Program PWSCF v.5.1.1 starts on 11Oct2015 at 23:35:57 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: ./KIO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 39 25 7 1272 683 109 Max 40 26 8 1275 696 114 Sum 1877 1241 369 61097 33203 5335 bravais-lattice index = 14 lattice parameter (alat) = 8.5297 a.u. unit-cell volume = 620.4189 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.529729 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.013673 celldm(5)= 0.013673 celldm(6)= 0.013673 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.013673 0.999907 0.000000 ) a(3) = ( 0.013673 0.013487 0.999816 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.013674 -0.013491 ) b(2) = ( 0.000000 1.000093 -0.013491 ) b(3) = ( 0.000000 0.000000 1.000184 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) I 7.00 126.90450 I( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0142857 -0.0001953 -0.0001927), wk = 0.0034483 k( 3) = ( 0.0285714 -0.0003907 -0.0003855), wk = 0.0034483 k( 4) = ( 0.0428571 -0.0005860 -0.0005782), wk = 0.0034483 k( 5) = ( 0.0571429 -0.0007814 -0.0007709), wk = 0.0034483 k( 6) = ( 0.0714286 -0.0009767 -0.0009637), wk = 0.0034483 k( 7) = ( 0.0857143 -0.0011721 -0.0011564), wk = 0.0034483 k( 8) = ( 0.1000000 -0.0013674 -0.0013491), wk = 0.0034483 k( 9) = ( 0.1142857 -0.0015628 -0.0015418), wk = 0.0034483 k( 10) = ( 0.1285714 -0.0017581 -0.0017346), wk = 0.0034483 k( 11) = ( 0.1428571 -0.0019535 -0.0019273), wk = 0.0034483 k( 12) = ( 0.1571429 -0.0021488 -0.0021200), wk = 0.0034483 k( 13) = ( 0.1714286 -0.0023442 -0.0023128), wk = 0.0034483 k( 14) = ( 0.1857143 -0.0025395 -0.0025055), wk = 0.0034483 k( 15) = ( 0.2000000 -0.0027349 -0.0026982), wk = 0.0034483 k( 16) = ( 0.2142857 -0.0029302 -0.0028910), wk = 0.0034483 k( 17) = ( 0.2285714 -0.0031256 -0.0030837), wk = 0.0034483 k( 18) = ( 0.2428571 -0.0033209 -0.0032764), wk = 0.0034483 k( 19) = ( 0.2571429 -0.0035163 -0.0034691), wk = 0.0034483 k( 20) = ( 0.2714286 -0.0037116 -0.0036619), wk = 0.0034483 k( 21) = ( 0.2857143 -0.0039070 -0.0038546), wk = 0.0034483 k( 22) = ( 0.3000000 -0.0041023 -0.0040473), wk = 0.0034483 k( 23) = ( 0.3142857 -0.0042976 -0.0042401), wk = 0.0034483 k( 24) = ( 0.3285714 -0.0044930 -0.0044328), wk = 0.0034483 k( 25) = ( 0.3428571 -0.0046883 -0.0046255), wk = 0.0034483 k( 26) = ( 0.3571429 -0.0048837 -0.0048183), wk = 0.0034483 k( 27) = ( 0.3714286 -0.0050790 -0.0050110), wk = 0.0034483 k( 28) = ( 0.3857143 -0.0052744 -0.0052037), wk = 0.0034483 k( 29) = ( 0.4000000 -0.0054697 -0.0053964), wk = 0.0034483 k( 30) = ( 0.4142857 -0.0056651 -0.0055892), wk = 0.0034483 k( 31) = ( 0.4285714 -0.0058604 -0.0057819), wk = 0.0034483 k( 32) = ( 0.4428571 -0.0060558 -0.0059746), wk = 0.0034483 k( 33) = ( 0.4571429 -0.0062511 -0.0061674), wk = 0.0034483 k( 34) = ( 0.4714286 -0.0064465 -0.0063601), wk = 0.0034483 k( 35) = ( 0.4857143 -0.0066418 -0.0065528), wk = 0.0034483 k( 36) = ( 0.5000000 -0.0068372 -0.0067456), wk = 0.0034483 k( 37) = ( 0.5000000 -0.0068372 -0.0067456), wk = 0.0034483 k( 38) = ( 0.5000000 0.0030962 -0.0168139), wk = 0.0034483 k( 39) = ( 0.5000000 0.0130296 -0.0268822), wk = 0.0034483 k( 40) = ( 0.5000000 0.0229630 -0.0369505), wk = 0.0034483 k( 41) = ( 0.5000000 0.0328964 -0.0470188), wk = 0.0034483 k( 42) = ( 0.5000000 0.0428298 -0.0570871), wk = 0.0034483 k( 43) = ( 0.5000000 0.0527632 -0.0671554), wk = 0.0034483 k( 44) = ( 0.5000000 0.0626966 -0.0772237), wk = 0.0034483 k( 45) = ( 0.5000000 0.0726300 -0.0872920), wk = 0.0034483 k( 46) = ( 0.5000000 0.0825634 -0.0973603), wk = 0.0034483 k( 47) = ( 0.5000000 0.0924968 -0.1074286), wk = 0.0034483 k( 48) = ( 0.5000000 0.1024302 -0.1174969), wk = 0.0034483 k( 49) = ( 0.5000000 0.1123636 -0.1275652), wk = 0.0034483 k( 50) = ( 0.5000000 0.1222970 -0.1376334), wk = 0.0034483 k( 51) = ( 0.5000000 0.1322304 -0.1477018), wk = 0.0034483 k( 52) = ( 0.5000000 0.1421638 -0.1577701), wk = 0.0034483 k( 53) = ( 0.5000000 0.1520972 -0.1678384), wk = 0.0034483 k( 54) = ( 0.5000000 0.1620306 -0.1779066), wk = 0.0034483 k( 55) = ( 0.5000000 0.1719640 -0.1879749), wk = 0.0034483 k( 56) = ( 0.5000000 0.1818974 -0.1980433), wk = 0.0034483 k( 57) = ( 0.5000000 0.1918308 -0.2081116), wk = 0.0034483 k( 58) = ( 0.5000000 0.2017641 -0.2181798), wk = 0.0034483 k( 59) = ( 0.5000000 0.2116975 -0.2282481), wk = 0.0034483 k( 60) = ( 0.5000000 0.2216309 -0.2383165), wk = 0.0034483 k( 61) = ( 0.5000000 0.2315643 -0.2483847), wk = 0.0034483 k( 62) = ( 0.5000000 0.2414977 -0.2584530), wk = 0.0034483 k( 63) = ( 0.5000000 0.2514311 -0.2685213), wk = 0.0034483 k( 64) = ( 0.5000000 0.2613645 -0.2785897), wk = 0.0034483 k( 65) = ( 0.5000000 0.2712979 -0.2886579), wk = 0.0034483 k( 66) = ( 0.5000000 0.2812313 -0.2987262), wk = 0.0034483 k( 67) = ( 0.5000000 0.2911647 -0.3087945), wk = 0.0034483 k( 68) = ( 0.5000000 0.3010981 -0.3188629), wk = 0.0034483 k( 69) = ( 0.5000000 0.3110315 -0.3289311), wk = 0.0034483 k( 70) = ( 0.5000000 0.3209649 -0.3389994), wk = 0.0034483 k( 71) = ( 0.5000000 0.3308983 -0.3490677), wk = 0.0034483 k( 72) = ( 0.5000000 0.3408317 -0.3591360), wk = 0.0034483 k( 73) = ( 0.5000000 0.3507651 -0.3692043), wk = 0.0034483 k( 74) = ( 0.5000000 0.3606985 -0.3792726), wk = 0.0034483 k( 75) = ( 0.5000000 0.3706319 -0.3893409), wk = 0.0034483 k( 76) = ( 0.5000000 0.3805653 -0.3994092), wk = 0.0034483 k( 77) = ( 0.5000000 0.3904987 -0.4094775), wk = 0.0034483 k( 78) = ( 0.5000000 0.4004321 -0.4195458), wk = 0.0034483 k( 79) = ( 0.5000000 0.4103655 -0.4296141), wk = 0.0034483 k( 80) = ( 0.5000000 0.4202989 -0.4396824), wk = 0.0034483 k( 81) = ( 0.5000000 0.4302323 -0.4497507), wk = 0.0034483 k( 82) = ( 0.5000000 0.4401656 -0.4598190), wk = 0.0034483 k( 83) = ( 0.5000000 0.4500990 -0.4698873), wk = 0.0034483 k( 84) = ( 0.5000000 0.4600324 -0.4799556), wk = 0.0034483 k( 85) = ( 0.5000000 0.4699658 -0.4900239), wk = 0.0034483 k( 86) = ( 0.5000000 0.4798992 -0.5000922), wk = 0.0034483 k( 87) = ( 0.5133091 0.4930276 0.4731100), wk = 0.0034483 k( 88) = ( 0.5066546 0.4931186 0.4798556), wk = 0.0034483 k( 89) = ( 0.5000000 0.4932096 0.4866011), wk = 0.0034483 k( 90) = ( 0.5000000 0.4932096 0.4866011), wk = 0.0034483 k( 91) = ( 0.4916667 0.4849894 0.4784911), wk = 0.0034483 k( 92) = ( 0.4833333 0.4767693 0.4703811), wk = 0.0034483 k( 93) = ( 0.4750000 0.4685491 0.4622711), wk = 0.0034483 k( 94) = ( 0.4666667 0.4603289 0.4541611), wk = 0.0034483 k( 95) = ( 0.4583333 0.4521088 0.4460510), wk = 0.0034483 k( 96) = ( 0.4500000 0.4438886 0.4379410), wk = 0.0034483 k( 97) = ( 0.4416667 0.4356685 0.4298310), wk = 0.0034483 k( 98) = ( 0.4333333 0.4274483 0.4217210), wk = 0.0034483 k( 99) = ( 0.4250000 0.4192281 0.4136110), wk = 0.0034483 k( 100) = ( 0.4166667 0.4110080 0.4055009), wk = 0.0034483 k( 101) = ( 0.4083333 0.4027878 0.3973909), wk = 0.0034483 k( 102) = ( 0.4000000 0.3945677 0.3892809), wk = 0.0034483 k( 103) = ( 0.3916667 0.3863475 0.3811709), wk = 0.0034483 k( 104) = ( 0.3833333 0.3781273 0.3730609), wk = 0.0034483 k( 105) = ( 0.3750000 0.3699072 0.3649508), wk = 0.0034483 k( 106) = ( 0.3666667 0.3616870 0.3568408), wk = 0.0034483 k( 107) = ( 0.3583333 0.3534669 0.3487308), wk = 0.0034483 k( 108) = ( 0.3500000 0.3452467 0.3406208), wk = 0.0034483 k( 109) = ( 0.3416667 0.3370265 0.3325108), wk = 0.0034483 k( 110) = ( 0.3333333 0.3288064 0.3244007), wk = 0.0034483 k( 111) = ( 0.3250000 0.3205862 0.3162907), wk = 0.0034483 k( 112) = ( 0.3166667 0.3123661 0.3081807), wk = 0.0034483 k( 113) = ( 0.3083333 0.3041459 0.3000707), wk = 0.0034483 k( 114) = ( 0.3000000 0.2959257 0.2919607), wk = 0.0034483 k( 115) = ( 0.2916667 0.2877056 0.2838507), wk = 0.0034483 k( 116) = ( 0.2833333 0.2794854 0.2757406), wk = 0.0034483 k( 117) = ( 0.2750000 0.2712653 0.2676306), wk = 0.0034483 k( 118) = ( 0.2666667 0.2630451 0.2595206), wk = 0.0034483 k( 119) = ( 0.2583333 0.2548249 0.2514106), wk = 0.0034483 k( 120) = ( 0.2500000 0.2466048 0.2433006), wk = 0.0034483 k( 121) = ( 0.2416667 0.2383846 0.2351905), wk = 0.0034483 k( 122) = ( 0.2333333 0.2301645 0.2270805), wk = 0.0034483 k( 123) = ( 0.2250000 0.2219443 0.2189705), wk = 0.0034483 k( 124) = ( 0.2166667 0.2137242 0.2108605), wk = 0.0034483 k( 125) = ( 0.2083333 0.2055040 0.2027505), wk = 0.0034483 k( 126) = ( 0.2000000 0.1972838 0.1946405), wk = 0.0034483 k( 127) = ( 0.1916667 0.1890637 0.1865304), wk = 0.0034483 k( 128) = ( 0.1833333 0.1808435 0.1784204), wk = 0.0034483 k( 129) = ( 0.1750000 0.1726234 0.1703104), wk = 0.0034483 k( 130) = ( 0.1666667 0.1644032 0.1622004), wk = 0.0034483 k( 131) = ( 0.1583333 0.1561830 0.1540904), wk = 0.0034483 k( 132) = ( 0.1500000 0.1479629 0.1459803), wk = 0.0034483 k( 133) = ( 0.1416667 0.1397427 0.1378703), wk = 0.0034483 k( 134) = ( 0.1333333 0.1315226 0.1297603), wk = 0.0034483 k( 135) = ( 0.1250000 0.1233024 0.1216503), wk = 0.0034483 k( 136) = ( 0.1166667 0.1150822 0.1135403), wk = 0.0034483 k( 137) = ( 0.1083333 0.1068621 0.1054302), wk = 0.0034483 k( 138) = ( 0.1000000 0.0986419 0.0973202), wk = 0.0034483 k( 139) = ( 0.0916667 0.0904218 0.0892102), wk = 0.0034483 k( 140) = ( 0.0833333 0.0822016 0.0811002), wk = 0.0034483 k( 141) = ( 0.0750000 0.0739814 0.0729902), wk = 0.0034483 k( 142) = ( 0.0666667 0.0657613 0.0648802), wk = 0.0034483 k( 143) = ( 0.0583333 0.0575411 0.0567701), wk = 0.0034483 k( 144) = ( 0.0500000 0.0493210 0.0486601), wk = 0.0034483 k( 145) = ( 0.0416667 0.0411008 0.0405501), wk = 0.0034483 k( 146) = ( 0.0333333 0.0328806 0.0324401), wk = 0.0034483 k( 147) = ( 0.0250000 0.0246605 0.0243301), wk = 0.0034483 k( 148) = ( 0.0166667 0.0164403 0.0162200), wk = 0.0034483 k( 149) = ( 0.0083333 0.0082202 0.0081100), wk = 0.0034483 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 152) = ( 0.0100683 -0.0001377 -0.0102060), wk = 0.0034483 k( 153) = ( 0.0201365 -0.0002754 -0.0204119), wk = 0.0034483 k( 154) = ( 0.0302048 -0.0004130 -0.0306179), wk = 0.0034483 k( 155) = ( 0.0402731 -0.0005507 -0.0408239), wk = 0.0034483 k( 156) = ( 0.0503414 -0.0006884 -0.0510298), wk = 0.0034483 k( 157) = ( 0.0604097 -0.0008261 -0.0612358), wk = 0.0034483 k( 158) = ( 0.0704779 -0.0009637 -0.0714417), wk = 0.0034483 k( 159) = ( 0.0805462 -0.0011014 -0.0816477), wk = 0.0034483 k( 160) = ( 0.0906145 -0.0012391 -0.0918537), wk = 0.0034483 k( 161) = ( 0.1006827 -0.0013768 -0.1020596), wk = 0.0034483 k( 162) = ( 0.1107510 -0.0015144 -0.1122656), wk = 0.0034483 k( 163) = ( 0.1208193 -0.0016521 -0.1224716), wk = 0.0034483 k( 164) = ( 0.1308876 -0.0017898 -0.1326775), wk = 0.0034483 k( 165) = ( 0.1409558 -0.0019275 -0.1428835), wk = 0.0034483 k( 166) = ( 0.1510241 -0.0020652 -0.1530895), wk = 0.0034483 k( 167) = ( 0.1610924 -0.0022028 -0.1632954), wk = 0.0034483 k( 168) = ( 0.1711607 -0.0023405 -0.1735014), wk = 0.0034483 k( 169) = ( 0.1812289 -0.0024782 -0.1837074), wk = 0.0034483 k( 170) = ( 0.1912972 -0.0026159 -0.1939133), wk = 0.0034483 k( 171) = ( 0.2013655 -0.0027535 -0.2041193), wk = 0.0034483 k( 172) = ( 0.2114338 -0.0028912 -0.2143252), wk = 0.0034483 k( 173) = ( 0.2215020 -0.0030289 -0.2245312), wk = 0.0034483 k( 174) = ( 0.2315703 -0.0031666 -0.2347372), wk = 0.0034483 k( 175) = ( 0.2416386 -0.0033042 -0.2449431), wk = 0.0034483 k( 176) = ( 0.2517069 -0.0034419 -0.2551491), wk = 0.0034483 k( 177) = ( 0.2617751 -0.0035796 -0.2653551), wk = 0.0034483 k( 178) = ( 0.2718434 -0.0037173 -0.2755610), wk = 0.0034483 k( 179) = ( 0.2819117 -0.0038550 -0.2857670), wk = 0.0034483 k( 180) = ( 0.2919800 -0.0039926 -0.2959730), wk = 0.0034483 k( 181) = ( 0.3020482 -0.0041303 -0.3061789), wk = 0.0034483 k( 182) = ( 0.3121165 -0.0042680 -0.3163849), wk = 0.0034483 k( 183) = ( 0.3221848 -0.0044057 -0.3265908), wk = 0.0034483 k( 184) = ( 0.3322531 -0.0045433 -0.3367968), wk = 0.0034483 k( 185) = ( 0.3423213 -0.0046810 -0.3470028), wk = 0.0034483 k( 186) = ( 0.3523896 -0.0048187 -0.3572087), wk = 0.0034483 