.6032 2.6032 2.9881 2.9881 3.2367 3.2367 3.2570 3.2570 3.4900 3.4900 3.7155 3.7155 3.7247 3.7247 3.9418 3.9418 4.1508 4.1508 4.3271 4.3271 4.4792 4.4792 6.5306 6.5306 6.7217 6.7217 7.7296 7.7296 7.8616 7.8616 8.2949 8.2949 8.3707 8.3707 10.4061 10.4061 k = 0.5000-0.3336-0.2571 ( 11026 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4889 -16.4889 -16.4883 -16.4883 -16.4800 -16.4800 -16.4787 -16.4787 -16.4653 -16.4653 -16.4632 -16.4632 -8.0871 -8.0871 -7.7309 -7.7309 -7.0611 -7.0611 -7.0326 -7.0326 -6.9524 -6.9524 -6.9066 -6.9066 -5.0625 -5.0625 -4.6232 -4.6232 0.2816 0.2816 0.8862 0.8862 1.2273 1.2273 1.2719 1.2719 1.6479 1.6479 2.1071 2.1071 2.4639 2.4639 2.6048 2.6048 2.9877 2.9877 3.2313 3.2313 3.2635 3.2635 3.4899 3.4899 3.7012 3.7012 3.7404 3.7404 3.9392 3.9392 4.1533 4.1533 4.3256 4.3256 4.4803 4.4803 6.5290 6.5290 6.7229 6.7229 7.7290 7.7290 7.8618 7.8618 8.2882 8.2882 8.3773 8.3773 10.4058 10.4058 k = 0.5000-0.3201-0.2769 ( 11034 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4891 -16.4891 -16.4881 -16.4881 -16.4802 -16.4802 -16.4786 -16.4786 -16.4653 -16.4653 -16.4632 -16.4632 -8.0845 -8.0845 -7.7314 -7.7314 -7.0676 -7.0676 -7.0310 -7.0310 -6.9537 -6.9537 -6.9050 -6.9050 -5.0573 -5.0573 -4.6255 -4.6255 0.2886 0.2886 0.8803 0.8803 1.2144 1.2144 1.2880 1.2880 1.6460 1.6460 2.1089 2.1089 2.4521 2.4521 2.6083 2.6083 2.9868 2.9868 3.2224 3.2224 3.2757 3.2757 3.4894 3.4894 3.6858 3.6858 3.7603 3.7603 3.9320 3.9320 4.1604 4.1604 4.3212 4.3212 4.4834 4.4834 6.5247 6.5247 6.7264 6.7264 7.7272 7.7272 7.8625 7.8625 8.2728 8.2728 8.3924 8.3924 10.4051 10.4051 k = 0.5000-0.3065-0.2967 ( 11032 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4527 -19.4527 -16.4893 -16.4893 -16.4878 -16.4878 -16.4804 -16.4804 -16.4784 -16.4784 -16.4653 -16.4653 -16.4633 -16.4633 -8.0802 -8.0802 -7.7324 -7.7324 -7.0768 -7.0768 -7.0301 -7.0301 -6.9554 -6.9554 -6.9027 -6.9027 -5.0486 -5.0486 -4.6294 -4.6294 0.3002 0.3002 0.8708 0.8708 1.2009 1.2009 1.3063 1.3063 1.6429 1.6429 2.1115 2.1115 2.4356 2.4356 2.6115 2.6115 2.9851 2.9851 3.2141 3.2141 3.2885 3.2885 3.4886 3.4886 3.6739 3.6739 3.7797 3.7797 3.9216 3.9216 4.1706 4.1706 4.3148 4.3148 4.4879 4.4879 6.5180 6.5180 6.7315 6.7315 7.7243 7.7243 7.8639 7.8639 8.2544 8.2544 8.4105 8.4105 10.4038 10.4038 k = 0.5000-0.2930-0.3165 ( 11030 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4895 -16.4895 -16.4875 -16.4875 -16.4807 -16.4807 -16.4782 -16.4782 -16.4652 -16.4652 -16.4633 -16.4633 -8.0741 -8.0741 -7.7338 -7.7338 -7.0879 -7.0879 -7.0304 -7.0304 -6.9572 -6.9572 -6.8998 -6.8998 -5.0367 -5.0367 -4.6349 -4.6349 0.3164 0.3164 0.8584 0.8584 1.1873 1.1873 1.3258 1.3258 1.6384 1.6384 2.1147 2.1147 2.4170 2.4170 2.6130 2.6130 2.9826 2.9826 3.2068 3.2068 3.3005 3.3005 3.4878 3.4878 3.6666 3.6666 3.7973 3.7973 3.9101 3.9101 4.1822 4.1822 4.3075 4.3075 4.4930 4.4930 6.5096 6.5096 6.7377 6.7377 7.7202 7.7202 7.8661 7.8661 8.2356 8.2356 8.4292 8.4292 10.3997 10.3997 k = 0.5000-0.2794-0.3363 ( 11026 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4897 -16.4897 -16.4873 -16.4873 -16.4810 -16.4810 -16.4780 -16.4780 -16.4652 -16.4652 -16.4633 -16.4633 -8.0663 -8.0663 -7.7357 -7.7357 -7.1005 -7.1005 -7.0323 -7.0323 -6.9588 -6.9588 -6.8966 -6.8966 -5.0217 -5.0217 -4.6419 -4.6419 0.3370 0.3370 0.8438 0.8438 1.1739 1.1739 1.3457 1.3457 1.6325 1.6325 2.1182 2.1182 2.3981 2.3981 2.6119 2.6119 2.9787 2.9787 3.1997 3.1997 3.3109 3.3109 3.4878 3.4878 3.6638 3.6638 3.8118 3.8118 3.8997 3.8997 4.1933 4.1933 4.3009 4.3009 4.4982 4.4982 6.5001 6.5001 6.7443 6.7443 7.7153 7.7153 7.8695 7.8695 8.2176 8.2176 8.4474 8.4474 10.3420 10.3420 k = 0.5000-0.2659-0.3561 ( 11048 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4899 -16.4899 -16.4870 -16.4870 -16.4813 -16.4813 -16.4778 -16.4778 -16.4651 -16.4651 -16.4634 -16.4634 -8.0568 -8.0568 -7.7384 -7.7384 -7.1141 -7.1141 -7.0360 -7.0360 -6.9597 -6.9597 -6.8933 -6.8933 -5.0039 -5.0039 -4.6505 -4.6505 0.3620 0.3620 0.8275 0.8275 1.1603 1.1603 1.3654 1.3654 1.6250 1.6250 2.1214 2.1214 2.3802 2.3802 2.6088 2.6088 2.9733 2.9733 3.1918 3.1918 3.3194 3.3194 3.4893 3.4893 3.6652 3.6652 3.8214 3.8214 3.8929 3.8929 4.2022 4.2022 4.2964 4.2964 4.5029 4.5029 6.4901 6.4901 6.7509 6.7509 7.7097 7.7097 7.8744 7.8744 8.2011 8.2011 8.4647 8.4647 10.2648 10.2648 k = 0.5000-0.2524-0.3759 ( 11046 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4531 -19.4531 -19.4526 -19.4526 -16.4900 -16.4900 -16.4867 -16.4867 -16.4817 -16.4817 -16.4776 -16.4776 -16.4651 -16.4651 -16.4634 -16.4634 -8.0457 -8.0457 -7.7418 -7.7418 -7.1284 -7.1284 -7.0416 -7.0416 -6.9600 -6.9600 -6.8900 -6.8900 -4.9834 -4.9834 -4.6605 -4.6605 0.3911 0.3911 0.8102 0.8102 1.1466 1.1466 1.3845 1.3845 1.6162 1.6162 2.1243 2.1243 2.3640 2.3640 2.6043 2.6043 2.9661 2.9661 3.1815 3.1815 3.3268 3.3268 3.4926 3.4926 3.6696 3.6696 3.8248 3.8248 3.8919 3.8919 4.2073 4.2073 4.2955 4.2955 4.5067 4.5067 6.4801 6.4801 6.7569 6.7569 7.7040 7.7040 7.8808 7.8808 8.1864 8.1864 8.4809 8.4809 10.1898 10.1898 k = 0.5000-0.2388-0.3958 ( 11042 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4901 -16.4901 -16.4864 -16.4864 -16.4820 -16.4820 -16.4775 -16.4775 -16.4650 -16.4650 -16.4635 -16.4635 -8.0328 -8.0328 -7.7463 -7.7463 -7.1429 -7.1429 -7.0490 -7.0490 -6.9595 -6.9595 -6.8866 -6.8866 -4.9607 -4.9607 -4.6720 -4.6720 0.4241 0.4241 0.7926 0.7926 1.1326 1.1326 1.4023 1.4023 1.6061 1.6061 2.1265 2.1265 2.3497 2.3497 2.5996 2.5996 2.9571 2.9571 3.1679 3.1679 3.3341 3.3341 3.4973 3.4973 3.6755 3.6755 3.8237 3.8237 3.8958 3.8958 4.2079 4.2079 4.2987 4.2987 4.5093 4.5093 6.4706 6.4706 6.7621 6.7621 7.6986 7.6986 7.8890 7.8890 8.1737 8.1737 8.4959 8.4959 10.1192 10.1192 k = 0.5000-0.2253-0.4156 ( 11052 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4903 -16.4903 -16.4861 -16.4861 -16.4823 -16.4823 -16.4773 -16.4773 -16.4649 -16.4649 -16.4636 -16.4636 -8.0183 -8.0183 -7.7518 -7.7518 -7.1574 -7.1574 -7.0581 -7.0581 -6.9583 -6.9583 -6.8833 -6.8833 -4.9360 -4.9360 -4.6850 -4.6850 0.4607 0.4607 0.7751 0.7751 1.1183 1.1183 1.4180 1.4180 1.5954 1.5954 2.1281 2.1281 2.3369 2.3369 2.5955 2.5955 2.9464 2.9464 3.1507 3.1507 3.3420 3.3420 3.5021 3.5021 3.6816 3.6816 3.8218 3.8218 3.9019 3.9019 4.2051 4.2051 4.3050 4.3050 4.5106 4.5106 6.4621 6.4621 6.7664 6.7664 7.6943 7.6943 7.8990 7.8990 8.1629 8.1629 8.5097 8.5097 10.0540 10.0540 k = 0.5000-0.2117-0.4354 ( 11042 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4858 -16.4858 -16.4826 -16.4826 -16.4772 -16.4772 -16.4649 -16.4649 -16.4636 -16.4636 -8.0022 -8.0022 -7.7586 -7.7586 -7.1713 -7.1713 -7.0686 -7.0686 -6.9564 -6.9564 -6.8801 -6.8801 -4.9097 -4.9097 -4.6992 -4.6992 0.5004 0.5004 0.7583 0.7583 1.1036 1.1036 1.4306 1.4306 1.5849 1.5849 2.1291 2.1291 2.3256 2.3256 2.5929 2.5929 2.9347 2.9347 3.1302 3.1302 3.3506 3.3506 3.5058 3.5058 3.6864 3.6864 3.8219 3.8219 3.9082 3.9082 4.2001 4.2001 4.3127 4.3127 4.5103 4.5103 6.4551 6.4551 6.7695 6.7695 7.6914 7.6914 7.9108 7.9108 8.1539 8.1539 8.5223 8.5223 9.9950 9.9950 k = 0.5000-0.1982-0.4552 ( 11044 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4856 -16.4856 -16.4829 -16.4829 -16.4771 -16.4771 -16.4648 -16.4648 -16.4637 -16.4637 -7.9844 -7.9844 -7.7669 -7.7669 -7.1843 -7.1843 -7.0805 -7.0805 -6.9541 -6.9541 -6.8770 -6.8770 -4.8822 -4.8822 -4.7146 -4.7146 0.5422 0.5422 0.7432 0.7432 1.0887 1.0887 1.4387 1.4387 1.5762 1.5762 2.1295 2.1295 2.3152 2.3152 2.5921 2.5921 2.9223 2.9223 3.1075 3.1075 3.3593 3.3593 3.5075 3.5075 3.6895 3.6895 3.8254 3.8254 3.9136 3.9136 4.1942 4.1942 4.3207 4.3207 4.5085 4.5085 6.4500 6.4500 6.7717 6.7717 7.6907 7.6907 7.9243 7.9243 8.1465 8.1465 8.5338 8.5338 9.9429 9.9429 k = 0.5000-0.1847-0.4750 ( 11046 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4853 -16.4853 -16.4831 -16.4831 -16.4770 -16.4770 -16.4647 -16.4647 -16.4638 -16.4638 -7.9651 -7.9651 -7.7768 -7.7768 -7.1961 -7.1961 -7.0936 -7.0936 -6.9513 -6.9513 -6.8739 -6.8739 -4.8543 -4.8543 -4.7306 -4.7306 0.5844 0.5844 0.7315 0.7315 1.0735 1.0735 1.4407 1.4407 1.5710 1.5710 2.1293 2.1293 2.3057 2.3057 2.5930 2.5930 2.9100 2.9100 3.0834 3.0834 3.3674 3.3674 3.5066 3.5066 3.6909 3.6909 3.8318 3.8318 3.9178 3.9178 4.1880 4.1880 4.3280 4.3280 4.5051 4.5051 6.4474 6.4474 6.7727 6.7727 7.6925 7.6925 7.9392 7.9392 8.1407 8.1407 8.5442 8.5442 9.8981 9.8981 k = 0.5000-0.1711-0.4948 ( 11054 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4852 -16.4852 -16.4833 -16.4833 -16.4770 -16.4770 -16.4646 -16.4646 -16.4638 -16.4638 -7.9443 -7.9443 -7.7883 -7.7883 -7.2063 -7.2063 -7.1077 -7.1077 -6.9482 -6.9482 -6.8709 -6.8709 -4.8277 -4.8277 -4.7457 -4.7457 0.6216 0.6216 0.7283 0.7283 1.0580 1.0580 1.4360 1.4360 1.5705 1.5705 2.1282 2.1282 2.2971 2.2971 2.5953 2.5953 2.8982 2.8982 3.0590 3.0590 3.3739 3.3739 3.5034 3.5034 3.6911 3.6911 3.8399 3.8399 3.9207 3.9207 4.1819 4.1819 4.3341 4.3341 4.5004 4.5004 6.4477 6.4477 6.7728 6.7728 7.6971 7.6971 7.9554 7.9554 8.1364 8.1364 8.5535 8.5535 9.8609 9.8609 k = 0.5000-0.1576-0.5146 ( 11046 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4835 -16.4835 -16.4770 -16.4770 -16.4646 -16.4646 -16.4639 -16.4639 -7.9220 -7.9220 -7.8016 -7.8016 -7.2149 -7.2149 -7.1227 -7.1227 -6.9448 -6.9448 -6.8680 -6.8680 -4.8092 -4.8092 -4.7534 -4.7534 0.6430 0.6430 0.7443 0.7443 1.0424 1.0424 1.4250 1.4250 1.5743 1.5743 2.1259 2.1259 2.2899 2.2899 2.5984 2.5984 2.8875 2.8875 3.0351 3.0351 3.3776 3.3776 3.4989 3.4989 3.6907 3.6907 3.8481 3.8481 3.9223 3.9223 4.1760 4.1760 4.3385 4.3385 4.4947 4.4947 6.4513 6.4513 6.7721 6.7721 7.7046 7.7046 7.9723 7.9723 8.1336 8.1336 8.5619 8.5619 9.8315 9.8315 k = 0.5000-0.1440-0.5344 ( 11034 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4835 -16.4835 -16.4769 -16.4769 -16.4646 -16.4646 -16.4639 -16.4639 -7.8985 -7.8985 -7.8163 -7.8163 -7.2215 -7.2215 -7.1384 -7.1384 -6.9411 -6.9411 -6.8652 -6.8652 -4.8122 -4.8122 -4.7407 -4.7407 0.6452 0.6452 0.7821 0.7821 1.0268 1.0268 1.4097 1.4097 1.5813 1.5813 2.1219 2.1219 2.2843 2.2843 2.6016 2.6016 2.8782 2.8782 3.0121 3.0121 3.3775 3.3775 3.4944 3.4944 3.6899 3.6899 3.8551 3.8551 3.9226 3.9226 4.1706 4.1706 4.3409 4.3409 4.4885 4.4885 6.4583 6.4583 6.7707 6.7707 7.7151 7.7151 7.9895 7.9895 8.1325 8.1325 8.5693 8.5693 9.8102 9.8102 k = 0.5000-0.1305-0.5542 ( 11038 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4835 -16.4835 -16.4770 -16.4770 -16.4646 -16.4646 -16.4639 -16.4639 -7.8743 -7.8743 -7.8319 -7.8319 -7.2262 -7.2262 -7.1547 -7.1547 -6.9372 -6.9372 -6.8625 -6.8625 -4.8297 -4.8297 -4.7145 -4.7145 0.6388 0.6388 0.8306 0.8306 1.0114 1.0114 1.3916 1.3916 1.5905 1.5905 2.1160 2.1160 2.2804 2.2804 2.6044 2.6044 2.8706 2.8706 2.9908 2.9908 3.3727 3.3727 3.4909 3.4909 3.6886 3.6886 3.8600 3.8600 3.9214 3.9214 4.1657 4.1657 4.3412 4.3412 4.4825 4.4825 6.4689 6.4689 6.7688 6.7688 7.7284 7.7284 8.0064 8.0064 8.1334 8.1334 8.5757 8.5757 9.7969 9.7969 k = 0.5000-0.1169-0.5741 ( 11042 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4851 -16.4851 -16.4833 -16.4833 -16.4770 -16.4770 -16.4646 -16.4646 -16.4638 -16.4638 -7.8594 -7.8594 -7.8385 -7.8385 -7.2289 -7.2289 -7.1714 -7.1714 -6.9332 -6.9332 -6.8599 -6.8599 -4.8521 -4.8521 -4.6846 -4.6846 0.6300 0.6300 0.8822 0.8822 0.9971 0.9971 1.3719 1.3719 1.6013 1.6013 2.1080 2.1080 2.2783 2.2783 2.6065 2.6065 2.8645 2.8645 2.9717 2.9717 3.3633 3.3633 3.4889 3.4889 3.6867 3.6867 3.8627 3.8627 3.9183 3.9183 4.1611 4.1611 4.3395 4.3395 4.4772 4.4772 6.4828 6.4828 6.7668 6.7668 7.7443 7.7443 8.0223 8.0223 8.1367 8.1367 8.5812 8.5812 9.7916 9.7916 k = 0.5000-0.1034-0.5939 ( 11046 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4852 -16.4852 -16.4832 -16.4832 -16.4770 -16.4770 -16.4647 -16.4647 -16.4637 -16.4637 -7.8742 -7.8742 -7.8153 -7.8153 -7.2298 -7.2298 -7.1883 -7.1883 -6.9291 -6.9291 -6.8574 -6.8574 -4.8770 -4.8770 -4.6537 -4.6537 0.6210 0.6210 0.9297 0.9297 0.9881 0.9881 1.3516 1.3516 1.6136 1.6136 2.0983 2.0983 2.2775 2.2775 2.6078 2.6078 2.8592 2.8592 2.9555 2.9555 3.3498 3.3498 3.4881 3.4881 3.6836 3.6836 3.8635 3.8635 3.9133 3.9133 4.1565 4.1565 4.3363 4.3363 4.4728 4.4728 6.4996 6.4996 6.7652 6.7652 7.7624 7.7624 8.0367 8.0367 8.1428 8.1428 8.5856 8.5856 9.7943 9.7943 k = 0.5000-0.0899-0.6137 ( 11048 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4854 -16.4854 -16.4830 -16.4830 -16.4771 -16.4771 -16.4648 -16.4648 -16.4636 -16.4636 -7.8944 -7.8944 -7.7867 -7.7867 -7.2295 -7.2295 -7.2049 -7.2049 -6.9249 -6.9249 -6.8551 -6.8551 -4.9037 -4.9037 -4.6227 -4.6227 0.6126 0.6126 0.9478 0.9478 1.0083 1.0083 1.3311 1.3311 1.6276 1.6276 2.0871 2.0871 2.2775 2.2775 2.6082 2.6082 2.8540 2.8540 2.9431 2.9431 3.3331 3.3331 3.4880 3.4880 3.6793 3.6793 3.8625 3.8625 3.9067 3.9067 4.1511 4.1511 4.3329 4.3329 4.4694 4.4694 6.5182 6.5182 6.7645 6.7645 7.7820 7.7820 8.0494 8.0494 8.1518 8.1518 8.5891 8.5891 9.8046 9.8046 k = 0.5000-0.0763-0.6335 ( 11058 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4855 -16.4855 -16.4829 -16.4829 -16.4772 -16.4772 -16.4650 -16.4650 -16.4635 -16.4635 -7.9160 -7.9160 -7.7563 -7.7563 -7.2318 -7.2318 -7.2174 -7.2174 -6.9206 -6.9206 -6.8530 -6.8530 -4.9317 -4.9317 -4.5918 -4.5918 0.6050 0.6050 0.9386 0.9386 1.0539 1.0539 1.3111 1.3111 1.6439 1.6439 2.0750 2.0750 2.2775 2.2775 2.6081 2.6081 2.8477 2.8477 2.9351 2.9351 3.3140 3.3140 3.4879 3.4879 3.6731 3.6731 3.8592 3.8592 3.8999 3.8999 4.1443 4.1443 4.3304 4.3304 4.4666 4.4666 6.5376 6.5376 6.7659 6.7659 7.8025 7.8025 8.0606 8.0606 8.1635 8.1635 8.5916 8.5916 9.8224 9.8224 k = 0.5000-0.0628-0.6533 ( 11048 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4532 -19.4532 -19.4526 -19.4526 -16.4903 -16.4903 -16.4856 -16.4856 -16.4827 -16.4827 -16.4773 -16.4773 -16.4651 -16.4651 -16.4634 -16.4634 -7.9386 -7.9386 -7.7247 -7.7247 -7.2450 -7.2450 -7.2174 -7.2174 -6.9163 -6.9163 -6.8510 -6.8510 -4.9611 -4.9611 -4.5615 -4.5615 0.5985 0.5985 0.9252 0.9252 1.1003 1.1003 1.2924 1.2924 1.6628 1.6628 2.0625 2.0625 2.2770 2.2770 