k( 187) = ( 0.3624579 -0.0049564 -0.3674147), wk = 0.0034483 k( 188) = ( 0.3725262 -0.0050940 -0.3776207), wk = 0.0034483 k( 189) = ( 0.3825944 -0.0052317 -0.3878266), wk = 0.0034483 k( 190) = ( 0.3926627 -0.0053694 -0.3980326), wk = 0.0034483 k( 191) = ( 0.4027310 -0.0055071 -0.4082386), wk = 0.0034483 k( 192) = ( 0.4127993 -0.0056448 -0.4184445), wk = 0.0034483 k( 193) = ( 0.4228675 -0.0057824 -0.4286505), wk = 0.0034483 k( 194) = ( 0.4329358 -0.0059201 -0.4388565), wk = 0.0034483 k( 195) = ( 0.4430041 -0.0060578 -0.4490624), wk = 0.0034483 k( 196) = ( 0.4530724 -0.0061955 -0.4592684), wk = 0.0034483 k( 197) = ( 0.4631406 -0.0063331 -0.4694743), wk = 0.0034483 k( 198) = ( 0.4732089 -0.0064708 -0.4796803), wk = 0.0034483 k( 199) = ( 0.4832772 -0.0066085 -0.4898863), wk = 0.0034483 k( 200) = ( 0.4933455 -0.0067462 -0.5000922), wk = 0.0034483 k( 201) = ( 0.5066546 0.4864634 -0.0134911), wk = 0.0034483 k( 202) = ( 0.5000000 0.4932096 -0.0134911), wk = 0.0034483 k( 203) = ( 0.5000000 0.4932096 -0.0134911), wk = 0.0034483 k( 204) = ( 0.5001957 0.4934026 0.0008207), wk = 0.0034483 k( 205) = ( 0.5003914 0.4935957 0.0151325), wk = 0.0034483 k( 206) = ( 0.5005872 0.4937888 0.0294443), wk = 0.0034483 k( 207) = ( 0.5007829 0.4939818 0.0437561), wk = 0.0034483 k( 208) = ( 0.5009786 0.4941749 0.0580679), wk = 0.0034483 k( 209) = ( 0.5011743 0.4943680 0.0723797), wk = 0.0034483 k( 210) = ( 0.5013701 0.4945610 0.0866915), wk = 0.0034483 k( 211) = ( 0.5015658 0.4947541 0.1010033), wk = 0.0034483 k( 212) = ( 0.5017615 0.4949472 0.1153151), wk = 0.0034483 k( 213) = ( 0.5019572 0.4951402 0.1296269), wk = 0.0034483 k( 214) = ( 0.5021529 0.4953333 0.1439387), wk = 0.0034483 k( 215) = ( 0.5023487 0.4955264 0.1582505), wk = 0.0034483 k( 216) = ( 0.5025444 0.4957194 0.1725623), wk = 0.0034483 k( 217) = ( 0.5027401 0.4959125 0.1868741), wk = 0.0034483 k( 218) = ( 0.5029358 0.4961055 0.2011859), wk = 0.0034483 k( 219) = ( 0.5031315 0.4962986 0.2154977), wk = 0.0034483 k( 220) = ( 0.5033273 0.4964917 0.2298095), wk = 0.0034483 k( 221) = ( 0.5035230 0.4966847 0.2441213), wk = 0.0034483 k( 222) = ( 0.5037187 0.4968778 0.2584330), wk = 0.0034483 k( 223) = ( 0.5039144 0.4970709 0.2727448), wk = 0.0034483 k( 224) = ( 0.5041102 0.4972639 0.2870566), wk = 0.0034483 k( 225) = ( 0.5043059 0.4974570 0.3013684), wk = 0.0034483 k( 226) = ( 0.5045016 0.4976501 0.3156802), wk = 0.0034483 k( 227) = ( 0.5046973 0.4978431 0.3299920), wk = 0.0034483 k( 228) = ( 0.5048930 0.4980362 0.3443038), wk = 0.0034483 k( 229) = ( 0.5050888 0.4982292 0.3586156), wk = 0.0034483 k( 230) = ( 0.5052845 0.4984223 0.3729274), wk = 0.0034483 k( 231) = ( 0.5054802 0.4986154 0.3872392), wk = 0.0034483 k( 232) = ( 0.5056759 0.4988084 0.4015510), wk = 0.0034483 k( 233) = ( 0.5058717 0.4990015 0.4158628), wk = 0.0034483 k( 234) = ( 0.5060674 0.4991946 0.4301746), wk = 0.0034483 k( 235) = ( 0.5062631 0.4993876 0.4444864), wk = 0.0034483 k( 236) = ( 0.5064588 0.4995807 0.4587982), wk = 0.0034483 k( 237) = ( 0.5066546 0.4997738 0.4731100), wk = 0.0034483 k( 238) = ( 0.5066546 0.4997738 0.4731100), wk = 0.0034483 k( 239) = ( 0.5033273 0.4964917 0.4798556), wk = 0.0034483 k( 240) = ( 0.5000000 0.4932096 0.4866011), wk = 0.0034483 k( 241) = ( 0.5000000 -0.0068372 -0.0067456), wk = 0.0034483 k( 242) = ( 0.5002716 0.0032283 0.0031851), wk = 0.0034483 k( 243) = ( 0.5005432 0.0132938 0.0131157), wk = 0.0034483 k( 244) = ( 0.5008148 0.0233593 0.0230463), wk = 0.0034483 k( 245) = ( 0.5010865 0.0334248 0.0329770), wk = 0.0034483 k( 246) = ( 0.5013581 0.0434903 0.0429076), wk = 0.0034483 k( 247) = ( 0.5016297 0.0535558 0.0528383), wk = 0.0034483 k( 248) = ( 0.5019013 0.0636213 0.0627689), wk = 0.0034483 k( 249) = ( 0.5021729 0.0736869 0.0726995), wk = 0.0034483 k( 250) = ( 0.5024445 0.0837523 0.0826302), wk = 0.0034483 k( 251) = ( 0.5027161 0.0938178 0.0925608), wk = 0.0034483 k( 252) = ( 0.5029878 0.1038834 0.1024914), wk = 0.0034483 k( 253) = ( 0.5032594 0.1139488 0.1124221), wk = 0.0034483 k( 254) = ( 0.5035310 0.1240144 0.1223527), wk = 0.0034483 k( 255) = ( 0.5038026 0.1340799 0.1322833), wk = 0.0034483 k( 256) = ( 0.5040742 0.1441454 0.1422140), wk = 0.0034483 k( 257) = ( 0.5043458 0.1542109 0.1521446), wk = 0.0034483 k( 258) = ( 0.5046174 0.1642764 0.1620752), wk = 0.0034483 k( 259) = ( 0.5048891 0.1743419 0.1720059), wk = 0.0034483 k( 260) = ( 0.5051607 0.1844074 0.1819365), wk = 0.0034483 k( 261) = ( 0.5054323 0.1944729 0.1918671), wk = 0.0034483 k( 262) = ( 0.5057039 0.2045384 0.2017978), wk = 0.0034483 k( 263) = ( 0.5059755 0.2146039 0.2117284), wk = 0.0034483 k( 264) = ( 0.5062471 0.2246694 0.2216591), wk = 0.0034483 k( 265) = ( 0.5065187 0.2347349 0.2315897), wk = 0.0034483 k( 266) = ( 0.5067904 0.2448004 0.2415203), wk = 0.0034483 k( 267) = ( 0.5070620 0.2548659 0.2514510), wk = 0.0034483 k( 268) = ( 0.5073336 0.2649314 0.2613816), wk = 0.0034483 k( 269) = ( 0.5076052 0.2749969 0.2713122), wk = 0.0034483 k( 270) = ( 0.5078768 0.2850624 0.2812429), wk = 0.0034483 k( 271) = ( 0.5081484 0.2951279 0.2911735), wk = 0.0034483 k( 272) = ( 0.5084200 0.3051934 0.3011041), wk = 0.0034483 k( 273) = ( 0.5086917 0.3152589 0.3110348), wk = 0.0034483 k( 274) = ( 0.5089633 0.3253244 0.3209654), wk = 0.0034483 k( 275) = ( 0.5092349 0.3353899 0.3308960), wk = 0.0034483 k( 276) = ( 0.5095065 0.3454554 0.3408267), wk = 0.0034483 k( 277) = ( 0.5097781 0.3555209 0.3507573), wk = 0.0034483 k( 278) = ( 0.5100497 0.3655864 0.3606879), wk = 0.0034483 k( 279) = ( 0.5103214 0.3756519 0.3706186), wk = 0.0034483 k( 280) = ( 0.5105930 0.3857174 0.3805492), wk = 0.0034483 k( 281) = ( 0.5108646 0.3957829 0.3904799), wk = 0.0034483 k( 282) = ( 0.5111362 0.4058484 0.4004105), wk = 0.0034483 k( 283) = ( 0.5114078 0.4159139 0.4103411), wk = 0.0034483 k( 284) = ( 0.5116794 0.4259794 0.4202718), wk = 0.0034483 k( 285) = ( 0.5119510 0.4360449 0.4302024), wk = 0.0034483 k( 286) = ( 0.5122227 0.4461104 