2.6076 2.6076 2.8398 2.8398 2.9319 2.9319 3.2930 3.2930 3.4875 3.4875 3.6651 3.6651 3.8526 3.8526 3.8952 3.8952 4.1357 4.1357 4.3299 4.3299 4.4639 4.4639 6.5558 6.5558 6.7705 6.7705 7.8230 7.8230 8.0713 8.0713 8.1770 8.1770 8.5932 8.5932 9.8473 9.8473 k = 0.7664 0.0766-0.2958 ( 11048 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4532 -19.4532 -19.4526 -19.4526 -16.4903 -16.4903 -16.4856 -16.4856 -16.4827 -16.4827 -16.4773 -16.4773 -16.4651 -16.4651 -16.4634 -16.4634 -7.9386 -7.9386 -7.7247 -7.7247 -7.2450 -7.2450 -7.2174 -7.2174 -6.9163 -6.9163 -6.8510 -6.8510 -4.9611 -4.9611 -4.5615 -4.5615 0.5985 0.5985 0.9252 0.9252 1.1003 1.1003 1.2924 1.2924 1.6628 1.6628 2.0625 2.0625 2.2770 2.2770 2.6076 2.6076 2.8398 2.8398 2.9319 2.9319 3.2930 3.2930 3.4875 3.4875 3.6651 3.6651 3.8526 3.8526 3.8952 3.8952 4.1357 4.1357 4.3299 4.3299 4.4639 4.4639 6.5558 6.5558 6.7705 6.7705 7.8230 7.8230 8.0713 8.0713 8.1770 8.1770 8.5932 8.5932 9.8473 9.8473 k = 0.7548 0.0846-0.2751 ( 11058 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4532 -19.4532 -19.4526 -19.4526 -16.4902 -16.4902 -16.4857 -16.4857 -16.4826 -16.4826 -16.4774 -16.4774 -16.4652 -16.4652 -16.4633 -16.4633 -7.9626 -7.9626 -7.6905 -7.6905 -7.2626 -7.2626 -7.2120 -7.2120 -6.9118 -6.9118 -6.8492 -6.8492 -4.9929 -4.9929 -4.5306 -4.5306 0.5930 0.5930 0.9108 0.9108 1.1424 1.1424 1.2758 1.2758 1.6859 1.6859 2.0495 2.0495 2.2754 2.2754 2.6070 2.6070 2.8302 2.8302 2.9331 2.9331 3.2695 3.2695 3.4866 3.4866 3.6546 3.6546 3.8420 3.8420 3.8938 3.8938 4.1251 4.1251 4.3316 4.3316 4.4610 4.4610 6.5712 6.5712 6.7807 6.7807 7.8431 7.8431 8.0829 8.0829 8.1922 8.1922 8.5939 8.5939 9.8804 9.8804 k = 0.7433 0.0927-0.2545 ( 11066 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4532 -19.4532 -19.4526 -19.4526 -16.4901 -16.4901 -16.4858 -16.4858 -16.4825 -16.4825 -16.4775 -16.4775 -16.4654 -16.4654 -16.4632 -16.4632 -7.9870 -7.9870 -7.6552 -7.6552 -7.2808 -7.2808 -7.2046 -7.2046 -6.9074 -6.9074 -6.8476 -6.8476 -5.0259 -5.0259 -4.5007 -4.5007 0.5887 0.5887 0.8971 0.8971 1.1720 1.1720 1.2670 1.2670 1.7126 1.7126 2.0370 2.0370 2.2725 2.2725 2.6063 2.6063 2.8196 2.8196 2.9381 2.9381 3.2447 3.2447 3.4845 3.4845 3.6424 3.6424 3.8287 3.8287 3.8959 3.8959 4.1139 4.1139 4.3350 4.3350 4.4580 4.4580 6.5811 6.5811 6.7977 6.7977 7.8609 7.8609 8.0958 8.0958 8.2080 8.2080 8.5938 8.5938 9.9203 9.9203 k = 0.7317 0.1007-0.2339 ( 11068 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4532 -19.4532 -19.4526 -19.4526 -16.4900 -16.4900 -16.4858 -16.4858 -16.4824 -16.4824 -16.4776 -16.4776 -16.4655 -16.4655 -16.4631 -16.4631 -8.0115 -8.0115 -7.6189 -7.6189 -7.2988 -7.2988 -7.1957 -7.1957 -6.9031 -6.9031 -6.8463 -6.8463 -5.0599 -5.0599 -4.4717 -4.4717 0.5857 0.5857 0.8844 0.8844 1.1808 1.1808 1.2732 1.2732 1.7422 1.7422 2.0256 2.0256 2.2685 2.2685 2.6052 2.6052 2.8085 2.8085 2.9463 2.9463 3.2192 3.2192 3.4806 3.4806 3.6297 3.6297 3.8137 3.8137 3.9009 3.9009 4.1036 4.1036 4.3384 4.3384 4.4556 4.4556 6.5844 6.5844 6.8221 6.8221 7.8752 7.8752 8.1100 8.1100 8.2241 8.2241 8.5934 8.5934 9.9665 9.9665 k = 0.7201 0.1088-0.2132 ( 11064 PWs) bands (ev): -19.4570 -19.4570 -19.4556 -19.4556 -19.4533 -19.4533 -19.4526 -19.4526 -16.4899 -16.4899 -16.4858 -16.4858 -16.4824 -16.4824 -16.4777 -16.4777 -16.4657 -16.4657 -16.4630 -16.4630 -8.0359 -8.0359 -7.5818 -7.5818 -7.3166 -7.3166 -7.1858 -7.1858 -6.8988 -6.8988 -6.8453 -6.8453 -5.0948 -5.0948 -4.4438 -4.4438 0.5839 0.5839 0.8731 0.8731 1.1722 1.1722 1.2908 1.2908 1.7732 1.7732 2.0158 2.0158 2.2638 2.2638 2.6037 2.6037 2.7970 2.7970 2.9569 2.9569 3.1938 3.1938 3.4738 3.4738 3.6179 3.6179 3.7976 3.7976 3.9083 3.9083 4.0954 4.0954 4.3392 4.3392 4.4553 4.4553 6.5815 6.5815 6.8527 6.8527 7.8854 7.8854 8.1247 8.1247 8.2407 8.2407 8.5930 8.5930 10.0184 10.0184 k = 0.7085 0.1168-0.1926 ( 11054 PWs) bands (ev): -19.4570 -19.4570 -19.4555 -19.4555 -19.4533 -19.4533 -19.4526 -19.4526 -16.4898 -16.4898 -16.4858 -16.4858 -16.4823 -16.4823 -16.4778 -16.4778 -16.4658 -16.4658 -16.4628 -16.4628 -8.0599 -8.0599 -7.5441 -7.5441 -7.3340 -7.3340 -7.1750 -7.1750 -6.8947 -6.8947 -6.8446 -6.8446 -5.1305 -5.1305 -4.4172 -4.4172 0.5832 0.5832 0.8634 0.8634 1.1564 1.1564 1.3098 1.3098 1.8029 1.8029 2.0084 2.0084 2.2595 2.2595 2.6014 2.6014 2.7853 2.7853 2.9696 2.9696 3.1698 3.1698 3.4630 3.4630 3.6084 3.6084 3.7807 3.7807 3.9184 3.9184 4.0905 4.0905 4.3351 4.3351 4.4588 4.4588 6.5734 6.5734 6.8881 6.8881 7.8911 7.8911 8.1378 8.1378 8.2585 8.2585 8.5936 8.5936 10.0753 10.0753 k = 0.6969 0.1248-0.1720 ( 11048 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4526 -19.4526 -16.4897 -16.4897 -16.4857 -16.4857 -16.4824 -16.4824 -16.4779 -16.4779 -16.4660 -16.4660 -16.4627 -16.4627 -8.0834 -8.0834 -7.5059 -7.5059 -7.3506 -7.3506 -7.1635 -7.1635 -6.8908 -6.8908 -6.8442 -6.8442 -5.1669 -5.1669 -4.3919 -4.3919 0.5836 0.5836 0.8556 0.8556 1.1382 1.1382 1.3262 1.3262 1.8275 1.8275 2.0045 2.0045 2.2571 2.2571 2.5983 2.5983 2.7732 2.7732 2.9830 2.9830 3.1488 3.1488 3.4482 3.4482 3.6012 3.6012 3.7636 3.7636 3.9313 3.9313 4.0893 4.0893 4.3246 4.3246 4.4670 4.4670 6.5611 6.5611 6.9268 6.9268 7.8922 7.8922 8.1469 8.1469 8.2781 8.2781 8.5960 8.5960 10.1365 10.1365 k = 0.6853 0.1329-0.1513 ( 11054 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4526 -19.4526 -16.4896 -16.4896 -16.4856 -16.4856 -16.4824 -16.4824 -16.4780 -16.4780 -16.4661 -16.4661 -16.4626 -16.4626 -8.1063 -8.1063 -7.4678 -7.4678 -7.3662 -7.3662 -7.1514 -7.1514 -6.8870 -6.8870 -6.8442 -6.8442 -5.2037 -5.2037 -4.3679 -4.3679 0.5849 0.5849 0.8500 0.8500 1.1195 1.1195 1.3390 1.3390 1.8431 1.8431 2.0046 2.0046 2.2588 2.2588 2.5944 2.5944 2.7607 2.7607 2.9952 2.9952 3.1332 3.1332 3.4305 3.4305 3.5949 3.5949 3.7476 3.7476 3.9476 3.9476 4.0917 4.0917 4.3081 4.3081 4.4793 4.4793 6.5454 6.5454 6.9675 6.9675 7.8890 7.8890 8.1499 8.1499 8.2999 8.2999 8.6014 8.6014 10.2008 10.2008 k = 0.6738 0.1409-0.1307 ( 11056 PWs) bands (ev): -19.4572 -19.4572 -19.4553 -19.4553 -19.4534 -19.4534 -19.4526 -19.4526 -16.4895 -16.4895 -16.4854 -16.4854 -16.4825 -16.4825 -16.4782 -16.4782 -16.4663 -16.4663 -16.4625 -16.4625 -8.1283 -8.1283 -7.4317 -7.4317 -7.3788 -7.3788 -7.1389 -7.1389 -6.8835 -6.8835 -6.8446 -6.8446 -5.2409 -5.2409 -4.3453 -4.3453 0.5871 0.5871 0.8467 0.8467 1.1011 1.1011 1.3483 1.3483 1.8477 1.8477 2.0070 2.0070 2.2666 2.2666 2.5901 2.5901 2.7481 2.7481 3.0028 3.0028 3.1259 3.1259 3.4114 3.4114 3.5868 3.5868 3.7344 3.7344 3.9673 3.9673 4.0972 4.0972 4.2869 4.2869 4.4944 4.4944 6.5267 6.5267 7.0095 7.0095 7.8815 7.8815 8.1457 8.1457 8.3234 8.3234 8.6107 8.6107 10.2665 10.2665 k = 0.6622 0.1490-0.1101 ( 11048 PWs) bands (ev): -19.4572 -19.4572 -19.4552 -19.4552 -19.4534 -19.4534 -19.4526 -19.4526 -16.4894 -16.4894 -16.4852 -16.4852 -16.4827 -16.4827 -16.4783 -16.4783 -16.4664 -16.4664 -16.4624 -16.4624 -8.1494 -8.1494 -7.4119 -7.4119 -7.3744 -7.3744 -7.1261 -7.1261 -6.8803 -6.8803 -6.8453 -6.8453 -5.2782 -5.2782 -4.3242 -4.3242 0.5898 0.5898 0.8460 0.8460 1.0833 1.0833 1.3544 1.3544 1.8424 1.8424 2.0078 2.0078 2.2821 2.2821 2.5859 2.5859 2.7359 2.7359 3.0026 3.0026 3.1288 3.1288 3.3927 3.3927 3.5748 3.5748 3.7258 3.7258 3.9906 3.9906 4.1051 4.1051 4.2629 4.2629 4.5113 4.5113 6.5055 6.5055 7.0519 7.0519 7.8697 7.8697 8.1346 8.1346 8.3476 8.3476 8.6243 8.6243 10.3308 10.3308 k = 0.6506 0.1570-0.0894 ( 11050 PWs) bands (ev): -19.4573 -19.4573 -19.4551 -19.4551 -19.4534 -19.4534 -19.4526 -19.4526 -16.4893 -16.4893 -16.4850 -16.4850 -16.4828 -16.4828 -16.4784 -16.4784 -16.4666 -16.4666 -16.4624 -16.4624 -8.1694 -8.1694 -7.4191 -7.4191 -7.3422 -7.3422 -7.1131 -7.1131 -6.8774 -6.8774 -6.8465 -6.8465 -5.3154 -5.3154 -4.3045 -4.3045 0.5930 0.5930 0.8480 0.8480 1.0667 1.0667 1.3576 1.3576 1.8298 1.8298 2.0035 2.0035 2.3052 2.3052 2.5827 2.5827 2.7249 2.7249 2.9953 2.9953 3.1396 3.1396 3.3759 3.3759 3.5584 3.5584 3.7223 3.7223 4.0165 4.0165 4.1145 4.1145 4.2385 4.2385 4.5291 4.5291 6.4820 6.4820 7.0944 7.0944 7.8536 7.8536 8.1175 8.1175 8.3716 8.3716 8.6421 8.6421 10.3887 10.3887 k = 0.6390 0.1650-0.0688 ( 11054 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4526 -19.4526 -16.4892 -16.4892 -16.4848 -16.4848 -16.4830 -16.4830 -16.4785 -16.4785 -16.4667 -16.4667 -16.4623 -16.4623 -8.1883 -8.1883 -7.4311 -7.4311 -7.3047 -7.3047 -7.1000 -7.1000 -6.8748 -6.8748 -6.8480 -6.8480 -5.3523 -5.3523 -4.2863 -4.2863 0.5965 0.5965 0.8526 0.8526 1.0516 1.0516 1.3582 1.3582 1.8120 1.8120 1.9929 1.9929 2.3344 2.3344 2.5810 2.5810 2.7160 2.7160 2.9836 2.9836 3.1531 3.1531 3.3617 3.3617 3.5391 3.5391 3.7228 3.7228 4.0422 4.0422 4.1247 4.1247 4.2178 4.2178 4.5472 4.5472 6.4562 6.4562 7.1364 7.1364 7.8333 7.8333 8.0959 8.0959 8.3946 8.3946 8.6635 8.6635 10.4344 10.4344 k = 0.6274 0.1731-0.0482 ( 11052 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4526 -19.4526 -16.4890 -16.4890 -16.4846 -16.4846 -16.4833 -16.4833 -16.4786 -16.4786 -16.4669 -16.4669 -16.4622 -16.4622 -8.2059 -8.2059 -7.4433 -7.4433 -7.2669 -7.2669 -7.0871 -7.0871 -6.8727 -6.8727 -6.8499 -6.8499 -5.3884 -5.3884 -4.2696 -4.2696 0.6000 0.6000 0.8600 0.8600 1.0381 1.0381 1.3565 1.3565 1.7906 1.7906 1.9766 1.9766 2.3673 2.3673 2.5812 2.5812 2.7102 2.7102 2.9698 2.9698 3.1643 3.1643 3.3501 3.3501 3.5200 3.5200 3.7258 3.7258 4.0587 4.0587 4.1386 4.1386 4.2067 4.2067 4.5650 4.5650 6.4284 6.4284 7.1776 7.1776 7.8088 7.8088 8.0714 8.0714 8.4164 8.4164 8.6874 8.6874 10.4641 10.4641 k = 0.6158 0.1811-0.0275 ( 11048 PWs) bands (ev): -19.4574 -19.4574 -19.4549 -19.4549 -19.4535 -19.4535 -19.4527 -19.4527 -16.4889 -16.4889 -16.4843 -16.4843 -16.4835 -16.4835 -16.4787 -16.4787 -16.4670 -16.4670 -16.4621 -16.4621 -8.2223 -8.2223 -7.4548 -7.4548 -7.2297 -7.2297 -7.0743 -7.0743 -6.8710 -6.8710 -6.8522 -6.8522 -5.4237 -5.4237 -4.2544 -4.2544 0.6035 0.6035 0.8700 0.8700 1.0267 1.0267 1.3525 1.3525 1.7667 1.7667 1.9558 1.9558 2.4017 2.4017 2.5833 2.5833 2.7085 2.7085 2.9554 2.9554 3.1702 3.1702 3.3392 3.3392 3.5050 3.5050 3.7297 3.7297 4.0551 4.0551 4.1630 4.1630 4.2097 4.2097 4.5823 4.5823 6.3988 6.3988 7.2178 7.2178 7.7804 7.7804 8.0457 8.0457 8.4367 8.4367 8.7125 8.7125 10.4781 10.4781 k = 0.6043 0.1892-0.0069 ( 11042 PWs) bands (ev): -19.4574 -19.4574 -19.4548 -19.4548 -19.4536 -19.4536 -19.4527 -19.4527 -16.4887 -16.4887 -16.4841 -16.4841 -16.4837 -16.4837 -16.4788 -16.4788 -16.4671 -16.4671 -16.4621 -16.4621 -8.2372 -8.2372 -7.4654 -7.4654 -7.1935 -7.1935 -7.0618 -7.0618 -6.8698 -6.8698 -6.8548 -6.8548 -5.4576 -5.4576 -4.2407 -4.2407 0.6067 0.6067 0.8822 0.8822 1.0175 1.0175 1.3465 1.3465 1.7410 1.7410 1.9321 1.9321 2.4359 2.4359 2.5867 2.5867 2.7121 2.7121 2.9416 2.9416 3.1693 3.1693 3.3257 3.3257 3.4977 3.4977 3.7333 3.7333 4.0356 4.0356 4.1917 4.1917 4.2286 4.2286 4.5988 4.5988 6.3676 6.3676 7.2566 7.2566 7.7490 7.7490 8.0199 8.0199 8.4554 8.4554 8.7377 8.7377 10.4788 10.4788 k = 0.5927 0.1972 0.0137 ( 11032 PWs) bands (ev): -19.4574 -19.4574 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4886 -16.4886 -16.4841 -16.4841 -16.4837 -16.4837 -16.4789 -16.4789 -16.4672 -16.4672 -16.4620 -16.4620 -8.2507 -8.2507 -7.4751 -7.4751 -7.1589 -7.1589 -7.0497 -7.0497 -6.8692 -6.8692 -6.8577 -6.8577 -5.4897 -5.4897 -4.2285 -4.2285 0.6097 0.6097 0.8962 0.8962 1.0109 1.0109 1.3386 1.3386 1.7142 1.7142 1.9070 1.9070 2.4684 2.4684 2.5904 2.5904 2.7219 2.7219 2.9292 2.9292 3.1621 3.1621 3.3069 3.3069 3.4994 3.4994 3.7357 3.7357 4.0099 4.0099 4.2130 4.2130 4.2650 4.2650 4.6144 4.6144 6.3353 6.3353 7.2937 7.2937 7.7155 7.7155 7.9950 7.9950 8.4725 8.4725 8.7621 8.7621 10.4695 10.4695 k = 0.5811 0.2053 0.0343 ( 11034 PWs) bands (ev): -19.4575 -19.4575 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4884 -16.4884 -16.4844 -16.4844 -16.4835 -16.4835 -16.4790 -16.4790 -16.4673 -16.4673 -16.4620 -16.4620 -8.2628 -8.2628 -7.4838 -7.4838 -7.1262 -7.1262 -7.0382 -7.0382 -6.8694 -6.8694 -6.8607 -6.8607 -5.5197 -5.5197 -4.2177 -4.2177 0.6124 0.6124 0.9111 0.9111 1.0073 1.0073 1.3289 1.3289 1.6870 1.6870 1.8820 1.8820 2.4981 2.4981 2.5939 2.5939 2.7382 2.7382 2.9193 2.9193 3.1494 3.1494 3.2833 3.2833 3.5085 3.5085 3.7359 3.7359 3.9838 3.9838 4.2296 4.2296 4.3099 4.3099 4.6289 4.6289 6.3023 6.3023 7.3289 7.3289 7.6812 7.6812 7.9714 7.9714 8.4880 8.4880 8.7847 8.7847 10.4538 10.4538 k = 0.5695 0.2133 0.0550 ( 11026 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4536 -19.4536 -19.4527 -19.4527 -16.4882 -16.4882 -16.4847 -16.4847 -16.4832 -16.4832 -16.4792 -16.4792 -16.4674 -16.4674 -16.4619 -16.4619 -8.2733 -8.2733 -7.4914 -7.4914 -7.0961 -7.0961 -7.0272 -7.0272 -6.8703 -6.8703 -6.8638 -6.8638 -5.5471 -5.5471 -4.2084 -4.2084 0.6146 0.6146 0.9258 0.9258 1.0074 1.0074 1.3178 1.3178 1.6601 1.6601 1.8584 1.8584 2.5240 2.5240 2.5970 2.5970 2.7604 2.7604 2.9131 2.9131 3.1317 3.1317 3.2566 3.2566 3.5218 3.5218 3.7333 3.7333 3.9601 3.9601 4.2444 4.2444 4.3564 4.3564 4.6425 4.6425 6.2695 6.2695 7.3619 7.3619 7.6476 7.6476 7.9497 7.9497 8.5016 8.5016 8.8050 8.8050 10.4347 10.4347 k = 0.5579 0.2213 0.0756 ( 11020 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4537 -19.4537 -19.4527 -19.4527 -16.4879 -16.4879 -16.4850 -16.4850 -16.4830 -16.4830 -16.4793 -16.4793 -16.4675 -16.4675 -16.4619 -16.4619 -8.2823 -8.2823 -7.4979 -7.4979 -7.0690 -7.0690 -7.0170 -7.0170 -6.8722 -6.8722 -6.8666 -6.8666 -5.5714 -5.5714 -4.2006 -4.2006 0.6164 0.6164 0.9387 0.9387 1.0117 1.0117 1.3055 1.3055 1.6345 1.6345 1.8372 1.8372 2.5455 2.5455 2.5997 2.5997 2.7872 2.7872 2.9114 2.9114 3.1097 3.1097 3.2289 3.2289 3.5367 3.5367 3.7277 3.7277 3.9405 3.9405 4.2577 4.2577 4.4010 4.4010 4.6550 4.6550 6.2379 6.2379 7.3922 7.3922 7.6158 7.6158 7.9300 7.9300 8.5133 8.5133 8.8226 8.8226 10.4147 10.4147 k = 0.5463 0.2294 0.0962 ( 11024 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4877 -16.4877 -16.4852 -16.4852 -16.4827 -16.4827 -16.4794 -16.4794 -16.4675 -16.4675 -16.4619 -16.4619 -8.2896 -8.2896 -7.5032 -7.5032 -7.0457 -7.0457 -7.0075 -7.0075 -6.8748 -6.8748 -6.8691 -6.8691 -5.5921 -5.5921 -4.1942 -4.1942 0.6178 0.6178 0.9484 0.9484 1.0205 1.0205 1.2927 1.2927 1.6112 1.6112 1.8192 1.8192 2.5623 2.5623 2.6021 2.6021 2.8171 2.8171 2.9147 2.9147 3.0838 3.0838 3.2016 3.2016 3.5514 3.5514 3.7195 3.7195 3.9257 3.9257 4.2692 4.2692 4.4410 4.4410 4.6665 4.6665 6.2089 6.2089 7.4196 7.4196 7.5870 7.5870 7.9128 7.9128 8.5230 8.5230 8.8372 8.8372 10.3960 10.3960 k = 0.5348 0.2374 0.1169 ( 11042 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4875 -16.4875 -16.4855 -16.4855 -16.4825 -16.4825 -16.4795 -16.4795 -16.4676 -16.4676 -16.4618 -16.4618 -8.2954 -8.2954 -7.5074 -7.5074 -7.0272 -7.0272 -6.9986 -6.9986 -6.8777 -6.8777 -6.8714 -6.8714 -5.6088 -5.6088 -4.1892 -4.1892 0.6189 0.6189 0.9548 0.9548 1.0322 1.0322 1.2801 1.2801 1.5913 1.5913 1.8048 1.8048 2.5746 2.5746 2.6040 2.6040 2.8487 2.8487 2.9225 2.9225 3.0551 3.0551 3.1763 3.1763 3.5648 3.5648 3.7097 3.7097 3.9155 3.9155 4.2785 4.2785 4.4742 4.4742 4.6767 4.6767 6.1839 6.1839 7.4438 7.4438 7.5619 7.5619 7.8984 7.8984 8.5307 8.5307 8.8487 8.8487 10.3799 10.3799 k = 0.5232 0.2455 0.1375 ( 11040 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4873 -16.4873 -16.4858 -16.4858 -16.4824 -16.4824 -16.4796 -16.4796 -16.4676 -16.4676 -16.4618 -16.4618 -8.2995 -8.2995 -7.5104 -7.5104 -7.0145 -7.0145 -6.9904 -6.9904 -6.8805 -6.8805 -6.8734 -6.8734 -5.6210 -5.6210 -4.1857 -4.1857 0.6196 0.6196 0.9587 0.9587 1.0441 1.0441 1.2690 1.2690 1.5760 1.5760 1.7945 1.7945 2.5833 2.5833 2.6048 2.6048 2.8807 2.8807 2.9329 2.9329 3.0247 3.0247 3.1545 3.1545 3.5758 3.5758 3.7004 3.7004 3.9090 3.9090 4.2855 4.2855 4.4988 4.4988 4.6850 4.6850 6.1646 6.1646 7.4646 7.4646 7.5406 7.5406 7.8875 7.8875 8.5362 8.5362 8.8569 8.8569 10.3677 10.3677 k = 0.5116 0.2535 0.1581 ( 11054 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4871 -16.4871 -16.4860 -16.4860 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3020 -8.3020 -7.5122 -7.5122 -7.0074 -7.0074 -6.9842 -6.9842 -6.8825 -6.8825 -6.8749 -6.8749 -5.6285 -5.6285 -4.1836 -4.1836 0.6200 0.6200 0.9608 0.9608 1.0530 1.0530 1.2612 1.2612 1.5664 1.5664 1.7882 1.7882 2.5887 2.5887 2.6047 2.6047 2.9109 2.9109 2.9422 2.9422 2.9952 2.9952 3.1391 3.1391 3.5833 3.5833 3.6934 3.6934 3.9056 3.9056 4.2897 4.2897 4.5138 4.5138 4.6907 4.6907 6.1523 6.1523 7.4817 7.4817 7.5233 7.5233 7.8806 7.8806 8.5395 8.5395 8.8618 8.8618 10.3600 10.3600 k = 0.5000 0.2616 0.1788 ( 11086 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3028 -8.3028 -7.5128 -7.5128 -7.0052 -7.0052 -6.9819 -6.9819 -6.8833 -6.8833 -6.8754 -6.8754 -5.6310 -5.6310 -4.1829 -4.1829 0.6201 0.6201 0.9615 0.9615 1.0563 1.0563 1.2583 1.2583 1.5631 1.5631 1.7861 1.7861 2.5907 2.5907 2.6044 2.6044 2.9283 2.9283 2.9460 2.9460 2.9780 2.9780 3.1334 3.1334 3.5860 3.5860 3.6908 3.6908 3.9045 3.9045 4.2912 4.2912 4.5188 4.5188 4.6927 4.6927 6.1481 6.1481 7.4909 7.4909 7.5140 7.5140 7.8783 7.8783 8.5406 8.5406 8.8634 8.8634 10.3575 10.3575 k = 0.5000 0.2616 0.1788 ( 11086 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3028 -8.3028 -7.5128 -7.5128 -7.0052 -7.0052 -6.9819 -6.9819 -6.8833 -6.8833 -6.8754 -6.8754 -5.6310 -5.6310 -4.1829 -4.1829 0.6201 0.6201 0.9615 0.9615 1.0563 1.0563 1.2583 1.2583 1.5631 1.5631 1.7861 1.7861 2.5907 2.5907 2.6044 2.6044 2.9283 2.9283 2.9460 2.9460 2.9780 2.9780 3.1334 3.1334 3.5860 3.5860 3.6908 3.6908 3.9045 3.9045 4.2912 4.2912 4.5188 4.5188 4.6927 4.6927 6.1481 6.1481 7.4909 7.4909 7.5140 7.5140 7.8783 7.8783 8.5406 8.5406 8.8634 8.8634 10.3575 10.3575 k = 0.4792 0.2507 0.1713 ( 11077 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3041 -8.3041 -7.5107 -7.5107 -7.0051 -7.0051 -6.9818 -6.9818 -6.8833 -6.8833 -6.8754 -6.8754 -5.6310 -5.6310 -4.1844 -4.1844 0.6187 0.6187 0.9587 0.9587 1.0544 1.0544 1.2597 1.2597 1.5659 1.5659 1.7887 1.7887 2.5612 2.5612 2.6308 2.6308 2.8752 2.8752 2.9712 2.9712 3.0015 3.0015 3.1446 3.1446 3.5832 3.5832 3.6946 3.6946 3.9065 3.9065 4.2913 4.2913 4.5185 4.5185 4.6940 4.6940 6.1459 6.1459 7.4827 7.4827 7.5195 7.5195 7.8750 7.8750 8.5401 8.5401 8.8619 8.8619 10.3582 10.3582 k = 0.4583 0.2398 0.1639 ( 11053 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3080 -8.3080 -7.5044 -7.5044 -7.0050 -7.0050 -6.9816 -6.9816 -6.8834 -6.8834 -6.8755 -6.8755 -5.6309 -5.6309 -4.1889 -4.1889 0.6143 0.6143 0.9507 0.9507 1.0487 1.0487 1.2638 1.2638 1.5737 1.5737 1.7961 1.7961 2.5249 2.5249 2.6579 2.6579 2.8178 2.8178 2.9569 2.9569 3.0664 3.0664 3.1728 3.1728 3.5762 3.5762 3.7048 3.7048 3.9125 3.9125 4.2917 4.2917 4.5174 4.5174 4.6977 4.6977 6.1393 6.1393 7.4659 7.4659 7.5279 7.5279 7.8654 7.8654 8.5384 8.5384 8.8574 8.8574 10.3605 10.3605 k = 0.4375 0.2289 0.1564 ( 11053 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3142 -8.3142 -7.4940 -7.4940 -7.0047 -7.0047 -6.9813 -6.9813 -6.8835 -6.8835 -6.8757 -6.8757 -5.6308 -5.6308 -4.1963 -4.1963 0.6073 0.6073 0.9381 0.9381 1.0398 1.0398 1.2703 1.2703 1.5856 1.5856 1.8071 1.8071 2.4891 2.4891 2.6777 2.6777 2.7648 2.7648 2.9438 2.9438 3.1322 3.1322 3.2093 3.2093 3.5677 3.5677 3.7190 3.7190 3.9227 3.9227 4.2924 4.2924 4.5157 4.5157 4.7037 4.7037 6.1285 6.1285 7.4453 7.4453 7.5349 7.5349 7.8499 7.8499 8.5355 8.5355 8.8499 8.8499 10.3643 10.3643 k = 0.4167 0.2180 0.1490 ( 11023 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3225 -8.3225 -7.4800 -7.4800 -7.0043 -7.0043 -6.9809 -6.9809 -6.8837 -6.8837 -6.8759 -6.8759 -5.6306 -5.6306 -4.2065 -4.2065 0.5980 0.5980 0.9219 0.9219 1.0282 1.0282 1.2787 1.2787 1.5996 1.5996 1.8201 1.8201 2.4561 2.4561 2.6889 2.6889 2.7177 2.7177 2.9369 2.9369 3.1978 3.1978 3.2489 3.2489 3.5601 3.5601 3.7354 3.7354 3.9376 3.9376 4.2933 4.2933 4.5133 4.5133 4.7112 4.7112 6.1138 6.1138 7.4219 7.4219 7.5399 7.5399 7.8291 7.8291 8.5311 8.5311 8.8392 8.8392 10.3697 10.3697 k = 0.3958 0.2071 0.1415 ( 11041 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3327 -8.3327 -7.4627 -7.4627 -7.0037 -7.0037 -6.9804 -6.9804 -6.8840 -6.8840 -6.8761 -6.8761 -5.6304 -5.6304 -4.2194 -4.2194 0.5868 0.5868 0.9032 0.9032 1.0146 1.0146 1.2885 1.2885 1.6140 1.6140 1.8327 1.8327 2.4280 2.4280 2.6780 2.6780 2.6917 2.6917 2.9370 2.9370 3.2624 3.2624 3.2890 3.2890 3.5552 3.5552 3.7526 3.7526 3.9575 3.9575 4.2944 4.2944 4.5104 4.5104 4.7196 4.7196 6.0956 6.0956 7.3961 7.3961 7.5431 7.5431 7.8040 7.8040 8.5250 8.5250 8.8254 8.8254 10.3767 10.3767 k = 0.3750 0.1962 0.1341 ( 11019 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3443 -8.3443 -7.4425 -7.4425 -7.0031 -7.0031 -6.9798 -6.9798 -6.8843 -6.8843 -6.8765 -6.8765 -5.6301 -5.6301 -4.2347 -4.2347 0.5743 0.5743 0.8829 0.8829 0.9997 0.9997 1.2992 1.2992 1.6265 1.6265 1.8425 1.8425 2.4069 2.4069 2.6473 2.6473 2.6886 2.6886 2.9426 2.9426 3.3253 3.3253 3.3279 3.3279 3.5539 3.5539 3.7699 3.7699 3.9827 3.9827 4.2956 4.2956 4.5069 4.5069 4.7282 4.7282 6.0745 6.0745 7.3682 7.3682 7.5446 7.5446 7.7757 7.7757 8.5167 8.5167 8.8084 8.8084 10.3853 10.3853 k = 0.3542 0.1853 0.1266 ( 11022 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3569 -8.3569 -7.4199 -7.4199 -7.0024 -7.0024 -6.9791 -6.9791 -6.8847 -6.8847 -6.8769 -6.8769 -5.6298 -5.6298 -4.2523 -4.2523 0.5607 0.5607 0.8619 0.8619 0.9839 0.9839 1.3101 1.3101 1.6353 1.6353 1.8469 1.8469 2.3944 2.3944 2.6269 2.6269 2.6827 2.6827 2.9514 2.9514 3.3646 3.3646 3.3856 3.3856 3.5570 3.5570 3.7869 3.7869 4.0129 4.0129 4.2968 4.2968 4.5030 4.5030 4.7361 4.7361 6.0510 6.0510 7.3388 7.3388 7.5450 7.5450 7.7453 7.7453 8.5061 8.5061 8.7882 8.7882 10.3954 10.3954 k = 0.3333 0.1744 0.1192 ( 11016 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3704 -8.3704 -7.3953 -7.3953 -7.0016 -7.0016 -6.9783 -6.9783 -6.8851 -6.8851 -6.8773 -6.8773 -5.6295 -5.6295 -4.2718 -4.2718 0.5467 0.5467 0.8409 0.8409 0.9678 0.9678 1.3208 1.3208 1.6387 1.6387 1.8445 1.8445 2.3907 2.3907 2.6179 2.6179 2.6767 2.6767 2.9624 2.9624 3.3984 3.3984 3.4427 3.4427 3.5643 3.5643 3.8036 3.8036 4.0474 4.0474 4.2978 4.2978 4.4989 4.4989 4.7426 4.7426 6.0260 6.0260 7.3081 7.3081 7.5445 7.5445 7.7142 7.7142 8.4926 8.4926 8.7649 8.7649 10.4071 10.4071 k = 0.3125 0.1635 0.1117 ( 11025 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.3842 -8.3842 -7.3693 -7.3693 -7.0008 -7.0008 -6.9774 -6.9774 -6.8856 -6.8856 -6.8778 -6.8778 -5.6291 -5.6291 -4.2930 -4.2930 0.5324 0.5324 0.8204 0.8204 0.9518 0.9518 1.3307 1.3307 1.6359 1.6359 1.8351 1.8351 2.3938 2.3938 2.6210 2.6210 2.6735 2.6735 2.9754 2.9754 3.4285 3.4285 3.4956 3.4956 3.5758 3.5758 3.8203 3.8203 4.0849 4.0849 4.2987 4.2987 4.4946 4.4946 4.7467 4.7467 6.0005 6.0005 7.2763 7.2763 7.5436 7.5436 7.6836 7.6836 8.4761 8.4761 8.7385 8.7385 10.4203 10.4203 k = 0.2917 0.1526 0.1043 ( 11019 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.3982 -8.3982 -7.3423 -7.3423 -6.9999 -6.9999 -6.9765 -6.9765 -6.8861 -6.8861 -6.8783 -6.8783 -5.6287 -5.6287 -4.3155 -4.3155 0.5183 0.5183 0.8008 0.8008 0.9362 0.9362 1.3394 1.3394 1.6267 1.6267 1.8202 1.8202 2.3996 2.3996 2.6359 2.6359 2.6764 2.6764 2.9912 2.9912 3.4540 3.4540 3.5437 3.5437 3.5913 3.5913 3.8375 3.8375 4.1238 4.1238 4.2991 4.2991 4.4902 4.4902 4.7480 4.7480 5.9756 5.9756 7.2438 7.2438 7.5427 7.5427 7.6547 7.6547 8.4562 8.4562 8.7093 8.7093 10.4349 10.4349 k = 0.2708 0.1417 0.0968 ( 11028 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4121 -8.4121 -7.3146 -7.3146 -6.9989 -6.9989 -6.9755 -6.9755 -6.8866 -6.8866 -6.8788 -6.8788 -5.6283 -5.6283 -4.3389 -4.3389 0.5046 0.5046 0.7825 0.7825 0.9212 0.9212 1.3464 1.3464 1.6115 1.6115 1.8017 1.8017 2.4024 2.4024 2.6620 2.6620 2.6889 2.6889 3.0106 3.0106 3.4742 3.4742 3.5861 3.5861 3.6103 3.6103 3.8553 3.8553 4.1624 4.1624 4.2991 4.2991 4.4860 4.4860 4.7456 4.7456 5.9527 5.9527 7.2107 7.2107 7.5423 7.5423 7.6288 7.6288 8.4327 8.4327 8.6776 8.6776 10.4507 10.4507 k = 0.2500 0.1308 0.0894 ( 10998 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4257 -8.4257 -7.2869 -7.2869 -6.9979 -6.9979 -6.9745 -6.9745 -6.8871 -6.8871 -6.8794 -6.8794 -5.6279 -5.6279 -4.3630 -4.3630 0.4916 0.4916 0.7655 0.7655 0.9069 0.9069 1.3513 1.3513 1.5915 1.5915 1.7822 1.7822 2.3979 2.3979 2.6980 2.6980 2.7136 2.7136 3.0342 3.0342 3.4888 3.4888 3.6223 3.6223 3.6322 3.6322 3.8735 3.8735 4.1992 4.1992 4.2986 4.2986 4.4820 4.4820 4.7393 4.7393 5.9329 5.9329 7.1769 7.1769 7.5429 7.5429 7.6070 7.6070 8.4054 8.4054 8.6438 8.6438 10.4674 10.4674 k = 0.2292 0.1199 0.0819 ( 10977 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4387 -8.4387 -7.2594 -7.2594 -6.9969 -6.9969 -6.9735 -6.9735 -6.8877 -6.8877 -6.8800 -6.8800 -5.6275 -5.6275 -4.3873 -4.3873 0.4793 0.4793 0.7501 0.7501 0.8935 0.8935 1.3536 1.3536 1.5680 1.5680 1.7636 1.7636 2.3845 2.3845 2.7423 2.7423 2.7502 2.7502 3.0622 3.0622 3.4983 3.4983 3.6514 3.6514 3.6562 3.6562 3.8914 3.8914 4.2327 4.2327 4.2974 4.2974 4.4783 4.4783 4.7288 4.7288 5.9178 5.9178 7.1424 7.1424 7.5447 7.5447 7.5903 7.5903 8.3741 8.3741 8.6082 8.6082 10.4845 10.4845 k = 0.2083 0.1090 0.0745 ( 10962 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4511 -8.4511 -7.2326 -7.2326 -6.9959 -6.9959 -6.9725 -6.9725 -6.8882 -6.8882 -6.8806 -6.8806 -5.6271 -5.6271 -4.4113 -4.4113 0.4679 0.4679 0.7364 0.7364 0.8812 0.8812 1.3530 1.3530 1.5422 1.5422 1.7479 1.7479 2.3635 2.3635 2.7934 2.7934 2.7963 2.7963 3.0947 3.0947 3.5030 3.5030 3.6730 3.6730 3.6818 3.6818 3.9077 3.9077 4.2620 4.2620 4.2958 4.2958 4.4751 4.4751 4.7139 4.7139 5.9083 5.9083 7.1071 7.1071 7.5482 7.5482 7.5795 7.5795 8.3389 8.3389 8.5716 8.5716 10.5017 10.5017 k = 0.1875 0.0981 0.0670 ( 10968 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4626 -8.4626 -7.2068 -7.2068 -6.9949 -6.9949 -6.9714 -6.9714 -6.8888 -6.8888 -6.8812 -6.8812 -5.6267 -5.6267 -4.4347 -4.4347 0.4576 0.4576 0.7244 0.7244 0.8699 0.8699 1.3496 1.3496 1.5154 1.5154 1.7362 1.7362 2.3371 2.3371 2.8489 2.8489 2.8500 2.8500 3.1312 3.1312 3.5039 3.5039 3.6865 3.6865 3.7083 3.7083 3.9214 3.9214 4.2864 4.2864 4.2938 4.2938 4.4722 4.4722 4.6951 4.6951 5.9053 5.9053 7.0711 7.0711 7.5534 7.5534 7.5753 7.5753 8.2998 8.2998 8.5344 8.5344 10.5181 10.5181 k = 0.1667 0.0872 0.0596 ( 10980 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4732 -8.4732 -7.1825 -7.1825 -6.9940 -6.9940 -6.9705 -6.9705 -6.8893 -6.8893 -6.8818 -6.8818 -5.6263 -5.6263 -4.4571 -4.4571 0.4484 0.4484 0.7140 0.7140 0.8598 0.8598 1.3434 1.3434 1.4887 1.4887 1.7292 1.7292 2.3071 2.3071 2.9052 2.9052 2.9106 2.9106 3.1711 3.1711 3.5014 3.5014 3.6916 3.6916 3.7349 3.7349 3.9315 3.9315 4.2917 4.2917 4.3050 4.3050 4.4696 4.4696 4.6729 4.6729 5.9090 5.9090 7.0346 7.0346 7.5604 7.5604 7.5781 7.5781 8.2569 8.2569 8.4975 8.4975 10.5333 10.5333 k = 0.1458 0.0763 0.0521 ( 10971 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4827 -8.4827 -7.1601 -7.1601 -6.9931 -6.9931 -6.9696 -6.9696 -6.8898 -6.8898 -6.8823 -6.8823 -5.6260 -5.6260 -4.4780 -4.4780 0.4403 0.4403 0.7052 0.7052 0.8508 0.8508 1.3350 1.3350 1.4632 1.4632 1.7269 1.7269 2.2755 2.2755 2.9627 2.9627 2.9740 2.9740 3.2139 3.2139 3.4963 3.4963 3.6881 3.6881 3.7598 3.7598 3.9385 3.9385 4.2898 4.2898 4.3172 4.3172 4.4673 4.4673 4.6490 4.6490 5.9192 5.9192 6.9979 6.9979 7.5688 7.5688 7.5881 7.5881 8.2108 8.2108 8.4615 8.4615 10.5464 10.5464 k = 0.1250 0.0654 0.0447 ( 10959 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.4912 -8.4912 -7.1398 -7.1398 -6.9923 -6.9923 -6.9687 -6.9687 -6.8902 -6.8902 -6.8828 -6.8828 -5.6257 -5.6257 -4.4971 -4.4971 0.4333 0.4333 0.6979 0.6979 0.8430 0.8430 1.3252 1.3252 1.4395 1.4395 1.7289 1.7289 2.2436 2.2436 3.0193 3.0193 3.0391 3.0391 3.2587 3.2587 3.4897 3.4897 3.6760 3.6760 3.7795 3.7795 3.9451 3.9451 4.2881 4.2881 4.3217 4.3217 4.4652 4.4652 4.6252 4.6252 5.9348 5.9348 6.9615 6.9615 7.5784 7.5784 7.6054 7.6054 8.1617 8.1617 8.4275 8.4275 10.5571 10.5571 k = 0.1042 0.0545 0.0372 ( 10992 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.4984 -8.4984 -7.1220 -7.1220 -6.9915 -6.9915 -6.9680 -6.9680 -6.8906 -6.8906 -6.8833 -6.8833 -5.6254 -5.6254 -4.5140 -4.5140 0.4274 0.4274 0.6920 0.6920 