0.4401330), wk = 0.0034483 k( 287) = ( 0.5124943 0.4561759 0.4500637), wk = 0.0034483 k( 288) = ( 0.5127659 0.4662414 0.4599943), wk = 0.0034483 k( 289) = ( 0.5130375 0.4763069 0.4699249), wk = 0.0034483 k( 290) = ( 0.5133091 0.4863724 0.4798556), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0034483 k( 3) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0034483 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0034483 k( 5) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0034483 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0034483 k( 7) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0034483 k( 8) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0034483 k( 9) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0034483 k( 10) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0034483 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0034483 k( 12) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0034483 k( 13) = ( 0.1714286 0.0000000 0.0000000), wk = 0.0034483 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0034483 k( 16) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0034483 k( 17) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0034483 k( 18) = ( 0.2428571 0.0000000 0.0000000), wk = 0.0034483 k( 19) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0034483 k( 20) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0034483 k( 21) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0034483 k( 22) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0034483 k( 23) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0034483 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0034483 k( 25) = ( 0.3428571 0.0000000 0.0000000), wk = 0.0034483 k( 26) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0034483 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3857143 0.0000000 0.0000000), wk = 0.0034483 k( 29) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0034483 k( 30) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0034483 k( 31) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0034483 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0034483 k( 34) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4857143 0.0000000 0.0000000), wk = 0.0034483 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 38) = ( 0.5000000 0.0099325 -0.0099325), wk = 0.0034483 k( 39) = ( 0.5000000 0.0198649 -0.0198649), wk = 0.0034483 k( 40) = ( 0.5000000 0.0297974 -0.0297974), wk = 0.0034483 k( 41) = ( 0.5000000 0.0397299 -0.0397299), wk = 0.0034483 k( 42) = ( 0.5000000 0.0496623 -0.0496623), wk = 0.0034483 k( 43) = ( 0.5000000 0.0595948 -0.0595948), wk = 0.0034483 k( 44) = ( 0.5000000 0.0695273 -0.0695273), wk = 0.0034483 k( 45) = ( 0.5000000 0.0794597 -0.0794597), wk = 0.0034483 k( 46) = ( 0.5000000 0.0893922 -0.0893922), wk = 0.0034483 k( 47) = ( 0.5000000 0.0993247 -0.0993247), wk = 0.0034483 k( 48) = ( 0.5000000 0.1092571 -0.1092571), wk = 0.0034483 k( 49) = ( 0.5000000 0.1191896 -0.1191896), wk = 0.0034483 k( 50) = ( 0.5000000 0.1291221 -0.1291221), wk = 0.0034483 k( 51) = ( 0.5000000 0.1390545 -0.1390545), wk = 0.0034483 k( 52) = ( 0.5000000 0.1489870 -0.1489870), wk = 0.0034483 k( 53) = ( 0.5000000 0.1589195 -0.1589195), wk = 0.0034483 k( 54) = ( 0.5000000 0.1688519 -0.1688519), wk = 0.0034483 k( 55) = ( 0.5000000 0.1787844 -0.1787844), wk = 0.0034483 k( 56) = ( 0.5000000 0.1887169 -0.1887169), wk = 0.0034483 k( 57) = ( 0.5000000 0.1986494 -0.1986494), wk = 0.0034483 k( 58) = ( 0.5000000 0.2085818 -0.2085818), wk = 0.0034483 k( 59) = ( 0.5000000 0.2185143 -0.2185143), wk = 0.0034483 k( 60) = ( 0.5000000 0.2284468 -0.2284468), wk = 0.0034483 k( 61) = ( 0.5000000 0.2383792 -0.2383792), wk = 0.0034483 k( 62) = ( 0.5000000 0.2483117 -0.2483117), wk = 0.0034483 k( 63) = ( 0.5000000 0.2582441 -0.2582441), wk = 0.0034483 k( 64) = ( 0.5000000 0.2681766 -0.2681766), wk = 0.0034483 k( 65) = ( 0.5000000 0.2781091 -0.2781091), wk = 0.0034483 k( 66) = ( 0.5000000 0.2880415 -0.2880415), wk = 0.0034483 k( 67) = ( 0.5000000 0.2979740 -0.2979740), wk = 0.0034483 k( 68) = ( 0.5000000 0.3079065 -0.3079065), wk = 0.0034483 k( 69) = ( 0.5000000 0.3178389 -0.3178390), wk = 0.0034483 k( 70) = ( 0.5000000 0.3277714 -0.3277714), wk = 0.0034483 k( 71) = ( 0.5000000 0.3377039 -0.3377039), wk = 0.0034483 k( 72) = ( 0.5000000 0.3476363 -0.3476363), wk = 0.0034483 k( 73) = ( 0.5000000 0.3575688 -0.3575688), wk = 0.0034483 k( 74) = ( 0.5000000 0.3675013 -0.3675013), wk = 0.0034483 k( 75) = ( 0.5000000 0.3774338 -0.3774338), wk = 0.0034483 k( 76) = ( 0.5000000 0.3873662 -0.3873662), wk = 0.0034483 k( 77) = ( 0.5000000 0.3972987 -0.3972987), wk = 0.0034483 k( 78) = ( 0.5000000 0.4072312 -0.4072312), wk = 0.0034483 k( 79) = ( 0.5000000 0.4171636 -0.4171636), wk = 0.0034483 k( 80) = ( 0.5000000 0.4270961 -0.4270961), wk = 0.0034483 k( 81) = ( 0.5000000 0.4370286 -0.4370286), wk = 0.0034483 k( 82) = ( 0.5000000 0.4469610 -0.4469610), wk = 0.0034483 k( 83) = ( 0.5000000 0.4568935 -0.4568935), wk = 0.0034483 k( 84) = ( 0.5000000 0.4668260 -0.4668260), wk = 0.0034483 k( 85) = ( 0.5000000 0.4767584 -0.4767584), wk = 0.0034483 k( 86) = ( 0.5000000 0.4866909 -0.4866909), wk = 0.0034483 k( 87) = ( 0.5133091 0.5000000 0.4866909), wk = 0.0034483 k( 88) = ( 0.5066546 0.5000000 0.4933455), wk = 0.0034483 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 91) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0034483 k( 92) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0034483 k( 93) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0034483 k( 94) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0034483 k( 95) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0034483 k( 96) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0034483 k( 97) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0034483 k( 98) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0034483 k( 99) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0034483 k( 100) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034483 k( 101) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0034483 k( 102) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034483 k( 103) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0034483 k( 104) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0034483 k( 105) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034483 k( 106) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0034483 k( 107) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0034483 k( 108) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0034483 k( 109) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0034483 k( 110) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 111) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0034483 k( 112) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0034483 k( 113) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0034483 k( 114) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034483 k( 115) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0034483 k( 116) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0034483 k( 117) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0034483 k( 118) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0034483 k( 119) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0034483 k( 120) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 121) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0034483 k( 122) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0034483 k( 123) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0034483 k( 124) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0034483 k( 125) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0034483 k( 126) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034483 k( 127) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0034483 k( 128) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0034483 k( 129) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0034483 k( 130) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034483 k( 131) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0034483 k( 132) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0034483 k( 133) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0034483 k( 134) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0034483 k( 135) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034483 k( 136) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0034483 k( 137) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0034483 k( 138) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034483 k( 139) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0034483 k( 140) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034483 k( 141) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0034483 k( 142) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0034483 k( 143) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0034483 k( 144) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0034483 k( 145) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0034483 k( 146) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0034483 k( 147) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0034483 k( 148) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0034483 k( 149) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0034483 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 152) = ( 0.0100683 -0.0000000 -0.0100683), wk = 0.0034483 k( 153) = ( 0.0201365 0.0000000 -0.0201365), wk = 0.0034483 k( 154) = ( 0.0302048 0.0000000 -0.0302048), wk = 0.0034483 k( 155) = ( 0.0402731 0.0000000 -0.0402731), wk = 0.0034483 k( 156) = ( 0.0503414 0.0000000 -0.0503414), wk = 0.0034483 k( 157) = ( 0.0604097 0.0000000 -0.0604097), wk = 0.0034483 k( 158) = ( 0.0704779 0.0000000 -0.0704779), wk = 0.0034483 k( 159) = ( 0.0805462 0.0000000 -0.0805462), wk = 0.0034483 k( 160) = ( 0.0906145 0.0000000 -0.0906145), wk = 0.0034483 k( 161) = ( 0.1006827 0.0000000 -0.1006827), wk = 0.0034483 k( 162) = ( 0.1107510 0.0000000 -0.1107510), wk = 0.0034483 k( 163) = ( 0.1208193 0.0000000 -0.1208193), wk = 0.0034483 k( 164) = ( 0.1308876 0.0000000 -0.1308876), wk = 0.0034483 k( 165) = ( 0.1409558 0.0000000 -0.1409558), wk = 0.0034483 k( 166) = ( 0.1510241 0.0000000 -0.1510241), wk = 0.0034483 k( 167) = ( 0.1610924 -0.0000000 -0.1610924), wk = 0.0034483 k( 168) = ( 0.1711607 -0.0000000 -0.1711607), wk = 0.0034483 k( 169) = ( 0.1812289 0.0000000 -0.1812289), wk = 0.0034483 k( 170) = ( 0.1912972 -0.0000000 -0.1912972), wk = 0.0034483 k( 171) = ( 0.2013655 0.0000000 -0.2013655), wk = 0.0034483 k( 172) = ( 0.2114338 0.0000000 -0.2114338), wk = 0.0034483 k( 173) = ( 0.2215020 0.0000000 -0.2215020), wk = 0.0034483 k( 174) = ( 0.2315703 0.0000000 -0.2315703), wk = 0.0034483 k( 175) = ( 0.2416386 0.0000000 -0.2416386), wk = 0.0034483 k( 176) = ( 0.2517069 0.0000000 -0.2517069), wk = 0.0034483 k( 177) = ( 0.2617751 0.0000000 -0.2617751), wk = 0.0034483 k( 178) = ( 0.2718434 0.0000000 -0.2718434), wk = 0.0034483 k( 179) = ( 0.2819117 0.0000000 -0.2819117), wk = 0.0034483 k( 180) = ( 0.2919800 -0.0000000 -0.2919800), wk = 0.0034483 k( 181) = ( 0.3020482 -0.0000000 -0.3020482), wk = 0.0034483 k( 182) = ( 0.3121165 -0.0000000 -0.3121165), wk = 0.0034483 k( 183) = ( 0.3221848 -0.0000000 -0.3221848), wk = 0.0034483 k( 184) = ( 0.3322531 0.0000000 -0.3322531), wk = 0.0034483 k( 185) = ( 0.3423213 0.0000000 -0.3423213), wk = 0.0034483 k( 186) = ( 0.3523896 0.0000000 -0.3523896), wk = 0.0034483 k( 187) = ( 0.3624579 0.0000000 -0.3624579), wk = 0.0034483 k( 188) = ( 0.3725262 -0.0000000 -0.3725262), wk = 0.0034483 k( 189) = ( 0.3825944 0.0000000 -0.3825944), wk = 0.0034483 k( 190) = ( 0.3926627 -0.0000000 -0.3926627), wk = 0.0034483 k( 191) = ( 0.4027310 0.0000000 -0.4027310), wk = 0.0034483 k( 192) = ( 0.4127993 0.0000000 -0.4127993), wk = 0.0034483 k( 193) = ( 0.4228675 0.0000000 -0.4228675), wk = 0.0034483 k( 194) = ( 0.4329358 0.0000000 -0.4329358), wk = 0.0034483 k( 195) = ( 0.4430041 0.0000000 -0.4430041), wk = 0.0034483 k( 196) = ( 0.4530724 0.0000000 -0.4530724), wk = 0.0034483 k( 197) = ( 0.4631406 0.0000000 -0.4631406), wk = 0.0034483 k( 198) = ( 0.4732089 0.0000000 -0.4732089), wk = 0.0034483 k( 199) = ( 0.4832772 0.0000000 -0.4832772), wk = 0.0034483 k( 200) = ( 0.4933455 0.0000000 -0.4933455), wk = 0.0034483 k( 201) = ( 0.5066546 0.4933455 0.0000000), wk = 0.0034483 k( 202) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034483 k( 203) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034483 k( 204) = ( 0.5001957 0.5001957 0.0143144), wk = 0.0034483 k( 205) = ( 0.5003914 0.5003914 0.0286289), wk = 0.0034483 k( 206) = ( 0.5005872 0.5005872 0.0429433), wk = 0.0034483 k( 207) = ( 0.5007829 0.5007829 0.0572578), wk = 0.0034483 k( 208) = ( 0.5009786 0.5009786 0.0715722), wk = 0.0034483 k( 209) = ( 0.5011743 0.5011743 0.0858866), wk = 0.0034483 k( 210) = ( 0.5013701 0.5013701 0.1002011), wk = 0.0034483 k( 211) = ( 0.5015658 0.5015658 0.1145155), wk = 0.0034483 k( 212) = ( 0.5017615 0.5017615 0.1288299), wk = 0.0034483 k( 213) = ( 0.5019572 0.5019572 0.1431444), wk = 0.0034483 k( 214) = ( 0.5021529 0.5021529 0.1574588), wk = 0.0034483 k( 215) = ( 0.5023487 0.5023487 0.1717733), wk = 0.0034483 k( 216) = ( 0.5025444 0.5025444 0.1860877), wk = 0.0034483 k( 217) = ( 0.5027401 0.5027401 0.2004021), wk = 0.0034483 k( 218) = ( 0.5029358 0.5029358 0.2147166), wk = 0.0034483 k( 219) = ( 0.5031315 0.5031315 0.2290310), wk = 0.0034483 k( 220) = ( 0.5033273 0.5033273 0.2433455), wk = 0.0034483 k( 221) = ( 0.5035230 0.5035230 0.2576599), wk = 0.0034483 k( 222) = ( 0.5037187 0.5037187 0.2719743), wk = 0.0034483 k( 223) = ( 0.5039144 0.5039144 0.2862888), wk = 0.0034483 k( 224) = ( 0.5041102 0.5041102 0.3006032), wk = 0.0034483 k( 225) = ( 0.5043059 0.5043059 0.3149176), wk = 0.0034483 k( 226) = ( 0.5045016 0.5045016 0.3292321), wk = 0.0034483 k( 227) = ( 0.5046973 0.5046973 0.3435465), wk = 0.0034483 k( 228) = ( 0.5048930 0.5048930 0.3578610), wk = 0.0034483 k( 229) = ( 0.5050888 0.5050888 0.3721754), wk = 0.0034483 k( 230) = ( 0.5052845 0.5052845 0.3864898), wk = 0.0034483 k( 231) = ( 0.5054802 0.5054802 0.4008043), wk = 0.0034483 k( 232) = ( 0.5056759 0.5056759 0.4151187), wk = 0.0034483 k( 233) = ( 0.5058717 0.5058717 0.4294331), wk = 0.0034483 k( 234) = ( 0.5060674 0.5060674 0.4437476), wk = 0.0034483 k( 235) = ( 0.5062631 0.5062631 0.4580620), wk = 0.0034483 k( 236) = ( 0.5064588 0.5064588 0.4723765), wk = 0.0034483 k( 237) = ( 0.5066546 0.5066546 0.4866909), wk = 0.0034483 k( 238) = ( 0.5066546 0.5066546 0.4866909), wk = 0.0034483 k( 239) = ( 0.5033273 0.5033273 0.4933455), wk = 0.0034483 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 241) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034483 k( 242) = ( 0.5002716 0.0100683 0.0100683), wk = 0.0034483 k( 243) = ( 0.5005432 0.0201365 0.0201365), wk = 0.0034483 k( 244) = ( 0.5008148 0.0302048 0.0302048), wk = 0.0034483 k( 245) = ( 0.5010865 0.0402731 0.0402731), wk = 0.0034483 k( 246) = ( 0.5013581 0.0503414 0.0503414), wk = 0.0034483 k( 247) = ( 0.5016297 0.0604097 0.0604097), wk = 0.0034483 k( 248) = ( 0.5019013 0.0704779 0.0704779), wk = 0.0034483 k( 249) = ( 0.5021729 0.0805462 0.0805462), wk = 0.0034483 k( 250) = ( 0.5024445 0.0906145 0.0906145), wk = 0.0034483 k( 251) = ( 0.5027161 0.1006827 0.1006827), wk = 0.0034483 k( 252) = ( 0.5029878 0.1107510 0.1107510), wk = 0.0034483 k( 253) = ( 0.5032594 0.1208193 0.1208193), wk = 0.0034483 k( 254) = ( 0.5035310 0.1308876 0.1308876), wk = 0.0034483 k( 255) = ( 0.5038026 0.1409558 0.1409558), wk = 0.0034483 k( 256) = ( 0.5040742 0.1510241 0.1510241), wk = 0.0034483 k( 257) = ( 0.5043458 0.1610924 0.1610924), wk = 0.0034483 k( 258) = ( 0.5046174 0.1711607 0.1711607), wk = 0.0034483 k( 259) = ( 0.5048891 0.1812289 0.1812289), wk = 0.0034483 k( 260) = ( 0.5051607 0.1912972 0.1912972), wk = 0.0034483 k( 261) = ( 0.5054323 0.2013655 0.2013655), wk = 0.0034483 k( 262) = ( 0.5057039 0.2114338 0.2114338), wk = 0.0034483 k( 263) = ( 0.5059755 0.2215020 0.2215020), wk = 0.0034483 k( 264) = ( 0.5062471 0.2315703 0.2315703), wk = 0.0034483 k( 265) = ( 0.5065187 0.2416386 0.2416386), wk = 0.0034483 k( 266) = ( 0.5067904 0.2517069 0.2517069), wk = 0.0034483 k( 267) = ( 0.5070620 0.2617751 0.2617751), wk = 0.0034483 k( 268) = ( 0.5073336 0.2718434 0.2718434), wk = 0.0034483 k( 269) = ( 0.5076052 0.2819117 0.2819117), wk = 0.0034483 k( 270) = ( 0.5078768 0.2919800 0.2919800), wk = 0.0034483 k( 271) = ( 0.5081484 0.3020482 0.3020482), wk = 0.0034483 k( 272) = ( 0.5084200 0.3121165 0.3121165), wk = 0.0034483 k( 273) = ( 0.5086917 0.3221848 0.3221848), wk = 0.0034483 k( 274) = ( 0.5089633 0.3322531 0.3322531), wk = 0.0034483 k( 275) = ( 0.5092349 0.3423213 0.3423213), wk = 0.0034483 k( 276) = ( 0.5095065 0.3523896 0.3523896), wk = 0.0034483 k( 277) = ( 0.5097781 0.3624579 0.3624579), wk = 0.0034483 k( 278) = ( 0.5100497 0.3725261 0.3725262), wk = 0.0034483 k( 279) = ( 0.5103214 0.3825944 0.3825944), wk = 0.0034483 k( 280) = ( 0.5105930 0.3926627 0.3926627), wk = 0.0034483 k( 281) = ( 0.5108646 0.4027310 0.4027310), wk = 0.0034483 k( 282) = ( 0.5111362 0.4127993 0.4127993), wk = 0.0034483 k( 283) = ( 0.5114078 0.4228675 0.4228675), wk = 0.0034483 k( 284) = ( 0.5116794 0.4329358 0.4329358), wk = 0.0034483 k( 285) = ( 0.5119510 0.4430041 0.4430041), wk = 0.0034483 k( 286) = ( 0.5122227 0.4530723 0.4530724), wk = 0.0034483 k( 287) = ( 0.5124943 0.4631406 0.4631406), wk = 0.0034483 k( 288) = ( 0.5127659 0.4732089 0.4732089), wk = 0.0034483 k( 289) = ( 0.5130375 0.4832772 0.4832772), wk = 0.0034483 k( 290) = ( 0.5133091 0.4933454 0.4933455), wk = 0.0034483 Dense grid: 61097 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 33203 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 184, 42) NL pseudopotentials 0.13 Mb ( 92, 92) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1274) G-vector shells 0.01 Mb ( 1104) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 184, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.12 Mb ( 92, 2, 42) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KIO3.