0.8364 0.8364 1.3150 1.3150 1.4183 1.4183 1.7342 1.7342 2.2128 2.2128 3.0729 3.0729 3.1049 3.1049 3.3039 3.3039 3.4831 3.4831 3.6559 3.6559 3.7879 3.7879 3.9568 3.9568 4.2868 4.2868 4.3168 4.3168 4.4633 4.4633 4.6044 4.6044 5.9543 5.9543 6.9266 6.9266 7.5885 7.5885 7.6295 7.6295 8.1102 8.1102 8.3962 8.3962 10.5649 10.5649 k = 0.0833 0.0436 0.0298 ( 10983 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.5044 -8.5044 -7.1070 -7.1070 -6.9909 -6.9909 -6.9673 -6.9673 -6.8910 -6.8910 -6.8837 -6.8837 -5.6252 -5.6252 -4.5283 -4.5283 0.4226 0.4226 0.6874 0.6874 0.8310 0.8310 1.3053 1.3053 1.4002 1.4002 1.7417 1.7417 2.1845 2.1845 3.1218 3.1218 3.1702 3.1702 3.3456 3.3456 3.4806 3.4806 3.6282 3.6282 3.7805 3.7805 3.9788 3.9788 4.2860 4.2860 4.3013 4.3013 4.4617 4.4617 4.5886 4.5886 5.9755 5.9755 6.8942 6.8942 7.5984 7.5984 7.6601 7.6601 8.0571 8.0571 8.3688 8.3688 10.5701 10.5701 k = 0.0625 0.0327 0.0223 ( 10989 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5091 -8.5091 -7.0951 -7.0951 -6.9904 -6.9904 -6.9668 -6.9668 -6.8912 -6.8912 -6.8840 -6.8840 -5.6250 -5.6250 -4.5397 -4.5397 0.4190 0.4190 0.6840 0.6840 0.8269 0.8269 1.2969 1.2969 1.3857 1.3857 1.7499 1.7499 2.1601 2.1601 3.1642 3.1642 3.2335 3.2335 3.3752 3.3752 3.4906 3.4906 3.5942 3.5942 3.7580 3.7580 4.0107 4.0107 4.2755 4.2755 4.2855 4.2855 4.4603 4.4603 4.5785 4.5785 5.9960 5.9960 6.8662 6.8662 7.6073 7.6073 7.6963 7.6963 8.0032 8.0032 8.3460 8.3460 10.5731 10.5731 k = 0.0417 0.0218 0.0149 ( 10989 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5125 -8.5125 -7.0864 -7.0864 -6.9901 -6.9901 -6.9664 -6.9664 -6.8914 -6.8914 -6.8843 -6.8843 -5.6248 -5.6248 -4.5481 -4.5481 0.4164 0.4164 0.6817 0.6817 0.8239 0.8239 1.2904 1.2904 1.3751 1.3751 1.7575 1.7575 2.1411 2.1411 3.1981 3.1981 3.2925 3.2925 3.3856 3.3856 3.5198 3.5198 3.5562 3.5562 3.7251 3.7251 4.0486 4.0486 4.2419 4.2419 4.2853 4.2853 4.4593 4.4593 4.5732 4.5732 6.0131 6.0131 6.8442 6.8442 7.6145 7.6145 7.7370 7.7370 7.9498 7.9498 8.3290 8.3290 10.5746 10.5746 k = 0.0208 0.0109 0.0074 ( 10986 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5145 -8.5145 -7.0811 -7.0811 -6.9899 -6.9899 -6.9662 -6.9662 -6.8916 -6.8916 -6.8844 -6.8844 -5.6247 -5.6247 -4.5532 -4.5532 0.4148 0.4148 0.6803 0.6803 0.8222 0.8222 1.2863 1.2863 1.3686 1.3686 1.7628 1.7628 2.1289 2.1289 3.2209 3.2209 3.3417 3.3417 3.3846 3.3846 3.5195 3.5195 3.5580 3.5580 3.6886 3.6886 4.0869 4.0869 4.2061 4.2061 4.2853 4.2853 4.4586 4.4586 4.5709 4.5709 6.0245 6.0245 6.8301 6.8301 7.6191 7.6191 7.7796 7.7796 7.8997 7.8997 8.3184 8.3184 10.5751 10.5751 k = 0.0000 0.0000 0.0000 ( 10971 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5152 -8.5152 -7.0794 -7.0794 -6.9898 -6.9898 -6.9661 -6.9661 -6.8916 -6.8916 -6.8844 -6.8844 -5.6247 -5.6247 -4.5549 -4.5549 0.4143 0.4143 0.6799 0.6799 0.8216 0.8216 1.2849 1.2849 1.3664 1.3664 1.7647 1.7647 2.1247 2.1247 3.2291 3.2291 3.3643 3.3643 3.3829 3.3829 3.5011 3.5011 3.5805 3.5805 3.6673 3.6673 4.1084 4.1084 4.1853 4.1853 4.2852 4.2852 4.4584 4.4584 4.5703 4.5703 6.0286 6.0286 6.8252 6.8252 7.6206 7.6206 7.8072 7.8072 7.8696 7.8696 8.3148 8.3148 10.5752 10.5752 k = 0.0000 0.0000 0.0000 ( 10971 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4861 -16.4861 -16.4823 -16.4823 -16.4798 -16.4798 -16.4677 -16.4677 -16.4618 -16.4618 -8.5152 -8.5152 -7.0794 -7.0794 -6.9898 -6.9898 -6.9661 -6.9661 -6.8916 -6.8916 -6.8844 -6.8844 -5.6247 -5.6247 -4.5549 -4.5549 0.4143 0.4143 0.6799 0.6799 0.8216 0.8216 1.2849 1.2849 1.3664 1.3664 1.7647 1.7647 2.1247 2.1247 3.2291 3.2291 3.3643 3.3643 3.3829 3.3829 3.5011 3.5011 3.5805 3.5805 3.6673 3.6673 4.1084 4.1084 4.1853 4.1853 4.2852 4.2852 4.4584 4.4584 4.5703 4.5703 6.0286 6.0286 6.8252 6.8252 7.6206 7.6206 7.8072 7.8072 7.8696 7.8696 8.3148 8.3148 10.5752 10.5752 k = 0.0115-0.0080-0.0204 ( 10985 PWs) bands (ev): -19.4576 -19.4576 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4871 -16.4871 -16.4860 -16.4860 -16.4823 -16.4823 -16.4797 -16.4797 -16.4677 -16.4677 -16.4618 -16.4618 -8.5143 -8.5143 -7.0791 -7.0791 -6.9914 -6.9914 -6.9678 -6.9678 -6.8915 -6.8915 -6.8845 -6.8845 -5.6224 -5.6224 -4.5550 -4.5550 0.4150 0.4150 0.6805 0.6805 0.8201 0.8201 1.2861 1.2861 1.3679 1.3679 1.7660 1.7660 2.1278 2.1278 3.2230 3.2230 3.3451 3.3451 3.3940 3.3940 3.4977 3.4977 3.5837 3.5837 3.6724 3.6724 4.1046 4.1046 4.1885 4.1885 4.2816 4.2816 4.4613 4.4613 4.5723 4.5723 6.0293 6.0293 6.8244 6.8244 7.6215 7.6215 7.8059 7.8059 7.8716 7.8716 8.3155 8.3155 10.5797 10.5797 k = 0.0229-0.0159-0.0408 ( 10989 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4873 -16.4873 -16.4858 -16.4858 -16.4824 -16.4824 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.5117 -8.5117 -7.0781 -7.0781 -6.9966 -6.9966 -6.9722 -6.9722 -6.8914 -6.8914 -6.8848 -6.8848 -5.6154 -5.6154 -4.5555 -4.5555 0.4169 0.4169 0.6824 0.6824 0.8158 0.8158 1.2888 1.2888 1.3729 1.3729 1.7699 1.7699 2.1370 2.1370 3.2048 3.2048 3.3141 3.3141 3.4027 3.4027 3.4878 3.4878 3.5938 3.5938 3.6852 3.6852 4.0948 4.0948 4.1959 4.1959 4.2719 4.2719 4.4697 4.4697 4.5781 4.5781 6.0317 6.0317 6.8222 6.8222 7.6240 7.6240 7.8023 7.8023 7.8775 7.8775 8.3174 8.3174 10.5928 10.5928 k = 0.0344-0.0239-0.0612 ( 10987 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4528 -19.4528 -16.4875 -16.4875 -16.4856 -16.4856 -16.4825 -16.4825 -16.4796 -16.4796 -16.4676 -16.4676 -16.4618 -16.4618 -8.5073 -8.5073 -7.0767 -7.0767 -7.0064 -7.0064 -6.9777 -6.9777 -6.8915 -6.8915 -6.8853 -6.8853 -5.6041 -5.6041 -4.5563 -4.5563 0.4200 0.4200 0.6853 0.6853 0.8098 0.8098 1.2908 1.2908 1.3830 1.3830 1.7763 1.7763 2.1520 2.1520 3.1750 3.1750 3.2811 3.2811 3.4019 3.4019 3.4749 3.4749 3.6087 3.6087 3.7011 3.7011 4.0820 4.0820 4.2029 4.2029 4.2597 4.2597 4.4823 4.4823 4.5868 4.5868 6.0356 6.0356 6.8185 6.8185 7.6280 7.6280 7.7969 7.7969 7.8871 7.8871 8.3205 8.3205 10.6140 10.6140 k = 0.0458-0.0318-0.0817 ( 11007 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4878 -16.4878 -16.4853 -16.4853 -16.4827 -16.4827 -16.4794 -16.4794 -16.4676 -16.4676 -16.4618 -16.4618 -8.5012 -8.5012 -7.0747 -7.0747 -7.0212 -7.0212 -6.9834 -6.9834 -6.8919 -6.8919 -6.8861 -6.8861 -5.5885 -5.5885 -4.5574 -4.5574 0.4239 0.4239 0.6891 0.6891 0.8036 0.8036 1.2903 1.2903 1.3992 1.3992 1.7850 1.7850 2.1721 2.1721 3.1354 3.1354 3.2489 3.2489 3.3898 3.3898 3.4645 3.4645 3.6246 3.6246 3.7168 3.7168 4.0685 4.0685 4.2007 4.2007 4.2541 4.2541 4.4976 4.4976 4.5973 4.5973 6.0410 6.0410 6.8135 6.8135 7.6330 7.6330 7.7904 7.7904 7.9003 7.9003 8.3245 8.3245 10.6423 10.6423 k = 0.0573-0.0398-0.1021 ( 11013 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4537 -19.4537 -19.4527 -19.4527 -16.4880 -16.4880 -16.4850 -16.4850 -16.4830 -16.4830 -16.4793 -16.4793 -16.4675 -16.4675 -16.4619 -16.4619 -8.4933 -8.4933 -7.0725 -7.0725 -7.0403 -7.0403 -6.9892 -6.9892 -6.8926 -6.8926 -6.8874 -6.8874 -5.5691 -5.5691 -4.5589 -4.5589 0.4282 0.4282 0.6930 0.6930 0.7991 0.7991 1.2866 1.2866 1.4211 1.4211 1.7958 1.7958 2.1968 2.1968 3.0893 3.0893 3.2177 3.2177 3.3680 3.3680 3.4571 3.4571 3.6385 3.6385 3.7302 3.7302 4.0555 4.0555 4.1841 4.1841 4.2611 4.2611 4.5139 4.5139 4.6089 4.6089 6.0481 6.0481 6.8073 6.8073 7.6386 7.6386 7.7839 7.7839 7.9167 7.9167 8.3291 8.3291 10.6760 10.6760 k = 0.0688-0.0477-0.1225 ( 11015 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4536 -19.4536 -19.4527 -19.4527 -16.4882 -16.4882 -16.4847 -16.4847 -16.4832 -16.4832 -16.4792 -16.4792 -16.4674 -16.4674 -16.4619 -16.4619 -8.4837 -8.4837 -7.0720 -7.0720 -7.0612 -7.0612 -6.9953 -6.9953 -6.8939 -6.8939 -6.8891 -6.8891 -5.5463 -5.5463 -4.5608 -4.5608 0.4327 0.4327 0.6959 0.6959 0.7989 0.7989 1.2805 1.2805 1.4472 1.4472 1.8082 1.8082 2.2250 2.2250 3.0403 3.0403 3.1870 3.1870 3.3407 3.3407 3.4498 3.4498 3.6491 3.6491 3.7407 3.7407 4.0437 4.0437 4.1604 4.1604 4.2746 4.2746 4.5295 4.5295 4.6209 4.6209 6.0569 6.0569 6.8001 6.8001 7.6439 7.6439 7.7784 7.7784 7.9361 7.9361 8.3339 8.3339 10.7125 10.7125 k = 0.0802-0.0557-0.1429 ( 11025 PWs) bands (ev): -19.4575 -19.4575 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4884 -16.4884 -16.4844 -16.4844 -16.4835 -16.4835 -16.4791 -16.4791 -16.4673 -16.4673 -16.4620 -16.4620 -8.4724 -8.4724 -7.0915 -7.0915 -7.0650 -7.0650 -7.0016 -7.0016 -6.8958 -6.8958 -6.8911 -6.8911 -5.5203 -5.5203 -4.5632 -4.5632 0.4369 0.4369 0.6966 0.6966 0.8050 0.8050 1.2725 1.2725 1.4761 1.4761 1.8218 1.8218 2.2560 2.2560 2.9914 2.9914 3.1562 3.1562 3.3113 3.3113 3.4400 3.4400 3.6560 3.6560 3.7476 3.7476 4.0326 4.0326 4.1353 4.1353 4.2900 4.2900 4.5431 4.5431 4.6325 4.6325 6.0675 6.0675 6.7923 6.7923 7.6482 7.6482 7.7754 7.7754 7.9579 7.9579 8.3386 8.3386 10.7477 10.7477 k = 0.0917-0.0637-0.1633 ( 11027 PWs) bands (ev): -19.4574 -19.4574 -19.4548 -19.4548 -19.4536 -19.4536 -19.4527 -19.4527 -16.4886 -16.4886 -16.4842 -16.4842 -16.4837 -16.4837 -16.4789 -16.4789 -16.4672 -16.4672 -16.4620 -16.4620 -8.4594 -8.4594 -7.1198 -7.1198 -7.0628 -7.0628 -7.0079 -7.0079 -6.8984 -6.8984 -6.8932 -6.8932 -5.4918 -5.4918 -4.5660 -4.5660 0.4408 0.4408 0.6950 0.6950 0.8185 0.8185 1.2633 1.2633 1.5060 1.5060 1.8361 1.8361 2.2886 2.2886 2.9450 2.9450 3.1250 3.1250 3.2816 3.2816 3.4266 3.4266 3.6595 3.6595 3.7511 3.7511 4.0213 4.0213 4.1120 4.1120 4.3055 4.3055 4.5539 4.5539 4.6431 4.6431 6.0801 6.0801 6.7842 6.7842 7.6505 7.6505 7.7760 7.7760 7.9815 7.9815 8.3429 8.3429 10.7738 10.7738 k = 0.1032-0.0716-0.1837 ( 11031 PWs) bands (ev): -19.4574 -19.4574 -19.4548 -19.4548 -19.4536 -19.4536 -19.4527 -19.4527 -16.4887 -16.4887 -16.4841 -16.4841 -16.4838 -16.4838 -16.4788 -16.4788 -16.4671 -16.4671 -16.4621 -16.4621 -8.4448 -8.4448 -7.1506 -7.1506 -7.0612 -7.0612 -7.0135 -7.0135 -6.9018 -6.9018 -6.8952 -6.8952 -5.4609 -5.4609 -4.5693 -4.5693 0.4441 0.4441 0.6920 0.6920 0.8387 0.8387 1.2535 1.2535 1.5358 1.5358 1.8503 1.8503 2.3217 2.3217 2.9033 2.9033 3.0933 3.0933 3.2529 3.2529 3.4093 3.4093 3.6599 3.6599 3.7513 3.7513 4.0080 4.0080 4.0931 4.0931 4.3199 4.3199 4.5613 4.5613 4.6517 4.6517 6.0947 6.0947 6.7762 6.7762 7.6504 7.6504 7.7808 7.7808 8.0063 8.0063 8.3464 8.3464 10.7776 10.7776 k = 0.1146-0.0796-0.2042 ( 11013 PWs) bands (ev): -19.4574 -19.4574 -19.4549 -19.4549 -19.4535 -19.4535 -19.4527 -19.4527 -16.4889 -16.4889 -16.4843 -16.4843 -16.4835 -16.4835 -16.4787 -16.4787 -16.4670 -16.4670 -16.4621 -16.4621 -8.4286 -8.4286 -7.1832 -7.1832 -7.0615 -7.0615 -7.0175 -7.0175 -6.9059 -6.9059 -6.8972 -6.8972 -5.4282 -5.4282 -4.5731 -4.5731 0.4469 0.4469 0.6888 0.6888 0.8646 0.8646 1.2435 1.2435 1.5640 1.5640 1.8640 1.8640 2.3538 2.3538 2.8683 2.8683 3.0612 3.0612 3.2264 3.2264 3.3885 3.3885 3.6575 3.6575 3.7484 3.7484 3.9918 3.9918 4.0800 4.0800 4.3324 4.3324 4.5654 4.5654 4.6576 4.6576 6.1115 6.1115 6.7688 6.7688 7.6480 7.6480 7.7900 7.7900 8.0315 8.0315 8.3489 8.3489 10.7508 10.7508 k = 0.1261-0.0875-0.2246 ( 11017 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4527 -19.4527 -16.4890 -16.4890 -16.4846 -16.4846 -16.4833 -16.4833 -16.4786 -16.4786 -16.4669 -16.4669 -16.4622 -16.4622 -8.4108 -8.4108 -7.2172 -7.2172 -7.0648 -7.0648 -7.0190 -7.0190 -6.9106 -6.9106 -6.8992 -6.8992 -5.3939 -5.3939 -4.5776 -4.5776 0.4493 0.4493 0.6866 0.6866 0.8948 0.8948 1.2338 1.2338 1.5894 1.5894 1.8769 1.8769 2.3835 2.3835 2.8416 2.8416 3.0286 3.0286 3.2027 3.2027 3.3652 3.3652 3.6525 3.6525 3.7430 3.7430 3.9734 3.9734 4.0721 4.0721 4.3423 4.3423 4.5660 4.5660 4.6602 4.6602 6.1303 6.1303 6.7624 6.7624 7.6440 7.6440 7.8028 7.8028 8.0564 8.0564 8.3501 8.3501 10.7036 10.7036 k = 0.1375-0.0955-0.2450 ( 11021 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4527 -19.4527 -16.4892 -16.4892 -16.4848 -16.4848 -16.4831 -16.4831 -16.4785 -16.4785 -16.4668 -16.4668 -16.4623 -16.4623 -8.3914 -8.3914 -7.2523 -7.2523 -7.0710 -7.0710 -7.0180 -7.0180 -6.9157 -6.9157 -6.9010 -6.9010 -5.3583 -5.3583 -4.5828 -4.5828 0.4515 0.4515 0.6859 0.6859 0.9280 0.9280 1.2250 1.2250 1.6108 1.6108 1.8887 1.8887 2.4094 2.4094 2.8242 2.8242 2.9963 2.9963 3.1822 3.1822 3.3409 3.3409 3.6446 3.6446 3.7357 3.7357 3.9542 3.9542 4.0677 4.0677 4.3488 4.3488 4.5630 4.5630 4.6597 4.6597 6.1508 6.1508 6.7575 6.7575 7.6391 7.6391 7.8187 7.8187 8.0802 8.0802 8.3500 8.3500 10.6482 10.6482 k = 0.1490-0.1035-0.2654 ( 11027 PWs) bands (ev): -19.4573 -19.4573 -19.4551 -19.4551 -19.4534 -19.4534 -19.4526 -19.4526 -16.4893 -16.4893 -16.4850 -16.4850 -16.4829 -16.4829 -16.4784 -16.4784 -16.4666 -16.4666 -16.4623 -16.4623 -8.3706 -8.3706 -7.2881 -7.2881 -7.0796 -7.0796 -7.0153 -7.0153 -6.9212 -6.9212 -6.9026 -6.9026 -5.3218 -5.3218 -4.5886 -4.5886 0.4537 0.4537 0.6871 0.6871 0.9624 0.9624 1.2179 1.2179 1.6271 1.6271 1.8996 1.8996 2.4307 2.4307 2.8153 2.8153 2.9655 2.9655 3.1644 3.1644 3.3175 3.3175 3.6342 3.6342 3.7269 3.7269 3.9356 3.9356 4.0654 4.0654 4.3514 4.3514 4.5563 4.5563 4.6565 4.6565 6.1728 6.1728 6.7544 6.7544 7.6339 7.6339 7.8368 7.8368 8.1022 8.1022 8.3485 8.3485 10.5900 10.5900 k = 0.1605-0.1114-0.2858 ( 11015 PWs) bands (ev): -19.4572 -19.4572 -19.4552 -19.4552 -19.4534 -19.4534 -19.4526 -19.4526 -16.4894 -16.4894 -16.4852 -16.4852 -16.4827 -16.4827 -16.4783 -16.4783 -16.4665 -16.4665 -16.4624 -16.4624 -8.3483 -8.3483 -7.3244 -7.3244 -7.0898 -7.0898 -7.0118 -7.0118 -6.9271 -6.9271 -6.9038 -6.9038 -5.2846 -5.2846 -4.5952 -4.5952 0.4563 0.4563 0.6904 0.6904 0.9956 0.9956 1.2141 1.2141 1.6376 1.6376 1.9100 1.9100 2.4473 2.4473 2.8111 2.8111 2.9396 2.9396 3.1482 3.1482 3.2978 3.2978 3.6214 3.6214 3.7169 3.7169 3.9180 3.9180 4.0640 4.0640 4.3495 4.3495 4.5461 4.5461 4.6513 4.6513 6.1956 6.1956 6.7534 6.7534 7.6286 7.6286 7.8566 7.8566 8.1219 8.1219 8.3460 8.3460 10.5312 10.5312 k = 0.1719-0.1194-0.3062 ( 11029 PWs) bands (ev): -19.4572 -19.4572 -19.4553 -19.4553 -19.4534 -19.4534 -19.4526 -19.4526 -16.4895 -16.4895 -16.4854 -16.4854 -16.4826 -16.4826 -16.4782 -16.4782 -16.4663 -16.4663 -16.4625 -16.4625 -8.3246 -8.3246 -7.3610 -7.3610 -7.1009 -7.1009 -7.0083 -7.0083 -6.9332 -6.9332 -6.9044 -6.9044 -5.2470 -5.2470 -4.6026 -4.6026 0.4594 0.4594 0.6960 0.6960 1.0242 1.0242 1.2163 1.2163 1.6421 1.6421 1.9204 1.9204 2.4596 2.4596 2.8043 2.8043 2.9246 2.9246 3.1317 3.1317 3.2846 3.2846 3.6071 3.6071 3.7058 3.7058 3.9018 3.9018 4.0630 4.0630 4.3428 4.3428 4.5324 4.5324 4.6451 4.6451 6.2186 6.2186 6.7544 6.7544 7.6238 7.6238 7.8777 7.8777 8.1389 8.1389 8.3427 8.3427 10.4728 10.4728 k = 0.1834-0.1273-0.3266 ( 11035 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4526 -19.4526 -16.4896 -16.4896 -16.4855 -16.4855 -16.4825 -16.4825 -16.4781 -16.4781 -16.4662 -16.4662 -16.4626 -16.4626 -8.2996 -8.2996 -7.3976 -7.3976 -7.1126 -7.1126 -7.0053 -7.0053 -6.9396 -6.9396 -6.9042 -6.9042 -5.2091 -5.2091 -4.6109 -4.6109 0.4632 0.4632 0.7037 0.7037 1.0439 1.0439 1.2274 1.2274 1.6411 1.6411 1.9309 1.9309 2.4687 2.4687 2.7874 2.7874 2.9253 2.9253 3.1136 3.1136 3.2799 3.2799 3.5921 3.5921 3.6933 3.6933 3.8868 3.8868 4.0621 4.0621 4.3312 4.3312 4.5158 4.5158 4.6382 4.6382 6.2413 6.2413 6.7574 6.7574 7.6194 7.6194 7.8997 7.8997 8.1528 8.1528 8.3392 8.3392 10.4156 10.4156 k = 0.1949-0.1353-0.3471 ( 11027 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4526 -19.4526 -16.4897 -16.4897 -16.4857 -16.4857 -16.4824 -16.4824 -16.4780 -16.4780 -16.4660 -16.4660 -16.4627 -16.4627 -8.2733 -8.2733 -7.4341 -7.4341 -7.1247 -7.1247 -7.0032 -7.0032 -6.9461 -6.9461 -6.9030 -6.9030 -5.1711 -5.1711 -4.6200 -4.6200 0.4681 0.4681 0.7135 0.7135 1.0525 1.0525 1.2488 1.2488 1.6359 1.6359 1.9420 1.9420 2.4750 2.4750 2.7616 2.7616 2.9378 2.9378 3.0948 3.0948 3.2839 3.2839 3.5775 3.5775 3.6792 3.6792 3.8732 3.8732 4.0611 4.0611 4.3150 4.3150 4.4971 4.4971 4.6312 4.6312 6.2632 6.2632 6.7622 6.7622 7.6156 7.6156 7.9219 7.9219 8.1639 8.1639 8.3360 8.3360 10.3601 10.3601 k = 0.2063-0.1432-0.3675 ( 11039 PWs) bands (ev): -19.4570 -19.4570 -19.4555 -19.4555 -19.4533 -19.4533 -19.4526 -19.4526 -16.4898 -16.4898 -16.4858 -16.4858 -16.4824 -16.4824 -16.4778 -16.4778 -16.4659 -16.4659 -16.4628 -16.4628 -8.2459 -8.2459 -7.4703 -7.4703 -7.1371 -7.1371 -7.0023 -7.0023 -6.9527 -6.9527 -6.9006 -6.9006 -5.1332 -5.1332 -4.6300 -4.6300 0.4740 0.4740 0.7254 0.7254 1.0510 1.0510 1.2775 1.2775 1.6282 1.6282 1.9537 1.9537 2.4788 2.4788 2.7317 2.7317 2.9538 2.9538 3.0780 3.0780 3.2952 3.2952 3.5638 3.5638 3.6639 3.6639 3.8606 3.8606 4.0597 4.0597 4.2951 4.2951 4.4768 4.4768 4.6239 4.6239 6.2839 6.2839 6.7682 6.7682 7.6123 7.6123 7.9440 7.9440 8.1724 8.1724 8.3337 8.3337 10.3069 10.3069 k = 0.2178-0.1512-0.3879 ( 11043 PWs) bands (ev): -19.4570 -19.4570 -19.4556 -19.4556 -19.4533 -19.4533 -19.4526 -19.4526 -16.4899 -16.4899 -16.4858 -16.4858 -16.4824 -16.4824 -16.4777 -16.4777 -16.4657 -16.4657 -16.4629 -16.4629 -8.2174 -8.2174 -7.5061 -7.5061 -7.1495 -7.1495 -7.0027 -7.0027 -6.9594 -6.9594 -6.8971 -6.8971 -5.0956 -5.0956 -4.6409 -4.6409 0.4812 0.4812 0.7391 0.7391 1.0428 1.0428 1.3089 1.3089 1.6198 1.6198 1.9662 1.9662 2.4796 2.4796 2.7010 2.7010 2.9650 2.9650 3.0687 3.0687 3.3112 3.3112 3.5510 3.5510 3.6485 3.6485 3.8493 3.8493 4.0580 4.0580 4.2727 4.2727 4.4555 4.4555 4.6166 4.6166 6.3032 6.3032 6.7751 6.7751 7.6097 7.6097 7.9651 7.9651 8.1792 8.1792 8.3326 8.3326 10.2566 10.2566 k = 0.2292-0.1592-0.4083 ( 11039 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4532 -19.4532 -19.4526 -19.4526 -16.4900 -16.4900 -16.4858 -16.4858 -16.4824 -16.4824 -16.4776 -16.4776 -16.4656 -16.4656 -16.4630 -16.4630 -8.1879 -8.1879 -7.5412 -7.5412 -7.1619 -7.1619 -7.0043 -7.0043 -6.9661 -6.9661 -6.8925 -6.8925 -5.0584 -5.0584 -4.6526 -4.6526 0.4898 0.4898 0.7545 0.7545 1.0303 1.0303 1.3385 1.3385 1.6130 1.6130 1.9798 1.9798 2.4769 2.4769 2.6716 2.6716 2.9653 2.9653 3.0712 3.0712 3.3294 3.3294 3.5377 3.5377 3.6356 3.6356 3.8391 3.8391 4.0557 4.0557 4.2493 4.2493 4.4333 4.4333 4.6091 4.6091 6.3209 6.3209 6.7820 6.7820 7.6077 7.6077 7.9847 7.9847 8.1854 8.1854 8.3333 8.3333 10.2096 10.2096 k = 0.2407-0.1671-0.4287 ( 11031 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4532 -19.4532 -19.4526 -19.4526 -16.4901 -16.4901 -16.4858 -16.4858 -16.4825 -16.4825 -16.4775 -16.4775 -16.4654 -16.4654 -16.4632 -16.4632 -8.1576 -8.1576 -7.5756 -7.5756 -7.1741 -7.1741 -7.0072 -7.0072 -6.9727 -6.9727 -6.8871 -6.8871 -5.0217 -5.0217 -4.6653 -4.6653 0.4997 0.4997 0.7714 0.7714 1.0154 1.0154 1.3627 1.3627 1.6097 1.6097 1.9947 1.9947 2.4700 2.4700 2.6450 2.6450 2.9564 2.9564 3.0828 3.0828 3.3471 3.3471 3.5221 3.5221 3.6286 3.6286 3.8303 3.8303 4.0527 4.0527 4.2265 4.2265 4.4103 4.4103 4.6016 4.6016 6.3371 6.3371 6.7886 6.7886 7.6064 7.6064 8.0017 8.0017 8.1922 8.1922 8.3358 8.3358 10.1665 10.1665 k = 0.2522-0.1751-0.4491 ( 11019 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4532 -19.4532 -19.4526 -19.4526 -16.4902 -16.4902 -16.4857 -16.4857 -16.4826 -16.4826 -16.4774 -16.4774 -16.4653 -16.4653 -16.4633 -16.4633 -8.1265 -8.1265 -7.6091 -7.6091 -7.1860 -7.1860 -7.0111 -7.0111 -6.9793 -6.9793 -6.8812 -6.8812 -4.9858 -4.9858 -4.6787 -4.6787 0.5110 0.5110 0.7893 0.7893 0.9992 0.9992 1.3790 1.3790 1.6112 1.6112 2.0111 2.0111 2.4582 2.4582 2.6225 2.6225 2.9441 2.9441 3.0967 3.0967 3.3620 3.3620 3.5038 3.5038 3.6291 3.6291 3.8233 3.8233 4.0489 4.0489 4.2057 4.2057 4.3869 4.3869 4.5942 4.5942 6.3520 6.3520 6.7942 6.7942 7.6057 7.6057 8.0156 8.0156 8.2008 8.2008 8.3404 8.3404 10.1278 10.1278 k = 0.2636-0.1830-0.4696 ( 11031 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4532 -19.4532 -19.4526 -19.4526 -16.4903 -16.4903 -16.4857 -16.4857 -16.4827 -16.4827 -16.4773 -16.4773 -16.4651 -16.4651 -16.4634 -16.4634 -8.0948 -8.0948 -7.6417 -7.6417 -7.1974 -7.1974 -7.0158 -7.0158 -6.9858 -6.9858 -6.8749 -6.8749 -4.9508 -4.9508 -4.6929 -4.6929 0.5236 0.5236 0.8078 0.8078 0.9828 0.9828 1.3869 1.3869 1.6175 1.6175 2.0287 2.0287 2.4416 2.4416 2.6048 2.6048 2.9319 2.9319 3.1080 3.1080 3.3712 3.3712 3.4863 3.4863 3.6358 3.6358 3.8187 3.8187 4.0437 4.0437 4.1880 4.1880 4.3631 4.3631 4.5870 4.5870 6.3657 6.3657 6.7984 6.7984 7.6058 7.6058 8.0261 8.0261 8.2115 8.2115 8.3473 8.3473 10.0939 10.0939 k = 0.2751-0.1910-0.4900 ( 11041 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4856 -16.4856 -16.4828 -16.4828 -16.4772 -16.4772 -16.4650 -16.4650 -16.4635 -16.4635 -8.0627 -8.0627 -7.6733 -7.6733 -7.2083 -7.2083 -7.0211 -7.0211 -6.9921 -6.9921 -6.8685 -6.8685 -4.9169 -4.9169 -4.7076 -4.7076 0.5376 0.5376 0.8260 0.8260 0.9675 0.9675 1.3876 1.3876 1.6269 1.6269 2.0467 2.0467 2.4211 2.4211 2.5915 2.5915 2.9214 2.9214 3.1136 3.1136 3.3721 3.3721 3.4752 3.4752 3.6456 3.6456 3.8177 3.8177 4.0371 4.0371 4.1744 4.1744 4.3395 4.3395 4.5803 4.5803 6.3785 6.3785 6.8008 6.8008 7.6068 7.6068 8.0333 8.0333 8.2240 8.2240 8.3568 8.3568 10.0650 10.0650 k = 0.2866-0.1989-0.5104 ( 11037 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4854 -16.4854 -16.4830 -16.4830 -16.4771 -16.4771 -16.4649 -16.4649 -16.4636 -16.4636 -8.0303 -8.0303 -7.7037 -7.7037 -7.2186 -7.2186 -7.0270 -7.0270 -6.9983 -6.9983 -6.8622 -6.8622 -4.8844 -4.8844 -4.7226 -4.7226 0.5528 0.5528 0.8426 0.8426 0.9549 0.9549 1.3831 1.3831 1.6374 1.6374 2.0639 2.0639 2.3984 2.3984 2.5819 2.5819 2.9128 2.9128 3.1118 3.1118 3.3647 3.3647 3.4733 3.4733 3.6553 3.6553 3.8208 3.8208 4.0289 4.0289 4.1650 4.1650 4.3167 4.3167 4.5743 4.5743 6.3904 6.3904 6.8013 6.8013 7.6089 7.6089 8.0379 8.0379 8.2373 8.2373 8.3693 8.3693 10.0403 10.0403 k = 0.2980-0.2069-0.5308 ( 11031 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4853 -16.4853 -16.4832 -16.4832 -16.4770 -16.4770 -16.4648 -16.4648 -16.4637 -16.4637 -7.9978 -7.9978 -7.7328 -7.7328 -7.2280 -7.2280 -7.0332 -7.0332 -7.0043 -7.0043 -6.8563 -6.8563 -4.8539 -4.8539 -4.7373 -4.7373 0.5691 0.5691 0.8549 0.8549 0.9479 0.9479 1.3757 1.3757 1.6476 1.6476 2.0785 2.0785 2.3754 2.3754 2.5745 2.5745 2.9059 2.9059 3.1025 3.1025 3.3537 3.3537 3.4778 3.4778 3.6633 3.6633 3.8283 3.8283 4.0191 4.0191 4.1593 4.1593 4.2955 4.2955 4.5693 4.5693 6.4017 6.4017 6.7997 6.7997 7.6123 7.6123 8.0406 8.0406 8.2505 8.2505 8.3848 8.3848 10.0153 10.0153 k = 0.3095-0.2149-0.5512 ( 11043 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4851 -16.4851 -16.4833 -16.4833 -16.4770 -16.4770 -16.4647 -16.4647 -16.4638 -16.4638 -7.9655 -7.9655 -7.7607 -7.7607 -7.2364 -7.2364 -7.0397 -7.0397 -7.0101 -7.0101 -6.8508 -6.8508 -4.8271 -4.8271 -4.7500 -4.7500 0.5864 0.5864 0.8599 0.8599 0.9494 0.9494 1.3670 1.3670 1.6564 1.6564 2.0887 2.0887 2.3542 2.3542 2.5678 2.5678 2.8993 2.8993 3.0884 3.0884 3.3436 3.3436 3.4844 3.4844 3.6697 3.6697 3.8387 3.8387 4.0084 4.0084 4.1559 4.1559 4.2773 4.2773 4.5656 4.5656 6.4126 6.4126 6.7960 6.7960 7.6173 7.6173 8.0420 8.0420 8.2628 8.2628 8.4033 8.4033 9.9767 9.9767 k = 0.3209-0.2228-0.5716 ( 11049 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4834 -16.4834 -16.4770 -16.4770 -16.4646 -16.4646 -16.4639 -16.4639 -7.9336 -7.9336 -7.7872 -7.7872 -7.2438 -7.2438 -7.0463 -7.0463 -7.0157 -7.0157 -6.8459 -6.8459 -4.8102 -4.8102 -4.7545 -4.7545 0.6044 0.6044 0.8573 0.8573 0.9597 0.9597 1.3581 1.3581 1.6636 1.6636 2.0929 2.0929 2.3367 2.3367 2.5602 2.5602 2.8906 2.8906 3.0741 3.0741 3.3356 3.3356 3.4900 3.4900 3.6761 3.6761 3.8501 3.8501 3.9977 3.9977 4.1528 4.1528 4.2636 4.2636 4.5636 4.5636 6.4230 6.4230 6.7901 6.7901 7.6241 7.6241 8.0424 8.0424 8.2743 8.2743 8.4241 8.4241 9.9271 9.9271 k = 0.3324-0.2308-0.5921 ( 11051 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4835 -16.4835 -16.4769 -16.4769 -16.4646 -16.4646 -16.4639 -16.4639 -7.9026 -7.9026 -7.8120 -7.8120 -7.2498 -7.2498 -7.0530 -7.0530 -7.0211 -7.0211 -6.8417 -6.8417 -4.8113 -4.8113 -4.7425 -4.7425 0.6231 0.6231 0.8507 0.8507 0.9751 0.9751 1.3499 1.3499 1.6689 1.6689 2.0900 2.0900 2.3241 2.3241 2.5502 2.5502 2.8771 2.8771 3.0646 3.0646 3.3293 3.3293 3.4934 3.4934 3.6835 3.6835 3.8603 3.8603 3.9882 3.9882 4.1479 4.1479 4.2561 4.2561 4.5635 4.5635 6.4331 6.4331 6.7820 6.7820 7.6329 7.6329 8.0419 8.0419 8.2850 8.2850 8.4464 8.4464 9.8765 9.8765 k = 0.3439-0.2387-0.6125 ( 11041 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4906 -16.4906 -16.4850 -16.4850 -16.4835 -16.4835 -16.4770 -16.4770 -16.4646 -16.4646 -16.4639 -16.4639 -7.8735 -7.8735 -7.8342 -7.8342 -7.2545 -7.2545 -7.0598 -7.0598 -7.0262 -7.0262 -6.8384 -6.8384 -4.8236 -4.8236 -4.7210 -4.7210 0.6419 0.6419 0.8431 0.8431 0.9926 0.9926 1.3433 1.3433 1.6726 1.6726 2.0805 2.0805 2.3163 2.3163 2.5366 2.5366 2.8585 2.8585 3.0623 3.0623 3.3239 3.3239 3.4943 3.4943 3.6924 3.6924 3.8671 3.8671 3.9817 3.9817 4.1404 4.1404 4.2550 4.2550 4.5653 4.5653 6.4429 6.4429 6.7718 6.7718 7.6438 7.6438 8.0407 8.0407 8.2955 8.2955 8.4695 8.4695 9.8276 9.8276 k = 0.3553-0.2467-0.6329 ( 11047 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4851 -16.4851 -16.4833 -16.4833 -16.4770 -16.4770 -16.4646 -16.4646 -16.4638 -16.4638 -7.8636 -7.8636 -7.8371 -7.8371 -7.2576 -7.2576 -7.0665 -7.0665 -7.0311 -7.0311 -6.8360 -6.8360 -4.8391 -4.8391 -4.6976 -4.6976 0.6605 0.6605 0.8363 0.8363 1.0101 1.0101 1.3386 1.3386 1.6747 1.6747 2.0658 2.0658 2.3123 2.3123 2.5189 2.5189 2.8372 2.8372 3.0652 3.0652 3.3194 3.3194 3.4930 3.4930 3.7023 3.7023 3.8691 3.8691 3.9799 3.9799 4.1314 4.1314 4.2591 4.2591 4.5692 4.5692 6.4522 6.4522 6.7595 6.7595 7.6567 7.6567 8.0386 8.0386 8.3063 8.3063 8.4925 8.4925 9.7812 9.7812 k = 0.3668-0.2547-0.6533 ( 11043 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4853 -16.4853 -16.4831 -16.4831 -16.4770 -16.4770 -16.4647 -16.4647 -16.4638 -16.4638 -7.8814 -7.8814 -7.8122 -7.8122 -7.2589 -7.2589 -7.0732 -7.0732 -7.0357 -7.0357 -6.8346 -6.8346 -4.8555 -4.8555 -4.6746 -4.6746 0.6781 0.6781 0.8315 0.8315 1.0265 1.0265 1.3364 1.3364 1.6751 1.6751 2.0481 2.0481 2.3104 2.3104 2.4969 2.4969 2.8166 2.8166 3.0696 3.0696 3.3161 3.3161 3.4902 3.4902 3.7118 3.7118 3.8663 3.8663 3.9832 3.9832 4.1228 4.1228 4.2667 4.2667 4.5749 4.5749 6.4608 6.4608 6.7454 6.7454 7.6717 7.6717 8.0356 8.0356 8.3180 8.3180 8.5148 8.5148 9.7377 9.7377 k = 0.6332 0.0069-0.4745 ( 11043 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4905 -16.4905 -16.4853 -16.4853 -16.4831 -16.4831 -16.4770 -16.4770 -16.4647 -16.4647 -16.4638 -16.4638 -7.8814 -7.8814 -7.8122 -7.8122 -7.2589 -7.2589 -7.0732 -7.0732 -7.0357 -7.0357 -6.8346 -6.8346 -4.8555 -4.8555 -4.6746 -4.6746 0.6781 0.6781 0.8315 0.8315 1.0265 1.0265 1.3364 1.3364 1.6751 1.6751 2.0481 2.0481 2.3104 2.3104 2.4969 2.4969 2.8166 2.8166 3.0696 3.0696 3.3161 3.3161 3.4902 3.4902 3.7118 3.7118 3.8663 3.8663 3.9832 3.9832 4.1228 4.1228 4.2667 4.2667 4.5749 4.5749 6.4608 6.4608 6.7454 6.7454 7.6717 7.6717 8.0356 8.0356 8.3180 8.3180 8.5148 8.5148 9.7377 9.7377 k = 0.6221 0.0281-0.4745 ( 11035 PWs) bands (ev): -19.4567 -19.4567 -19.4560 -19.4560 -19.4532 -19.4532 -19.4526 -19.4526 -16.4904 -16.4904 -16.4856 -16.4856 -16.4828 -16.4828 -16.4771 -16.4771 -16.4648 -16.4648 -16.4637 -16.4637 -7.8994 -7.8994 -7.7874 -7.7874 -7.2585 -7.2585 -7.0796 -7.0796 -7.0399 -7.0399 -6.8342 -6.8342 -4.8714 -4.8714 -4.6535 -4.6535 0.6935 0.6935 0.8300 0.8300 1.0406 1.0406 1.3366 1.3366 1.6739 1.6739 2.0298 2.0298 2.3089 2.3089 2.4722 2.4722 2.8000 2.8000 3.0717 3.0717 3.3149 3.3149 3.4863 3.4863 3.7190 3.7190 3.8608 3.8608 3.9900 3.9900 4.1167 4.1167 4.2765 4.2765 4.5816 4.5816 6.4685 6.4685 6.7301 6.7301 7.6878 7.6878 8.0318 8.0318 8.3304 8.3304 8.5350 8.5350 9.6985 9.6985 k = 0.6110 0.0493-0.4745 ( 11033 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4903 -16.4903 -16.4858 -16.4858 -16.4826 -16.4826 -16.4772 -16.4772 -16.4649 -16.4649 -16.4636 -16.4636 -7.9162 -7.9162 -7.7643 -7.7643 -7.2562 -7.2562 -7.0861 -7.0861 -7.0437 -7.0437 -6.8346 -6.8346 -4.8869 -4.8869 -4.6338 -4.6338 0.7061 0.7061 0.8325 0.8325 1.0525 1.0525 1.3393 1.3393 1.6711 1.6711 2.0118 2.0118 2.3064 2.3064 2.4458 2.4458 2.7879 2.7879 3.0695 3.0695 3.3163 3.3163 3.4815 3.4815 3.7225 3.7225 3.8550 3.8550 3.9982 3.9982 4.1142 4.1142 4.2885 4.2885 4.5891 4.5891 6.4751 6.4751 6.7136 6.7136 7.7054 7.7054 8.0272 8.0272 8.3441 8.3441 8.5534 8.5534 9.6625 