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 43.4 secs Computing kpt #: 3 total cpu time spent up to now is 44.8 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 47.6 secs Computing kpt #: 6 total cpu time spent up to now is 49.1 secs Computing kpt #: 7 total cpu time spent up to now is 50.6 secs Computing kpt #: 8 total cpu time spent up to now is 52.0 secs Computing kpt #: 9 total cpu time spent up to now is 53.6 secs Computing kpt #: 10 total cpu time spent up to now is 55.0 secs Computing kpt #: 11 total cpu time spent up to now is 56.4 secs Computing kpt #: 12 total cpu time spent up to now is 57.8 secs Computing kpt #: 13 total cpu time spent up to now is 59.3 secs Computing kpt #: 14 total cpu time spent up to now is 60.7 secs Computing kpt #: 15 total cpu time spent up to now is 62.1 secs Computing kpt #: 16 total cpu time spent up to 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total cpu time spent up to now is 84.2 secs Computing kpt #: 33 total cpu time spent up to now is 85.5 secs Computing kpt #: 34 total cpu time spent up to now is 86.8 secs Computing kpt #: 35 total cpu time spent up to now is 88.4 secs Computing kpt #: 36 total cpu time spent up to now is 89.9 secs Computing kpt #: 37 total cpu time spent up to now is 91.2 secs Computing kpt #: 38 total cpu time spent up to now is 92.5 secs Computing kpt #: 39 total cpu time spent up to now is 93.7 secs Computing kpt #: 40 total cpu time spent up to now is 94.8 secs Computing kpt #: 41 total cpu time spent up to now is 96.0 secs Computing kpt #: 42 total cpu time spent up to now is 97.2 secs Computing kpt #: 43 total cpu time spent up to now is 98.5 secs Computing kpt #: 44 total cpu time spent up to now is 99.7 secs Computing kpt #: 45 total cpu time spent up to now is 100.9 secs Computing kpt #: 46 total cpu time spent up to now is 102.2 secs Computing kpt #: 47 total cpu time spent up to now is 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total cpu time spent up to now is 203.6 secs Computing kpt #: 125 total cpu time spent up to now is 205.5 secs Computing kpt #: 126 total cpu time spent up to now is 206.9 secs Computing kpt #: 127 total cpu time spent up to now is 208.3 secs Computing kpt #: 128 total cpu time spent up to now is 209.6 secs Computing kpt #: 129 total cpu time spent up to now is 210.8 secs Computing kpt #: 130 total cpu time spent up to now is 212.2 secs Computing kpt #: 131 total cpu time spent up to now is 213.5 secs Computing kpt #: 132 total cpu time spent up to now is 214.7 secs Computing kpt #: 133 total cpu time spent up to now is 216.0 secs Computing kpt #: 134 total cpu time spent up to now is 217.3 secs Computing kpt #: 135 total cpu time spent up to now is 218.6 secs Computing kpt #: 136 total cpu time spent up to now is 220.0 secs Computing kpt #: 137 total cpu time spent up to now is 221.3 secs Computing kpt #: 138 total cpu time spent up to now is 222.7 secs Computing kpt #: 139 total cpu 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is 267.3 secs Computing kpt #: 170 total cpu time spent up to now is 268.6 secs Computing kpt #: 171 total cpu time spent up to now is 269.8 secs Computing kpt #: 172 total cpu time spent up to now is 271.1 secs Computing kpt #: 173 total cpu time spent up to now is 272.3 secs Computing kpt #: 174 total cpu time spent up to now is 273.6 secs Computing kpt #: 175 total cpu time spent up to now is 274.8 secs Computing kpt #: 176 total cpu time spent up to now is 276.2 secs Computing kpt #: 177 total cpu time spent up to now is 277.5 secs Computing kpt #: 178 total cpu time spent up to now is 278.7 secs Computing kpt #: 179 total cpu time spent up to now is 279.9 secs Computing kpt #: 180 total cpu time spent up to now is 281.2 secs Computing kpt #: 181 total cpu time spent up to now is 282.4 secs Computing kpt #: 182 total cpu time spent up to now is 283.9 secs Computing kpt #: 183 total cpu time spent up to now is 285.1 secs Computing kpt #: 184 total cpu time spent up to now is 286.2 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Computing kpt #: 200 total cpu time spent up to now is 307.3 secs Computing kpt #: 201 total cpu time spent up to now is 308.7 secs Computing kpt #: 202 total cpu time spent up to now is 310.2 secs Computing kpt #: 203 total cpu time spent up to now is 311.6 secs Computing kpt #: 204 total cpu time spent up to now is 313.0 secs Computing kpt #: 205 total cpu time spent up to now is 314.4 secs Computing kpt #: 206 total cpu time spent up to now is 315.9 secs Computing kpt #: 207 total cpu time spent up to now is 317.4 secs Computing kpt #: 208 total cpu time spent up to now is 319.0 secs Computing kpt #: 209 total cpu time spent up to now is 320.7 secs Computing kpt #: 210 total cpu time spent up to now is 322.2 secs Computing kpt #: 211 total cpu time spent up to now is 323.6 secs Computing kpt #: 212 total cpu time spent up to now is 325.2 secs Computing kpt #: 213 total cpu time spent up to now is 326.7 secs Computing kpt #: 214 total cpu time spent up to now is 328.2 secs Computing kpt #: 215 total cpu time spent up to now is 329.6 secs Computing kpt #: 216 total cpu time spent up to now is 331.0 secs Computing kpt #: 217 total cpu time spent up to now is 332.5 secs Computing kpt #: 218 total cpu time spent up to now is 333.9 secs Computing kpt #: 219 total cpu time spent up to now is 335.3 secs Computing kpt #: 220 total cpu time spent up to now is 336.6 secs Computing kpt #: 221 total cpu time spent up to