9.6625 k = 0.5999 0.0706-0.4745 ( 11025 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4902 -16.4902 -16.4861 -16.4861 -16.4823 -16.4823 -16.4773 -16.4773 -16.4649 -16.4649 -16.4636 -16.4636 -7.9317 -7.9317 -7.7432 -7.7432 -7.2521 -7.2521 -7.0925 -7.0925 -7.0473 -7.0473 -6.8359 -6.8359 -4.9018 -4.9018 -4.6156 -4.6156 0.7151 0.7151 0.8397 0.8397 1.0618 1.0618 1.3442 1.3442 1.6666 1.6666 1.9951 1.9951 2.3018 2.3018 2.4193 2.4193 2.7808 2.7808 3.0621 3.0621 3.3204 3.3204 3.4758 3.4758 3.7210 3.7210 3.8505 3.8505 4.0060 4.0060 4.1161 4.1161 4.3031 4.3031 4.5966 4.5966 6.4805 6.4805 6.6965 6.6965 7.7241 7.7241 8.0217 8.0217 8.3594 8.3594 8.5695 8.5695 9.6297 9.6297 k = 0.5888 0.0918-0.4745 ( 11023 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4532 -19.4532 -19.4526 -19.4526 -16.4901 -16.4901 -16.4864 -16.4864 -16.4820 -16.4820 -16.4775 -16.4775 -16.4650 -16.4650 -16.4635 -16.4635 -7.9455 -7.9455 -7.7244 -7.7244 -7.2462 -7.2462 -7.0990 -7.0990 -7.0504 -7.0504 -6.8380 -6.8380 -4.9157 -4.9157 -4.5991 -4.5991 0.7204 0.7204 0.8519 0.8519 1.0685 1.0685 1.3509 1.3509 1.6607 1.6607 1.9802 1.9802 2.2944 2.2944 2.3949 2.3949 2.7785 2.7785 3.0497 3.0497 3.3269 3.3269 3.4692 3.4692 3.7145 3.7145 3.8476 3.8476 4.0124 4.0124 4.1218 4.1218 4.3210 4.3210 4.6035 4.6035 6.4841 6.4841 6.6793 6.6793 7.7434 7.7434 8.0155 8.0155 8.3761 8.3761 8.5829 8.5829 9.6002 9.6002 k = 0.5777 0.1130-0.4745 ( 11017 PWs) bands (ev): -19.4567 -19.4567 -19.4559 -19.4559 -19.4531 -19.4531 -19.4526 -19.4526 -16.4900 -16.4900 -16.4867 -16.4867 -16.4817 -16.4817 -16.4776 -16.4776 -16.4651 -16.4651 -16.4634 -16.4634 -7.9579 -7.9579 -7.7080 -7.7080 -7.2387 -7.2387 -7.1055 -7.1055 -7.0533 -7.0533 -6.8406 -6.8406 -4.9285 -4.9285 -4.5844 -4.5844 0.7227 0.7227 0.8680 0.8680 1.0722 1.0722 1.3589 1.3589 1.6534 1.6534 1.9672 1.9672 2.2840 2.2840 2.3740 2.3740 2.7807 2.7807 3.0334 3.0334 3.3351 3.3351 3.4620 3.4620 3.7039 3.7039 3.8460 3.8460 4.0174 4.0174 4.1296 4.1296 4.3429 4.3429 4.6091 4.6091 6.4857 6.4857 6.6630 6.6630 7.7629 7.7629 8.0086 8.0086 8.3941 8.3941 8.5933 8.5933 9.5741 9.5741 k = 0.5666 0.1342-0.4745 ( 11021 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4898 -16.4898 -16.4870 -16.4870 -16.4813 -16.4813 -16.4778 -16.4778 -16.4651 -16.4651 -16.4634 -16.4634 -7.9686 -7.9686 -7.6941 -7.6941 -7.2297 -7.2297 -7.1123 -7.1123 -7.0557 -7.0557 -6.8437 -6.8437 -4.9400 -4.9400 -4.5715 -4.5715 0.7229 0.7229 0.8870 0.8870 1.0730 1.0730 1.3678 1.3678 1.6452 1.6452 1.9560 1.9560 2.2719 2.2719 2.3568 2.3568 2.7867 2.7867 3.0143 3.0143 3.3444 3.3444 3.4542 3.4542 3.6909 3.6909 3.8448 3.8448 4.0214 4.0214 4.1376 4.1376 4.3687 4.3687 4.6127 4.6127 6.4850 6.4850 6.6485 6.6485 7.7821 7.7821 8.0013 8.0013 8.4130 8.4130 8.6005 8.6005 9.5515 9.5515 k = 0.5555 0.1554-0.4745 ( 11027 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4897 -16.4897 -16.4872 -16.4872 -16.4810 -16.4810 -16.4780 -16.4780 -16.4652 -16.4652 -16.4633 -16.4633 -7.9777 -7.9777 -7.6826 -7.6826 -7.2196 -7.2196 -7.1192 -7.1192 -7.0578 -7.0578 -6.8471 -6.8471 -4.9501 -4.9501 -4.5605 -4.5605 0.7220 0.7220 0.9078 0.9078 1.0706 1.0706 1.3769 1.3769 1.6366 1.6366 1.9463 1.9463 2.2599 2.2599 2.3427 2.3427 2.7959 2.7959 2.9935 2.9935 3.3544 3.3544 3.4461 3.4461 3.6768 3.6768 3.8436 3.8436 4.0249 4.0249 4.1446 4.1446 4.3975 4.3975 4.6137 4.6137 6.4820 6.4820 6.6364 6.6364 7.8006 7.8006 7.9937 7.9937 8.4325 8.4325 8.6044 8.6044 9.5322 9.5322 k = 0.5444 0.1767-0.4745 ( 11033 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4531 -19.4531 -19.4527 -19.4527 -16.4895 -16.4895 -16.4875 -16.4875 -16.4807 -16.4807 -16.4782 -16.4782 -16.4652 -16.4652 -16.4633 -16.4633 -7.9852 -7.9852 -7.6734 -7.6734 -7.2088 -7.2088 -7.1266 -7.1266 -7.0595 -7.0595 -6.8503 -6.8503 -4.9585 -4.9585 -4.5515 -4.5515 0.7206 0.7206 0.9296 0.9296 1.0650 1.0650 1.3856 1.3856 1.6282 1.6282 1.9380 1.9380 2.2500 2.2500 2.3307 2.3307 2.8079 2.8079 2.9719 2.9719 3.3646 3.3646 3.4380 3.4380 3.6631 3.6631 3.8424 3.8424 4.0279 4.0279 4.1498 4.1498 4.4278 4.4278 4.6119 4.6119 6.4772 6.4772 6.6272 6.6272 7.8176 7.8176 7.9861 7.9861 8.4517 8.4517 8.6052 8.6052 9.5165 9.5165 k = 0.5333 0.1979-0.4745 ( 11029 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4527 -19.4527 -16.4893 -16.4893 -16.4878 -16.4878 -16.4804 -16.4804 -16.4784 -16.4784 -16.4652 -16.4652 -16.4633 -16.4633 -7.9910 -7.9910 -7.6664 -7.6664 -7.1977 -7.1977 -7.1343 -7.1343 -7.0608 -7.0608 -6.8533 -6.8533 -4.9652 -4.9652 -4.5444 -4.5444 0.7191 0.7191 0.9516 0.9516 1.0563 1.0563 1.3934 1.3934 1.6207 1.6207 1.9311 1.9311 2.2430 2.2430 2.3205 2.3205 2.8219 2.8219 2.9504 2.9504 3.3747 3.3747 3.4300 3.4300 3.6508 3.6508 3.8413 3.8413 4.0305 4.0305 4.1535 4.1535 4.4575 4.4575 4.6071 4.6071 6.4715 6.4715 6.6208 6.6208 7.8326 7.8326 7.9788 7.9788 8.4698 8.4698 8.6033 8.6033 9.5042 9.5042 k = 0.5222 0.2191-0.4745 ( 11030 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4891 -16.4891 -16.4881 -16.4881 -16.4802 -16.4802 -16.4786 -16.4786 -16.4653 -16.4653 -16.4633 -16.4633 -7.9952 -7.9952 -7.6615 -7.6615 -7.1868 -7.1868 -7.1424 -7.1424 -7.0617 -7.0617 -6.8556 -6.8556 -4.9700 -4.9700 -4.5393 -4.5393 0.7179 0.7179 0.9731 0.9731 1.0445 1.0445 1.3995 1.3995 1.6148 1.6148 1.9258 1.9258 2.2389 2.2389 2.3124 2.3124 2.8370 2.8370 2.9298 2.9298 3.3844 3.3844 3.4221 3.4221 3.6410 3.6410 3.8403 3.8403 4.0324 4.0324 4.1559 4.1559 4.4842 4.4842 4.5997 4.5997 6.4663 6.4663 6.6167 6.6167 7.8445 7.8445 7.9725 7.9725 8.4852 8.4852 8.5998 8.5998 9.4955 9.4955 k = 0.5111 0.2403-0.4745 ( 11026 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4883 -16.4883 -16.4800 -16.4800 -16.4787 -16.4787 -16.4653 -16.4653 -16.4632 -16.4632 -7.9977 -7.9977 -7.6587 -7.6587 -7.1769 -7.1769 -7.1505 -7.1505 -7.0623 -7.0623 -6.8571 -6.8571 -4.9729 -4.9729 -4.5363 -4.5363 0.7171 0.7171 0.9937 0.9937 1.0300 1.0300 1.4035 1.4035 1.6110 1.6110 1.9224 1.9224 2.2371 2.2371 2.3070 2.3070 2.8514 2.8514 2.9121 2.9121 3.3931 3.3931 3.4147 3.4147 3.6347 3.6347 3.8397 3.8397 4.0337 4.0337 4.1572 4.1572 4.5044 4.5044 4.5917 4.5917 6.4626 6.4626 6.6144 6.6144 7.8524 7.8524 7.9681 7.9681 8.4960 8.4960 8.5962 8.5962 9.4902 9.4902 k = 0.5000 0.2616-0.4745 ( 11024 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -7.9985 -7.9985 -7.6577 -7.6577 -7.1715 -7.1715 -7.1551 -7.1551 -7.0625 -7.0625 -6.8576 -6.8576 -4.9739 -4.9739 -4.5352 -4.5352 0.7168 0.7168 1.0111 1.0111 1.0145 1.0145 1.4049 1.4049 1.6096 1.6096 1.9213 1.9213 2.2366 2.2366 2.3051 2.3051 2.8587 2.8587 2.9036 2.9036 3.3979 3.3979 3.4104 3.4104 3.6326 3.6326 3.8395 3.8395 4.0341 4.0341 4.1576 4.1576 4.5125 4.5125 4.5878 4.5878 6.4613 6.4613 6.6137 6.6137 7.8552 7.8552 7.9665 7.9665 8.5000 8.5000 8.5947 8.5947 9.4885 9.4885 k = 0.5000 0.2616-0.4745 ( 11024 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -7.9985 -7.9985 -7.6577 -7.6577 -7.1715 -7.1715 -7.1551 -7.1551 -7.0625 -7.0625 -6.8576 -6.8576 -4.9739 -4.9739 -4.5352 -4.5352 0.7168 0.7168 1.0111 1.0111 1.0145 1.0145 1.4049 1.4049 1.6096 1.6096 1.9213 1.9213 2.2366 2.2366 2.3051 2.3051 2.8587 2.8587 2.9036 2.9036 3.3979 3.3979 3.4104 3.4104 3.6326 3.6326 3.8395 3.8395 4.0341 4.0341 4.1576 4.1576 4.5125 4.5125 4.5878 4.5878 6.4613 6.4613 6.6137 6.6137 7.8552 7.8552 7.9665 7.9665 8.5000 8.5000 8.5947 8.5947 9.4885 9.4885 k = 0.5133 0.2685-0.4567 ( 11025 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -7.9988 -7.9988 -7.6573 -7.6573 -7.1722 -7.1722 -7.1592 -7.1592 -7.0575 -7.0575 -6.8577 -6.8577 -4.9754 -4.9754 -4.5340 -4.5340 0.7151 0.7151 0.9906 0.9906 1.0359 1.0359 1.4027 1.4027 1.6122 1.6122 1.9230 1.9230 2.2336 2.2336 2.3106 2.3106 2.8577 2.8577 2.9045 2.9045 3.3880 3.3880 3.4209 3.4209 3.6310 3.6310 3.8356 3.8356 4.0330 4.0330 4.1587 4.1587 4.5099 4.5099 4.5878 4.5878 6.4618 6.4618 6.6168 6.6168 7.8546 7.8546 7.9698 7.9698 8.4983 8.4983 8.5934 8.5934 9.4915 9.4915 k = 0.5266 0.2755-0.4388 ( 11025 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4884 -16.4884 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -7.9995 -7.9995 -7.6558 -7.6558 -7.1782 -7.1782 -7.1648 -7.1648 -7.0452 -7.0452 -6.8580 -6.8580 -4.9798 -4.9798 -4.5305 -4.5305 0.7099 0.7099 0.9695 0.9695 1.0593 1.0593 1.3965 1.3965 1.6199 1.6199 1.9280 1.9280 2.2268 2.2268 2.3249 2.3249 2.8548 2.8548 2.9070 2.9070 3.3744 3.3744 3.4362 3.4362 3.6258 3.6258 3.8255 3.8255 4.0293 4.0293 4.1614 4.1614 4.5025 4.5025 4.5878 4.5878 6.4638 6.4638 6.6256 6.6256 7.8531 7.8531 7.9793 7.9793 8.4932 8.4932 8.5896 8.5896 9.5006 9.5006 k = 0.5400 0.2825-0.4209 ( 11032 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4883 -16.4883 -16.4800 -16.4800 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0008 -8.0008 -7.6535 -7.6535 -7.1928 -7.1928 -7.1650 -7.1650 -7.0291 -7.0291 -6.8584 -6.8584 -4.9869 -4.9869 -4.5248 -4.5248 0.7015 0.7015 0.9498 0.9498 1.0824 1.0824 1.3869 1.3869 1.6324 1.6324 1.9356 1.9356 2.2195 2.2195 2.3448 2.3448 2.8506 2.8506 2.9104 2.9104 3.3607 3.3607 3.4522 3.4522 3.6163 3.6163 3.8130 3.8130 4.0223 4.0223 4.1642 4.1642 4.4913 4.4913 4.5871 4.5871 6.4680 6.4680 6.6391 6.6391 7.8520 7.8520 7.9935 7.9935 8.4846 8.4846 8.5836 8.5836 9.5157 9.5157 k = 0.5533 0.2894-0.4030 ( 11039 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4889 -16.4889 -16.4882 -16.4882 -16.4800 -16.4800 -16.4788 -16.4788 -16.4654 -16.4654 -16.4632 -16.4632 -8.0027 -8.0027 -7.6501 -7.6501 -7.2101 -7.2101 -7.1633 -7.1633 -7.0118 -7.0118 -6.8590 -6.8590 -4.9964 -4.9964 -4.5173 -4.5173 0.6903 0.6903 0.9317 0.9317 1.1046 1.1046 1.3751 1.3751 1.6493 1.6493 1.9447 1.9447 2.2137 2.2137 2.3685 2.3685 2.8456 2.8456 2.9142 2.9142 3.3471 3.3471 3.4677 3.4677 3.6024 3.6024 3.8022 3.8022 4.0113 4.0113 4.1652 4.1652 4.4773 4.4773 4.5854 4.5854 6.4749 6.4749 6.6561 6.6561 7.8524 7.8524 8.0110 8.0110 8.4723 8.4723 8.5757 8.5757 9.5367 9.5367 k = 0.5666 0.2964-0.3851 ( 11035 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4881 -16.4881 -16.4801 -16.4801 -16.4787 -16.4787 -16.4654 -16.4654 -16.4632 -16.4632 -8.0053 -8.0053 -7.6458 -7.6458 -7.2279 -7.2279 -7.1606 -7.1606 -6.9943 -6.9943 -6.8596 -6.8596 -5.0081 -5.0081 -4.5084 -4.5084 0.6769 0.6769 0.9153 0.9153 1.1248 1.1248 1.3622 1.3622 1.6703 1.6703 1.9543 1.9543 2.2103 2.2103 2.3952 2.3952 2.8402 2.8402 2.9180 2.9180 3.3331 3.3331 3.4809 3.4809 3.5859 3.5859 3.7956 3.7956 3.9963 3.9963 4.1630 4.1630 4.4614 4.4614 4.5826 4.5826 6.4848 6.4848 6.6756 6.6756 7.8550 7.8550 8.0306 8.0306 8.4564 8.4564 8.5664 8.5664 9.5634 9.5634 k = 0.5799 0.3034-0.3673 ( 11047 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4880 -16.4880 -16.4802 -16.4802 -16.4787 -16.4787 -16.4654 -16.4654 -16.4631 -16.4631 -8.0088 -8.0088 -7.6406 -7.6406 -7.2452 -7.2452 -7.1571 -7.1571 -6.9773 -6.9773 -6.8603 -6.8603 -5.0215 -5.0215 -4.4984 -4.4984 0.6616 0.6616 0.9008 0.9008 1.1421 1.1421 1.3495 1.3495 1.6949 1.6949 1.9634 1.9634 2.2099 2.2099 2.4240 2.4240 2.8346 2.8346 2.9215 2.9215 3.3184 3.3184 3.4877 3.4877 3.5725 3.5725 3.7939 3.7939 3.9774 3.9774 4.1568 4.1568 4.4441 4.4441 4.5789 4.5789 6.4975 6.4975 6.6969 6.6969 7.8602 7.8602 8.0511 8.0511 8.4369 8.4369 8.5561 8.5561 9.5955 9.5955 k = 0.5932 0.3103-0.3494 ( 11051 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4879 -16.4879 -16.4802 -16.4802 -16.4787 -16.4787 -16.4655 -16.4655 -16.4631 -16.4631 -8.0134 -8.0134 -7.6343 -7.6343 -7.2614 -7.2614 -7.1530 -7.1530 -6.9614 -6.9614 -6.8608 -6.8608 -5.0364 -5.0364 -4.4877 -4.4877 0.6449 0.6449 0.8882 0.8882 1.1551 1.1551 1.3384 1.3384 1.7223 1.7223 1.9715 1.9715 2.2127 2.2127 2.4546 2.4546 2.8288 2.8288 2.9246 2.9246 3.3026 3.3026 3.4827 3.4827 3.5701 3.5701 3.7963 3.7963 3.9552 3.9552 4.1469 4.1469 4.4256 4.4256 4.5746 4.5746 6.5120 6.5120 6.7197 6.7197 7.8682 7.8682 8.0717 8.0717 8.4145 8.4145 8.5449 8.5449 9.6328 9.6328 k = 0.6066 0.3173-0.3315 ( 11047 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4878 -16.4878 -16.4803 -16.4803 -16.4786 -16.4786 -16.4655 -16.4655 -16.4631 -16.4631 -8.0190 -8.0190 -7.6271 -7.6271 -7.2761 -7.2761 -7.1484 -7.1484 -6.9469 -6.9469 -6.8611 -6.8611 -5.0523 -5.0523 -4.4767 -4.4767 0.6271 0.6271 0.8778 0.8778 1.1625 1.1625 1.3305 1.3305 1.7513 1.7513 1.9789 1.9789 2.2185 2.2185 2.4860 2.4860 2.8229 2.8229 2.9273 2.9273 3.2857 3.2857 3.4677 3.4677 3.5787 3.5787 3.8013 3.8013 3.9306 3.9306 4.1342 4.1342 4.4062 4.4062 4.5699 4.5699 6.5271 6.5271 6.7439 6.7439 7.8789 7.8789 8.0913 8.0913 8.3898 8.3898 8.5330 8.5330 9.6750 9.6750 k = 0.6199 0.3243-0.3136 ( 11052 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4877 -16.4877 -16.4804 -16.4804 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0260 -8.0260 -7.6189 -7.6189 -7.2889 -7.2889 -7.1431 -7.1431 -6.9343 -6.9343 -6.8608 -6.8608 -5.0692 -5.0692 -4.4656 -4.4656 0.6087 0.6087 0.8696 0.8696 1.1634 1.1634 1.3268 1.3268 1.7800 1.7800 1.9867 1.9867 2.2269 2.2269 2.5175 2.5175 2.8166 2.8166 2.9296 2.9296 3.2683 3.2683 3.4496 3.4496 3.5924 3.5924 3.8070 3.8070 3.9054 3.9054 4.1200 4.1200 4.3860 4.3860 4.5650 4.5650 6.5413 6.5413 6.7696 6.7696 7.8918 7.8918 8.1090 8.1090 8.3641 8.3641 8.5205 8.5205 9.7217 9.7217 k = 0.6332 0.3312-0.2958 ( 11048 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4875 -16.4875 -16.4805 -16.4805 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0345 -8.0345 -7.6096 -7.6096 -7.2996 -7.2996 -7.1373 -7.1373 -6.9239 -6.9239 -6.8597 -6.8597 -5.0867 -5.0867 -4.4549 -4.4549 0.5898 0.5898 0.8638 0.8638 1.1581 1.1581 1.3274 1.3274 1.8054 1.8054 1.9971 1.9971 2.2373 2.2373 2.5480 2.5480 2.8099 2.8099 2.9318 2.9318 3.2517 3.2517 3.4322 3.4322 3.6074 3.6074 3.8104 3.8104 3.8825 3.8825 4.1060 4.1060 4.3652 4.3652 4.5601 4.5601 6.5535 6.5535 6.7967 6.7967 7.9063 7.9063 8.1237 8.1237 8.3392 8.3392 8.5074 8.5074 9.7725 9.7725 k = 0.6332 0.3312-0.2958 ( 11048 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4875 -16.4875 -16.4805 -16.4805 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0345 -8.0345 -7.6096 -7.6096 -7.2996 -7.2996 -7.1373 -7.1373 -6.9239 -6.9239 -6.8597 -6.8597 -5.0867 -5.0867 -4.4549 -4.4549 0.5898 0.5898 0.8638 0.8638 1.1581 1.1581 1.3274 1.3274 1.8054 1.8054 1.9971 1.9971 2.2373 2.2373 2.5480 2.5480 2.8099 2.8099 2.9318 2.9318 3.2517 3.2517 3.4322 3.4322 3.6074 3.6074 3.8104 3.8104 3.8825 3.8825 4.1060 4.1060 4.3652 4.3652 4.5601 4.5601 6.5535 6.5535 6.7967 6.7967 7.9063 7.9063 8.1237 8.1237 8.3392 8.3392 8.5074 8.5074 9.7725 9.7725 k = 0.6266 0.3278-0.2720 ( 11054 PWs) bands (ev): -19.4570 -19.4570 -19.4556 -19.4556 -19.4532 -19.4532 -19.4527 -19.4527 -16.4893 -16.4893 -16.4873 -16.4873 -16.4807 -16.4807 -16.4785 -16.4785 -16.4658 -16.4658 -16.4629 -16.4629 -8.0513 -8.0513 -7.5803 -7.5803 -7.3175 -7.3175 -7.1327 -7.1327 -6.9176 -6.9176 -6.8570 -6.8570 -5.1152 -5.1152 -4.4314 -4.4314 0.5928 0.5928 0.8478 0.8478 1.1470 1.1470 1.3416 1.3416 1.8357 1.8357 2.0068 2.0068 2.2264 2.2264 2.5418 2.5418 2.8006 2.8006 2.9333 2.9333 3.2478 3.2478 3.4241 3.4241 3.6056 3.6056 3.8010 3.8010 3.8673 3.8673 4.0989 4.0989 4.3504 4.3504 4.5632 4.5632 6.5507 6.5507 6.8336 6.8336 7.9134 7.9134 8.1270 8.1270 8.3372 8.3372 8.5276 8.5276 9.8234 9.8234 k = 0.6199 0.3243-0.2483 ( 11052 PWs) bands (ev): -19.4570 -19.4570 -19.4555 -19.4555 -19.4532 -19.4532 -19.4527 -19.4527 -16.4893 -16.4893 -16.4870 -16.4870 -16.4810 -16.4810 -16.4785 -16.4785 -16.4659 -16.4659 -16.4628 -16.4628 -8.0703 -8.0703 -7.5473 -7.5473 -7.3349 -7.3349 -7.1274 -7.1274 -6.9118 -6.9118 -6.8544 -6.8544 -5.1460 -5.1460 -4.4081 -4.4081 0.5958 0.5958 0.8348 0.8348 1.1341 1.1341 1.3535 1.3535 1.8596 1.8596 2.0175 2.0175 2.2166 2.2166 2.5393 2.5393 2.7868 2.7868 2.9411 2.9411 3.2412 3.2412 3.4145 3.4145 3.6039 3.6039 3.7907 3.7907 3.8584 3.8584 4.0953 4.0953 4.3336 4.3336 4.5661 4.5661 6.5447 6.5447 6.8737 6.8737 7.9172 7.9172 8.1303 8.1303 8.3363 8.3363 8.5468 8.5468 9.8819 9.8819 k = 0.6132 0.3208-0.2246 ( 11045 PWs) bands (ev): -19.4571 -19.4571 -19.4555 -19.4555 -19.4532 -19.4532 -19.4527 -19.4527 -16.4893 -16.4893 -16.4867 -16.4867 -16.4812 -16.4812 -16.4785 -16.4785 -16.4660 -16.4660 -16.4627 -16.4627 -8.0905 -8.0905 -7.5117 -7.5117 -7.3516 -7.3516 -7.1213 -7.1213 -6.9064 -6.9064 -6.8520 -6.8520 -5.1786 -5.1786 -4.3852 -4.3852 0.5984 0.5984 0.8253 0.8253 1.1203 1.1203 1.3627 1.3627 1.8735 1.8735 2.0290 2.0290 2.2118 2.2118 2.5397 2.5397 2.7699 2.7699 2.9532 2.9532 3.2320 3.2320 3.4038 3.4038 3.6006 3.6006 3.7790 3.7790 3.8592 3.8592 4.0953 4.0953 4.3147 4.3147 4.5690 4.5690 6.5356 6.5356 6.9160 6.9160 7.9167 7.9167 8.1329 8.1329 8.3375 8.3375 8.5652 8.5652 9.9475 9.9475 k = 0.6066 0.3173-0.2009 ( 11031 PWs) bands (ev): -19.4571 -19.4571 -19.4554 -19.4554 -19.4533 -19.4533 -19.4527 -19.4527 -16.4893 -16.4893 -16.4864 -16.4864 -16.4815 -16.4815 -16.4785 -16.4785 -16.4662 -16.4662 -16.4626 -16.4626 -8.1112 -8.1112 -7.4747 -7.4747 -7.3672 -7.3672 -7.1146 -7.1146 -6.9014 -6.9014 -6.8499 -6.8499 -5.2126 -5.2126 -4.3630 -4.3630 0.6006 0.6006 0.8195 0.8195 1.1060 1.1060 1.3693 1.3693 1.8761 1.8761 2.0380 2.0380 2.2164 2.2164 2.5423 2.5423 2.7517 2.7517 2.9669 2.9669 3.2210 3.2210 3.3920 3.3920 3.5949 3.5949 3.7659 3.7659 3.8714 3.8714 4.0988 4.0988 4.2937 4.2937 4.5720 4.5720 6.5236 6.5236 6.9596 6.9596 7.9112 7.9112 8.1333 8.1333 8.3419 8.3419 8.5835 8.5835 10.0193 10.0193 k = 0.5999 0.3138-0.1771 ( 11031 PWs) bands (ev): -19.4572 -19.4572 -19.4553 -19.4553 -19.4533 -19.4533 -19.4526 -19.4526 -16.4893 -16.4893 -16.4861 -16.4861 -16.4817 -16.4817 -16.4785 -16.4785 -16.4663 -16.4663 -16.4625 -16.4625 -8.1317 -8.1317 -7.4384 -7.4384 -7.3804 -7.3804 -7.1072 -7.1072 -6.8967 -6.8967 -6.8483 -6.8483 -5.2476 -5.2476 -4.3417 -4.3417 0.6024 0.6024 0.8176 0.8176 1.0916 1.0916 1.3733 1.3733 1.8691 1.8691 2.0402 2.0402 2.2332 2.2332 2.5464 2.5464 2.7339 2.7339 2.9793 2.9793 3.2101 3.2101 3.3794 3.3794 3.5862 3.5862 3.7529 3.7529 3.8941 3.8941 4.1051 4.1051 4.2710 4.2710 4.5753 4.5753 6.5087 6.5087 7.0038 7.0038 7.9007 7.9007 8.1296 8.1296 8.3505 8.3505 8.6024 8.6024 10.0962 10.0962 k = 0.5932 0.3103-0.1534 ( 11023 PWs) bands (ev): -19.4572 -19.4572 -19.4552 -19.4552 -19.4534 -19.4534 -19.4526 -19.4526 -16.4892 -16.4892 -16.4858 -16.4858 -16.4820 -16.4820 -16.4785 -16.4785 -16.4665 -16.4665 -16.4624 -16.4624 -8.1518 -8.1518 -7.4147 -7.4147 -7.3793 -7.3793 -7.0993 -7.0993 -6.8924 -6.8924 -6.8472 -6.8472 -5.2833 -5.2833 -4.3215 -4.3215 0.6037 0.6037 0.8196 0.8196 1.0772 1.0772 1.3749 1.3749 1.8551 1.8551 2.0343 2.0343 2.2606 2.2606 2.5515 2.5515 2.7180 2.7180 2.9874 2.9874 3.2016 3.2016 3.3665 3.3665 3.5744 3.5744 3.7421 3.7421 3.9252 3.9252 4.1133 4.1133 4.2473 4.2473 4.5791 4.5791 6.4910 6.4910 7.0480 7.0480 7.8853 7.8853 8.1207 8.1207 8.3634 8.3634 8.6223 8.6223 10.1765 10.1765 k = 0.5866 0.3068-0.1297 ( 11031 PWs) bands (ev): -19.4573 -19.4573 -19.4551 -19.4551 -19.4534 -19.4534 -19.4526 -19.4526 -16.4892 -16.4892 -16.4855 -16.4855 -16.4823 -16.4823 -16.4785 -16.4785 -16.4666 -16.4666 -16.4623 -16.4623 -8.1712 -8.1712 -7.4201 -7.4201 -7.3483 -7.3483 -7.0908 -7.0908 -6.8884 -6.8884 -6.8467 -6.8467 -5.3193 -5.3193 -4.3026 -4.3026 0.6047 0.6047 0.8253 0.8253 1.0633 1.0633 1.3743 1.3743 1.8362 1.8362 2.0218 2.0218 2.2945 2.2945 2.5571 2.5571 2.7053 2.7053 2.9888 2.9888 3.1972 3.1972 3.3541 3.3541 3.5593 3.5593 3.7349 3.7349 3.9619 3.9619 4.1219 4.1219 4.2247 4.2247 4.5838 4.5838 6.4706 6.4706 7.0919 7.0919 7.8654 7.8654 8.1064 8.1064 8.3799 8.3799 8.6436 8.6436 10.2579 10.2579 k = 0.5799 0.3034-0.1060 ( 11035 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4534 -19.4534 -19.4526 -19.4526 -16.4891 -16.4891 -16.4852 -16.4852 -16.4826 -16.4826 -16.4786 -16.4786 -16.4667 -16.4667 -16.4623 -16.4623 -8.1896 -8.1896 -7.4318 -7.4318 -7.3102 -7.3102 -7.0820 -7.0820 -6.8848 -6.8848 -6.8470 -6.8470 -5.3553 -5.3553 -4.2849 -4.2849 0.6057 0.6057 0.8341 0.8341 1.0501 1.0501 1.3715 1.3715 1.8141 1.8141 2.0044 2.0044 2.3314 2.3314 2.5630 2.5630 2.6967 2.6967 2.9831 2.9831 3.1963 3.1963 3.3430 3.3430 3.5421 3.5421 3.7314 3.7314 4.0007 4.0007 4.1284 4.1284 4.2073 4.2073 4.5896 4.5896 6.4476 6.4476 7.1350 7.1350 7.8415 7.8415 8.0876 8.0876 8.3986 8.3986 8.6664 8.6664 10.3359 10.3359 k = 0.5733 0.2999-0.0822 ( 11030 PWs) bands (ev): -19.4573 -19.4573 -19.4550 -19.4550 -19.4535 -19.4535 -19.4526 -19.4526 -16.4890 -16.4890 -16.4849 -16.4849 -16.4829 -16.4829 -16.4786 -16.4786 -16.4669 -16.4669 -16.4622 -16.4622 -8.2069 -8.2069 -7.4438 -7.4438 -7.2714 -7.2714 -7.0727 -7.0727 -6.8816 -6.8816 -6.8479 -6.8479 -5.3908 -5.3908 -4.2686 -4.2686 0.6068 0.6068 0.8457 0.8457 1.0380 1.0380 1.3666 1.3666 1.7901 1.7901 1.9833 1.9833 2.3689 2.3689 2.5691 2.5691 2.6932 2.6932 2.9718 2.9718 3.1960 3.1960 3.3336 3.3336 3.5248 3.5248 3.7311 3.7311 4.0337 4.0337 4.1330 4.1330 4.2016 4.2016 4.5964 4.5964 6.4221 6.4221 7.1771 7.1771 7.8139 7.8139 8.0656 8.0656 8.4181 8.4181 8.6905 8.6905 10.4028 10.4028 k = 0.5666 0.2964-0.0585 ( 11026 PWs) bands (ev): -19.4574 -19.4574 -19.4549 -19.4549 -19.4535 -19.4535 -19.4527 -19.4527 -16.4888 -16.4888 -16.4846 -16.4846 -16.4832 -16.4832 -16.4787 -16.4787 -16.4670 -16.4670 -16.4621 -16.4621 -8.2230 -8.2230 -7.4552 -7.4552 -7.2332 -7.2332 -7.0633 -7.0633 -6.8788 -6.8788 -6.8495 -6.8495 -5.4255 -5.4255 -4.2536 -4.2536 0.6081 0.6081 0.8596 0.8596 1.0273 1.0273 1.3599 1.3599 1.7647 1.7647 1.9594 1.9594 2.4056 2.4056 2.5752 2.5752 2.6953 2.6953 2.9575 2.9575 3.1930 3.1930 3.3250 3.3250 3.5106 3.5106 3.7326 3.7326 4.0446 4.0446 4.1491 4.1491 4.2093 4.2093 4.6045 4.6045 6.3942 6.3942 7.2178 7.2178 7.7832 7.7832 8.0417 8.0417 8.4375 8.4375 8.7151 8.7151 10.4482 10.4482 k = 0.5599 0.2929-0.0348 ( 11029 PWs) bands (ev): -19.4574 -19.4574 -19.4548 -19.4548 -19.4536 -19.4536 -19.4527 -19.4527 -16.4887 -16.4887 -16.4844 -16.4844 -16.4834 -16.4834 -16.4788 -16.4788 -16.4671 -16.4671 -16.4621 -16.4621 -8.2378 -8.2378 -7.4658 -7.4658 -7.1962 -7.1962 -7.0536 -7.0536 -6.8766 -6.8766 -6.8517 -6.8517 -5.4590 -5.4590 -4.2401 -4.2401 0.6097 0.6097 0.8752 0.8752 1.0184 1.0184 1.3516 1.3516 1.7386 1.7386 1.9338 1.9338 2.4404 2.4404 2.5809 2.5809 2.7034 2.7034 2.9426 2.9426 3.1853 3.1853 3.3143 3.3143 3.5028 3.5028 3.7347 3.7347 4.0308 4.0308 4.1802 4.1802 4.2290 4.2290 4.6136 4.6136 6.3644 6.3644 7.2570 7.2570 7.7501 7.7501 8.0174 8.0174 8.4559 8.4559 8.7397 8.7397 10.4672 10.4672 k = 0.5533 0.2894-0.0110 ( 11038 PWs) bands (ev): -19.4574 -19.4574 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4885 -16.4885 -16.4843 -16.4843 -16.4835 -16.4835 -16.4789 -16.4789 -16.4672 -16.4672 -16.4620 -16.4620 -8.2512 -8.2512 -7.4754 -7.4754 -7.1607 -7.1607 -7.0439 -7.0439 -6.8749 -6.8749 -6.8545 -6.8545 -5.4909 -5.4909 -4.2280 -4.2280 0.6114 0.6114 0.8918 0.8918 1.0118 1.0118 1.3418 1.3418 1.7120 1.7120 1.9077 1.9077 2.4725 2.4725 2.5861 2.5861 2.7173 2.7173 2.9290 2.9290 3.1727 3.1727 3.2987 3.2987 3.5032 3.5032 3.7361 3.7361 4.0073 4.0073 4.2081 4.2081 4.2632 4.2632 4.6235 4.6235 6.3330 6.3330 7.2943 7.2943 7.7156 7.7156 7.9934 7.9934 8.4729 8.4729 8.7634 8.7634 10.4656 10.4656 k = 0.5466 0.2859 0.0127 ( 11036 PWs) bands (ev): -19.4575 -19.4575 -19.4547 -19.4547 -19.4536 -19.4536 -19.4527 -19.4527 -16.4883 -16.4883 -16.4844 -16.4844 -16.4834 -16.4834 -16.4790 -16.4790 -16.4673 -16.4673 -16.4620 -16.4620 -8.2631 -8.2631 -7.4840 -7.4840 -7.1274 -7.1274 -7.0343 -7.0343 -6.8738 -6.8738 -6.8578 -6.8578 -5.5206 -5.5206 -4.2174 -4.2174 0.6132 0.6132 0.9088 0.9088 1.0080 1.0080 1.3307 1.3307 1.6853 1.6853 1.8821 1.8821 2.5013 2.5013 2.5907 2.5907 2.7366 2.7366 2.9183 2.9183 3.1559 3.1559 3.2779 3.2779 3.5108 3.5108 3.7359 3.7359 3.9823 3.9823 4.2280 4.2280 4.3083 4.3083 4.6342 4.6342 6.3008 6.3008 7.3296 7.3296 7.6809 7.6809 7.9704 7.9704 8.4883 8.4883 8.7856 8.7856 10.4525 10.4525 k = 0.5400 0.2825 0.0364 ( 11034 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4536 -19.4536 -19.4527 -19.4527 -16.4882 -16.4882 -16.4847 -16.4847 -16.4832 -16.4832 -16.4792 -16.4792 -16.4674 -16.4674 -16.4619 -16.4619 -8.2736 -8.2736 -7.4916 -7.4916 -7.0967 -7.0967 -7.0248 -7.0248 -6.8735 -6.8735 -6.8614 -6.8614 -5.5478 -5.5478 -4.2082 -4.2082 0.6150 0.6150 0.9248 0.9248 1.0078 1.0078 1.3186 1.3186 1.6589 1.6589 1.8582 1.8582 2.5263 2.5263 2.5949 2.5949 2.7605 2.7605 2.9118 2.9118 3.1353 3.1353 3.2534 3.2534 3.5231 3.5231 3.7332 3.7332 3.9593 3.9593 4.2440 4.2440 4.3558 4.3558 4.6452 4.6452 6.2684 6.2684 7.3625 7.3625 7.6470 7.6470 7.9490 7.9490 8.5018 8.5018 8.8056 8.8056 10.4341 10.4341 k = 0.5333 0.2790 0.0601 ( 11037 PWs) bands (ev): -19.4575 -19.4575 -19.4546 -19.4546 -19.4537 -19.4537 -19.4527 -19.4527 -16.4879 -16.4879 -16.4850 -16.4850 -16.4830 -16.4830 -16.4793 -16.4793 -16.4675 -16.4675 -16.4619 -16.4619 -8.2824 -8.2824 -7.4980 -7.4980 -7.0692 -7.0692 -7.0157 -7.0157 -6.8741 -6.8741 -6.8651 -6.8651 -5.5719 -5.5719 -4.2004 -4.2004 0.6166 0.6166 0.9384 0.9384 1.0120 1.0120 1.3057 1.3057 1.6338 1.6338 1.8369 1.8369 2.5469 2.5469 2.5986 2.5986 2.7880 2.7880 2.9103 2.9103 3.1112 3.1112 3.2272 3.2272 3.5374 3.5374 3.7275 3.7275 3.9401 3.9401 4.2577 4.2577 4.4011 4.4011 4.6562 4.6562 6.2372 6.2372 7.3927 7.3927 7.6153 7.6153 7.9296 7.9296 8.5135 8.5135 8.8230 8.8230 10.4143 10.4143 k = 0.5266 0.2755 0.0839 ( 11034 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4877 -16.4877 -16.4853 -16.4853 -16.4827 -16.4827 -16.4794 -16.4794 -16.4675 -16.4675 -16.4619 -16.4619 -8.2898 -8.2898 -7.5033 -7.5033 -7.0457 -7.0457 -7.0068 -7.0068 -6.8756 -6.8756 -6.8685 -6.8685 -5.5924 -5.5924 -4.1941 -4.1941 0.6179 0.6179 0.9484 0.9484 1.0207 1.0207 1.2926 1.2926 1.6107 1.6107 1.8189 1.8189 2.5629 2.5629 2.6017 2.6017 2.8179 2.8179 2.9140 2.9140 3.0843 3.0843 3.2008 3.2008 3.5518 3.5518 3.7193 3.7193 3.9255 3.9255 4.2693 4.2693 4.4413 4.4413 4.6670 4.6670 6.2084 6.2084 7.4200 7.4200 7.5866 7.5866 7.9125 7.9125 8.5231 8.5231 8.8374 8.8374 10.3957 10.3957 k = 0.5200 0.2720 0.1076 ( 11034 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4875 -16.4875 -16.4855 -16.4855 -16.4825 -16.4825 -16.4795 -16.4795 -16.4676 -16.4676 -16.4618 -16.4618 -8.2955 -8.2955 -7.5075 -7.5075 -7.0271 -7.0271 -6.9983 -6.9983 -6.8780 -6.8780 -6.8713 -6.8713 -5.6090 -5.6090 -4.1892 -4.1892 0.6189 0.6189 0.9549 0.9549 1.0324 1.0324 1.2800 1.2800 1.5910 1.5910 1.8047 1.8047 2.5749 2.5749 2.6039 2.6039 2.8492 2.8492 2.9223 2.9223 3.0550 3.0550 3.1759 3.1759 3.5650 3.5650 3.7096 3.7096 3.9154 3.9154 4.2786 4.2786 4.4745 4.4745 4.6769 4.6769 6.1836 6.1836 7.4440 7.4440 7.5616 7.5616 7.8982 7.8982 8.5307 8.5307 8.8488 8.8488 10.3797 10.3797 k = 0.5133 0.2685 0.1313 ( 11039 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4873 -16.4873 -16.4858 -16.4858 -16.4824 -16.4824 -16.4796 -16.4796 -16.4676 -16.4676 -16.4618 -16.4618 -8.2996 -8.2996 -7.5104 -7.5104 -7.0144 -7.0144 -6.9904 -6.9904 -6.8805 -6.8805 -6.8734 -6.8734 -5.6211 -5.6211 -4.1857 -4.1857 0.6196 0.6196 0.9588 0.9588 1.0442 1.0442 1.2689 1.2689 1.5759 1.5759 1.7944 1.7944 2.5833 2.5833 2.6048 2.6048 2.8810 2.8810 2.9329 2.9329 3.0245 3.0245 3.1544 3.1544 3.5759 3.5759 3.7003 3.7003 3.9090 3.9090 4.2855 4.2855 4.4990 4.4990 4.6851 4.6851 6.1644 6.1644 7.4647 7.4647 7.5404 7.5404 7.8874 7.8874 8.5362 8.5362 8.8569 8.8569 10.3676 10.3676 k = 0.5067 0.2650 0.1550 ( 11055 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4871 -16.4871 -16.4860 -16.4860 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3020 -8.3020 -7.5122 -7.5122 -7.0074 -7.0074 -6.9842 -6.9842 -6.8825 -6.8825 -6.8749 -6.8749 -5.6286 -5.6286 -4.1836 -4.1836 0.6200 0.6200 0.9608 0.9608 1.0530 1.0530 1.2612 1.2612 1.5664 1.5664 1.7882 1.7882 2.5887 2.5887 2.6047 2.6047 2.9110 2.9110 2.9422 2.9422 2.9950 2.9950 3.1390 3.1390 3.5833 3.5833 3.6934 3.6934 3.9056 3.9056 4.2897 4.2897 4.5138 4.5138 4.6907 4.6907 6.1522 6.1522 7.4818 7.4818 7.5232 7.5232 7.8806 7.8806 8.5395 8.5395 8.8618 8.8618 10.3600 10.3600 k = 0.5000 0.2616 0.1788 ( 11086 PWs) bands (ev): -19.4575 -19.4575 -19.4545 -19.4545 -19.4537 -19.4537 -19.4527 -19.4527 -16.4870 -16.4870 -16.4861 -16.4861 -16.4823 -16.4823 -16.4797 -16.4797 -16.4676 -16.4676 -16.4618 -16.4618 -8.3028 -8.3028 -7.5128 -7.5128 -7.0052 -7.0052 -6.9819 -6.9819 -6.8833 -6.8833 -6.8754 -6.8754 -5.6310 -5.6310 -4.1829 -4.1829 0.6201 0.6201 0.9615 0.9615 1.0563 1.0563 1.2583 1.2583 1.5631 1.5631 1.7861 1.7861 2.5907 2.5907 2.6044 2.6044 2.9283 2.9283 2.9460 2.9460 2.9780 2.9780 3.1334 3.1334 3.5860 3.5860 3.6908 3.6908 3.9045 3.9045 4.2912 4.2912 4.5188 4.5188 4.6927 4.6927 6.1481 6.1481 7.4909 7.4909 7.5140 7.5140 7.8783 7.8783 8.5406 8.5406 8.8634 8.8634 10.3575 10.3575 k = 0.5000-0.3471-0.2373 ( 11024 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0880 -8.0880 -7.7307 -7.7307 -7.0587 -7.0587 -7.0334 -7.0334 -6.9520 -6.9520 -6.9072 -6.9072 -5.0643 -5.0643 -4.6224 -4.6224 0.2792 0.2792 0.8883 0.8883 1.2344 1.2344 1.2637 1.2637 1.6485 1.6485 2.1065 2.1065 2.4682 2.4682 2.6032 2.6032 2.9881 2.9881 3.2367 3.2367 3.2570 3.2570 3.4900 3.4900 3.7155 3.7155 3.7247 3.7247 3.9418 3.9418 4.1508 4.1508 4.3271 4.3271 4.4792 4.4792 6.5306 6.5306 6.7217 6.7217 7.7296 7.7296 7.8616 7.8616 8.2949 8.2949 8.3707 8.3707 10.4061 10.4061 k = 0.5157-0.3318-0.2267 ( 11032 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0875 -8.0875 -7.7302 -7.7302 -7.0608 -7.0608 -7.0339 -7.0339 -6.9537 -6.9537 -6.9042 -6.9042 -5.0644 -5.0644 -4.6213 -4.6213 0.2805 0.2805 0.8894 0.8894 1.2305 1.2305 1.2659 1.2659 1.6486 1.6486 2.1083 2.1083 2.4633 2.4633 2.6084 2.6084 2.9859 2.9859 3.2239 3.2239 3.2680 3.2680 3.4867 3.4867 3.7034 3.7034 3.7408 3.7408 3.9407 3.9407 4.1501 4.1501 4.3253 4.3253 4.4781 4.4781 6.5319 6.5319 6.7238 6.7238 7.7313 7.7313 7.8641 7.8641 8.2926 8.2926 8.3710 8.3710 10.3981 10.3981 k = 0.5313-0.3164-0.2162 ( 11016 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4887 -16.4887 -16.4885 -16.4885 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0862 -8.0862 -7.7287 -7.7287 -7.0668 -7.0668 -7.0363 -7.0363 -6.9570 -6.9570 -6.8972 -6.8972 -5.0648 -5.0648 -4.6181 -4.6181 0.2845 0.2845 0.8928 0.8928 1.2213 1.2213 1.2700 1.2700 1.6492 1.6492 2.1134 2.1134 2.4506 2.4506 2.6219 2.6219 2.9794 2.9794 3.2039 3.2039 3.2829 3.2829 3.4778 3.4778 3.6910 3.6910 3.7645 3.7645 3.9380 3.9380 4.1477 4.1477 4.3197 4.3197 4.4750 4.4750 6.5359 6.5359 6.7300 6.7300 7.7364 7.7364 7.8715 7.8715 8.2861 8.2861 8.3717 8.3717 10.3756 10.3756 k = 0.5470-0.3010-0.2057 ( 11020 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4884 -16.4884 -16.4799 -16.4799 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0841 -8.0841 -7.7262 -7.7262 -7.0759 -7.0759 -7.0415 -7.0415 -6.9589 -6.9589 -6.8887 -6.8887 -5.0655 -5.0655 -4.6129 -4.6129 0.2910 0.2910 0.8981 0.8981 1.2096 1.2096 1.2736 1.2736 1.6504 1.6504 2.1210 2.1210 2.4340 2.4340 2.6398 2.6398 2.9691 2.9691 3.1827 3.1827 3.2946 3.2946 3.4653 3.4653 3.6807 3.6807 3.7903 3.7903 3.9355 3.9355 4.1430 4.1430 4.3107 4.3107 4.4709 4.4709 6.5421 6.5421 6.7395 6.7395 7.7453 7.7453 7.8835 7.8835 8.2762 8.2762 8.3720 8.3720 10.3422 10.3422 k = 0.5627-0.2856-0.1952 ( 11031 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4884 -16.4884 -16.4800 -16.4800 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0812 -8.0812 -7.7228 -7.7228 -7.0879 -7.0879 -7.0493 -7.0493 -6.9582 -6.9582 -6.8803 -6.8803 -5.0663 -5.0663 -4.6058 -4.6058 0.3001 0.3001 0.9051 0.9051 1.1969 1.1969 1.2756 1.2756 1.6527 1.6527 2.1297 2.1297 2.4167 2.4167 2.6592 2.6592 2.9555 2.9555 3.1609 3.1609 3.3019 3.3019 3.4516 3.4516 3.6717 3.6717 3.8147 3.8147 3.9364 3.9364 4.1354 4.1354 4.2986 4.2986 4.4668 4.4668 6.5499 6.5499 6.7514 6.7514 7.7581 7.7581 7.9000 7.9000 8.2641 8.2641 8.3715 8.3715 10.3014 10.3014 k = 0.5784-0.2702-0.1847 ( 11032 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4888 -16.4888 -16.4883 -16.4883 -16.4800 -16.4800 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0776 -8.0776 -7.7184 -7.7184 -7.1026 -7.1026 -7.0583 -7.0583 -6.9552 -6.9552 -6.8727 -6.8727 -5.0673 -5.0673 -4.5971 -4.5971 0.3117 0.3117 0.9132 0.9132 1.1840 1.1840 1.2759 1.2759 1.6564 1.6564 2.1377 2.1377 2.4011 2.4011 2.6780 2.6780 2.9396 2.9396 3.1380 3.1380 3.3042 3.3042 3.4382 3.4382 3.6637 3.6637 3.8328 3.8328 3.9450 3.9450 4.1246 4.1246 4.2841 4.2841 4.4639 4.4639 6.5587 6.5587 6.7645 6.7645 7.7750 7.7750 7.9204 7.9204 8.2508 8.2508 8.3698 8.3698 10.2560 10.2560 k = 0.5940-0.2548-0.1742 ( 11052 PWs) bands (ev): -19.4568 -19.4568 -19.4559 -19.4559 -19.4530 -19.4530 -19.4528 -19.4528 -16.4889 -16.4889 -16.4883 -16.4883 -16.4800 -16.4800 -16.4788 -16.4788 -16.4653 -16.4653 -16.4632 -16.4632 -8.0733 -8.0733 -7.7131 -7.7131 -7.1198 -7.1198 -7.0676 -7.0676 -6.9509 -6.9509 -6.8663 -6.8663 -5.0684 -5.0684 -4.5869 -4.5869 0.3258 0.3258 0.9215 0.9215 1.1719 1.1719 1.2748 1.2748 1.6619 1.6619 2.1430 2.1430 2.3887 2.3887 2.6947 2.6947 2.9230 2.9230 3.1136 3.1136 3.3020 3.3020 3.4257 3.4257 3.6572 3.6572 3.8413 3.8413 3.9631 3.9631 4.1112 4.1112 4.2686 4.2686 4.4629 4.4629 6.5676 6.5676 6.7776 6.7776 7.7960 7.7960 7.9441 7.9441 8.2374 8.2374 8.3668 8.3668 10.2079 10.2079 k = 0.6097-0.2394-0.1637 ( 11047 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4889 -16.4889 -16.4882 -16.4882 -16.4800 -16.4800 -16.4787 -16.4787 -16.4654 -16.4654 -16.4632 -16.4632 -8.0685 -8.0685 -7.7069 -7.7069 -7.1389 -7.1389 -7.0765 -7.0765 -6.9458 -6.9458 -6.8612 -6.8612 -5.0695 -5.0695 -4.5755 -4.5755 0.3422 0.3422 0.9291 0.9291 1.1615 1.1615 1.2726 1.2726 1.6693 1.6693 2.1437 2.1437 2.3806 2.3806 2.7078 2.7078 2.9068 2.9068 3.0876 3.0876 3.2961 3.2961 3.4141 3.4141 3.6527 3.6527 3.8417 3.8417 3.9866 3.9866 4.0963 4.0963 4.2538 4.2538 4.4640 4.4640 6.5761 6.5761 6.7895 6.7895 7.8208 7.8208 7.9699 7.9699 8.2255 8.2255 8.3626 8.3626 10.1588 10.1588 k = 0.6254-0.2241-0.1531 ( 11051 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4881 -16.4881 -16.4801 -16.4801 -16.4787 -16.4787 -16.4654 -16.4654 -16.4632 -16.4632 -8.0633 -8.0633 -7.7000 -7.7000 -7.1592 -7.1592 -7.0848 -7.0848 -6.9404 -6.9404 -6.8576 -6.8576 -5.0707 -5.0707 -4.5632 -4.5632 0.3609 0.3609 0.9347 0.9347 1.1536 1.1536 1.2701 1.2701 1.6787 1.6787 2.1387 2.1387 2.3765 2.3765 2.7161 2.7161 2.8917 2.8917 3.0609 3.0609 3.2870 3.2870 3.4034 3.4034 3.6506 3.6506 3.8378 3.8378 4.0070 4.0070 4.0832 4.0832 4.2425 4.2425 4.4674 4.4674 6.5835 6.5835 6.7994 6.7994 7.8484 7.8484 7.9963 7.9963 8.2168 8.2168 8.3576 8.3576 10.1097 10.1097 k = 0.6410-0.2087-0.1426 ( 11053 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4881 -16.4881 -16.4801 -16.4801 -16.4787 -16.4787 -16.4654 -16.4654 -16.4632 -16.4632 -8.0578 -8.0578 -7.6922 -7.6922 -7.1800 -7.1800 -7.0927 -7.0927 -6.9349 -6.9349 -6.8553 -6.8553 -5.0719 -5.0719 -4.5503 -4.5503 0.3817 0.3817 0.9372 0.9372 1.1490 1.1490 1.2681 1.2681 1.6900 1.6900 2.1282 2.1282 2.3748 2.3748 2.7194 2.7194 2.8774 2.8774 3.0353 3.0353 3.2751 3.2751 3.3945 3.3945 3.6506 3.6506 3.8319 3.8319 4.0134 4.0134 4.0780 4.0780 4.2378 4.2378 4.4730 4.4730 6.5892 6.5892 6.8067 6.8067 7.8772 7.8772 8.0215 8.0215 8.2137 8.2137 8.3527 8.3527 10.0614 10.0614 k = 0.6567-0.1933-0.1321 ( 11050 PWs) bands (ev): -19.4568 -19.4568 -19.4558 -19.4558 -19.4530 -19.4530 -19.4528 -19.4528 -16.4890 -16.4890 -16.4880 -16.4880 -16.4802 -16.4802 -16.4787 -16.4787 -16.4654 -16.4654 -16.4631 -16.4631 -8.0523 -8.0523 -7.6838 -7.6838 -7.2006 -7.2006 -7.1001 -7.1001 -6.9298 -6.9298 -6.8543 -6.8543 -5.0731 -5.0731 -4.5370 -4.5370 0.4044 0.4044 0.9358 0.9358 1.1477 1.1477 1.2674 1.2674 1.7034 1.7034 2.1133 2.1133 2.3728 2.3728 2.7183 2.7183 2.8619 2.8619 3.0133 3.0133 3.2609 3.2609 3.3885 3.3885 3.6522 3.6522 3.8257 3.8257 4.0024 4.0024 4.0810 4.0810 4.2423 4.2423 4.4806 4.4806 6.5930 6.5930 6.8111 6.8111 7.9043 7.9043 8.0442 8.0442 8.2178 8.2178 8.3493 8.3493 10.0147 10.0147 k = 0.6724-0.1779-0.1216 ( 11062 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4530 -19.4530 -19.4527 -19.4527 -16.4891 -16.4891 -16.4880 -16.4880 -16.4802 -16.4802 -16.4787 -16.4787 -16.4654 -16.4654 -16.4631 -16.4631 -8.0470 -8.0470 -7.6747 -7.6747 -7.2206 -7.2206 -7.1070 -7.1070 -6.9252 -6.9252 -6.8544 -6.8544 -5.0744 -5.0744 -4.5237 -4.5237 0.4288 0.4288 0.9305 0.9305 1.1489 1.1489 1.2690 1.2690 1.7185 1.7185 2.0954 2.0954 2.3673 2.3673 2.7137 2.7137 2.8438 2.8438 2.9961 2.9961 3.2461 3.2461 3.3861 3.3861 3.6541 3.6541 3.8203 3.8203 3.9821 3.9821 4.0842 4.0842 4.2558 4.2558 4.4902 4.4902 6.5945 6.5945 6.8127 6.8127 7.9256 7.9256 8.0654 8.0654 8.2283 8.2283 8.3500 8.3500 9.9701 9.9701 k = 0.6881-0.1625-0.1111 ( 11061 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4879 -16.4879 -16.4802 -16.4802 -16.4787 -16.4787 -16.4655 -16.4655 -16.4631 -16.4631 -8.0421 -8.0421 -7.6651 -7.6651 -7.2394 -7.2394 -7.1133 -7.1133 -6.9214 -6.9214 -6.8553 -6.8553 -5.0758 -5.0758 -4.5105 -4.5105 0.4547 0.4547 0.9219 0.9219 1.1514 1.1514 1.2736 1.2736 1.7351 1.7351 2.0758 2.0758 2.3564 2.3564 2.7051 2.7051 2.8249 2.8249 2.9828 2.9828 3.2333 3.2333 3.3871 3.3871 3.6551 3.6551 3.8168 3.8168 3.9582 3.9582 4.0855 4.0855 4.2750 4.2750 4.5013 4.5013 6.5937 6.5937 6.8120 6.8120 7.9376 7.9376 8.0876 8.0876 8.2414 8.2414 8.3585 8.3585 9.9282 9.9282 k = 0.7037-0.1471-0.1006 ( 11054 PWs) bands (ev): -19.4569 -19.4569 -19.4558 -19.4558 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4878 -16.4878 -16.4803 -16.4803 -16.4787 -16.4787 -16.4655 -16.4655 -16.4631 -16.4631 -8.0379 -8.0379 -7.6550 -7.6550 -7.2564 -7.2564 -7.1192 -7.1192 -6.9187 -6.9187 -6.8567 -6.8567 -5.0773 -5.0773 -4.4977 -4.4977 0.4816 0.4816 0.9111 0.9111 1.1539 1.1539 1.2814 1.2814 1.7527 1.7527 2.0557 2.0557 2.3393 2.3393 2.6893 2.6893 2.8102 2.8102 2.9711 2.9711 3.2250 3.2250 3.3914 3.3914 3.6536 3.6536 3.8156 3.8156 3.9332 3.9332 4.0864 4.0864 4.2961 4.2961 4.5136 4.5136 6.5904 6.5904 6.8096 6.8096 7.9400 7.9400 8.1100 8.1100 8.2540 8.2540 8.3772 8.3772 9.8894 9.8894 k = 0.7194-0.1317-0.0900 ( 11055 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4891 -16.4891 -16.4877 -16.4877 -16.4803 -16.4803 -16.4786 -16.4786 -16.4655 -16.4655 -16.4631 -16.4631 -8.0347 -8.0347 -7.6443 -7.6443 -7.2714 -7.2714 -7.1246 -7.1246 -6.9173 -6.9173 -6.8582 -6.8582 -5.0791 -5.0791 -4.4855 -4.4855 0.5091 0.5091 0.8990 0.8990 1.1556 1.1556 1.2918 1.2918 1.7705 1.7705 2.0365 2.0365 2.3165 2.3165 2.6636 2.6636 2.8037 2.8037 2.9594 2.9594 3.2230 3.2230 3.3985 3.3985 3.6486 3.6486 3.8168 3.8168 3.9094 3.9094 4.0885 4.0885 4.3166 4.3166 4.5265 4.5265 6.5846 6.5846 6.8062 6.8062 7.9354 7.9354 8.1277 8.1277 8.2680 8.2680 8.4049 8.4049 9.8541 9.8541 k = 0.7351-0.1164-0.0795 ( 11063 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4877 -16.4877 -16.4804 -16.4804 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0329 -8.0329 -7.6332 -7.6332 -7.2838 -7.2838 -7.1294 -7.1294 -6.9176 -6.9176 -6.8594 -6.8594 -5.0812 -5.0812 -4.4742 -4.4742 0.5368 0.5368 0.8865 0.8865 1.1567 1.1567 1.3038 1.3038 1.7868 1.7868 2.0194 2.0194 2.2900 2.2900 2.6293 2.6293 2.8040 2.8040 2.9479 2.9479 3.2273 3.2273 3.4081 3.4081 3.6392 3.6392 3.8188 3.8188 3.8899 3.8899 4.0926 4.0926 4.3352 4.3352 4.5391 4.5391 6.5764 6.5764 6.8024 6.8024 7.9269 7.9269 8.1355 8.1355 8.2876 8.2876 8.4378 8.4378 9.8227 9.8227 k = 0.7507-0.1010-0.0690 ( 11056 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4876 -16.4876 -16.4805 -16.4805 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0327 -8.0327 -7.6217 -7.6217 -7.2932 -7.2932 -7.1337 -7.1337 -6.9199 -6.9199 -6.8599 -6.8599 -5.0837 -5.0837 -4.4639 -4.4639 0.5640 0.5640 0.8746 0.8746 1.1574 1.1574 1.3161 1.3161 1.7993 1.7993 2.0059 2.0059 2.2624 2.2624 2.5898 2.5898 2.8072 2.8072 2.9381 2.9381 3.2373 3.2373 3.4196 3.4196 3.6253 3.6253 3.8175 3.8175 3.8798 3.8798 4.0986 4.0986 4.3515 4.3515 4.5505 4.5505 6.5659 6.5659 6.7991 6.7991 7.9168 7.9168 8.1332 8.1332 8.3126 8.3126 8.4726 8.4726 9.7954 9.7954 k = 0.7664-0.0856-0.0585 ( 11048 PWs) bands (ev): -19.4569 -19.4569 -19.4557 -19.4557 -19.4531 -19.4531 -19.4527 -19.4527 -16.4892 -16.4892 -16.4875 -16.4875 -16.4805 -16.4805 -16.4786 -16.4786 -16.4656 -16.4656 -16.4630 -16.4630 -8.0345 -8.0345 -7.6096 -7.6096 -7.2996 -7.2996 -7.1373 -7.1373 -6.9239 -6.9239 -6.8597 -6.8597 -5.0867 -5.0867 -4.4549 -4.4549 0.5898 0.5898 0.8638 0.8638 1.1581 1.1581 1.3274 1.3274 1.8054 1.8054 1.9971 1.9971 2.2373 2.2373 2.5480 2.5480 2.8099 2.8099 2.9318 2.9318 3.2517 3.2517 3.4322 3.4322 3.6074 3.6074 3.8104 3.8104 3.8825 3.8825 4.1060 4.1060 4.3652 4.3652 4.5601 4.5601 6.5535 6.5535 6.7967 6.7967 7.9063 7.9063 8.1237 8.1237 8.3392 8.3392 8.5074 8.5074 9.7725 9.7725 Writing output data file BiI3.save init_run : 4.98s CPU 11.52s WALL ( 1 calls) electrons : 1697.65s CPU 1707.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 1697.63s CPU 1707.43s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.95s WALL ( 1 calls) v_h : 0.10s CPU 0.34s WALL ( 1 calls) v_xc : 0.08s CPU 0.49s WALL ( 1 calls) newd : 1.74s CPU 1.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.24s WALL ( 194 calls) cegterg : 1613.04s CPU 1620.14s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 892.45s CPU 901.48s WALL ( 9755 calls) s_psi : 85.39s CPU 85.63s WALL ( 9755 calls) g_psi : 1.48s CPU 1.52s WALL ( 9028 calls) cdiaghg : 452.01s CPU 450.48s WALL ( 9222 calls) cegterg:over : 106.91s CPU 104.45s WALL ( 9028 calls) cegterg:upda : 48.11s CPU 50.25s WALL ( 9028 calls) cegterg:last : 34.06s CPU 34.39s WALL ( 1115 calls) Called by h_psi: h_psi:vloc : 730.37s CPU 737.29s WALL ( 9755 calls) h_psi:vnl : 160.86s CPU 162.46s WALL ( 9755 calls) add_vuspsi : 69.01s CPU 72.12s WALL ( 9755 calls) General routines calbec : 91.79s CPU 90.20s WALL ( 9755 calls) fft : 0.13s CPU 1.04s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 604.24s CPU 601.10s WALL ( 1092032 calls) interpolate : 0.03s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 1.40s WALL ( 388 calls) Parallel routines fft_scatter : 354.83s CPU 348.47s WALL ( 1092055 calls) PWSCF : 29m38.97s CPU 31m48.90s WALL This run was terminated on: 17:30:36 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=