now is 338.0 secs Computing kpt #: 222 total cpu time spent up to now is 339.3 secs Computing kpt #: 223 total cpu time spent up to now is 340.7 secs Computing kpt #: 224 total cpu time spent up to now is 342.0 secs Computing kpt #: 225 total cpu time spent up to now is 343.4 secs Computing kpt #: 226 total cpu time spent up to now is 344.7 secs Computing kpt #: 227 total cpu time spent up to now is 346.0 secs Computing kpt #: 228 total cpu time spent up to now is 347.3 secs Computing kpt #: 229 total cpu time spent up to now is 348.6 secs Computing kpt #: 230 total cpu time spent up to now is 349.9 secs Computing kpt #: 231 total cpu time spent up to now is 351.1 secs Computing kpt #: 232 total cpu time spent up to now is 352.3 secs Computing kpt #: 233 total cpu time spent up to now is 353.6 secs Computing kpt #: 234 total cpu time spent up to now is 354.8 secs Computing kpt #: 235 total cpu time spent up to now is 356.1 secs Computing kpt #: 236 total cpu time spent up to now is 357.2 secs Computing kpt #: 237 total cpu time spent up to now is 358.4 secs Computing kpt #: 238 total cpu time spent up to now is 359.5 secs Computing kpt #: 239 total cpu time spent up to now is 360.6 secs Computing kpt #: 240 total cpu time spent up to now is 361.7 secs Computing kpt #: 241 total cpu time spent up to now is 362.8 secs Computing kpt #: 242 total cpu time spent up to now is 363.8 secs Computing kpt #: 243 total cpu time spent up to now is 365.0 secs Computing kpt #: 244 total cpu time spent up to now is 366.0 secs Computing kpt #: 245 total cpu time spent up to now is 367.0 secs Computing kpt #: 246 total cpu time spent up to now is 368.1 secs Computing kpt #: 247 total cpu time spent up to now is 369.1 secs Computing kpt #: 248 total cpu time spent up to now is 370.2 secs Computing kpt #: 249 total cpu time spent up to now is 371.5 secs Computing kpt #: 250 total cpu time spent up to now is 372.7 secs Computing kpt #: 251 total cpu time spent up to now is 373.9 secs Computing kpt #: 252 total cpu time spent up to now is 375.2 secs Computing kpt #: 253 total cpu time spent up to now is 376.4 secs Computing kpt #: 254 total cpu time spent up to now is 377.6 secs Computing kpt #: 255 total cpu time spent up to now is 378.9 secs Computing kpt #: 256 total cpu time spent up to now is 380.1 secs Computing kpt #: 257 total cpu time spent up to now is 381.4 secs Computing kpt #: 258 total cpu time spent up to now is 382.7 secs Computing kpt #: 259 total cpu time spent up to now is 384.1 secs Computing kpt #: 260 total cpu time spent up to now is 385.5 secs Computing kpt #: 261 total cpu time spent up to now is 386.7 secs Computing kpt #: 262 total cpu time spent up to now is 387.9 secs Computing kpt #: 263 total cpu time spent up to now is 389.3 secs Computing kpt #: 264 total cpu time spent up to now is 390.6 secs Computing kpt #: 265 total cpu time spent up to now is 391.9 secs Computing kpt #: 266 total cpu time spent up to now is 393.2 secs Computing kpt #: 267 total cpu time spent up to now is 394.5 secs Computing kpt #: 268 total cpu time spent up to now is 395.8 secs Computing kpt #: 269 total cpu time spent up to now is 397.2 secs Computing kpt #: 270 total cpu time spent up to now is 398.5 secs Computing kpt #: 271 total cpu time spent up to now is 399.8 secs Computing kpt #: 272 total cpu time spent up to now is 401.2 secs Computing kpt #: 273 total cpu time spent up to now is 402.5 secs Computing kpt #: 274 total cpu time spent up to now is 403.9 secs Computing kpt #: 275 total cpu time spent up to now is 405.2 secs Computing kpt #: 276 total cpu time spent up to now is 406.5 secs Computing kpt #: 277 total cpu time spent up to now is 407.8 secs Computing kpt #: 278 total cpu time spent up to now is 409.2 secs Computing kpt #: 279 total cpu time spent up to now is 410.5 secs Computing kpt #: 280 total cpu time spent up to now is 411.8 secs Computing kpt #: 281 total cpu time spent up to now is 413.7 secs Computing kpt #: 282 total cpu time spent up to now is 415.6 secs Computing kpt #: 283 total cpu time spent up to now is 417.6 secs Computing kpt #: 284 total cpu time spent up to now is 419.2 secs Computing kpt #: 285 total cpu time spent up to now is 420.6 secs Computing kpt #: 286 total cpu time spent up to now is 421.9 secs Computing kpt #: 287 total cpu time spent up to now is 423.2 secs Computing kpt #: 288 total cpu time spent up to now is 424.4 secs Computing kpt #: 289 total cpu time spent up to now is 425.5 secs Computing kpt #: 290 total cpu time spent up to now is 426.8 secs ethr = 2.94E-11, avg # of iterations = 39.9 total cpu time spent up to now is 426.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -24.2442 -24.2442 -16.4574 -16.4574 -13.3569 -13.3569 -13.2860 -13.2860 -7.8962 -7.8962 -7.6376 -7.6376 -7.6228 -7.6228 -5.2282 -5.2282 -2.3350 -2.3350 -1.8834 -1.8834 -1.6766 -1.6766 2.3641 2.3641 2.3742 2.3742 2.6260 2.6260 2.6451 2.6451 2.7553 2.7553 2.9129 2.9129 9.0496 9.0496 10.8251 10.8251 11.3284 11.3284 11.5346 11.5346 k = 0.0143-0.0002-0.0002 ( 4141 PWs) bands (ev): -24.2442 -24.2442 -16.4573 -16.4571 -13.3575 -13.3567 -13.2862 -13.2862 -7.8967 -7.8957 -7.6381 -7.6370 -7.6228 -7.6228 -5.2310 -5.2298 -2.3512 -2.3167 -1.8840 -1.8838 -1.6913 -1.6538 2.3632 2.3634 2.3732 2.3735 2.6218 2.6265 2.6430 2.6435 2.7560 2.7621 2.9127 2.9132 9.0502 9.0527 10.8218 10.8237 11.3239 11.3251 11.5254 11.5374 k = 0.0286-0.0004-0.0004 ( 4138 PWs) bands (ev): -24.2442 -24.2442 -16.4566 -16.4562 -13.3586 -13.3569 -13.2868 -13.2868 -7.8973 -7.8951 -7.6387 -7.6365 -7.6228 -7.6228 -5.2382 -5.2357 -2.3650 -2.2970 -1.8859 -1.8847 -1.6971 -1.6239 2.3606 2.3610 2.3707 2.3714 2.6126 2.6221 2.6388 2.6412 2.7636 2.7743 2.9126 2.9136 9.0543 9.0593 10.8135 10.8176 11.3121 11.3140 11.5176 11.5294 k = 0.0429-0.0006-0.0006 ( 4133 PWs) bands (ev): -24.2442 -24.2442 -16.4554 -16.4548 -13.3602 -13.3576 -13.2878 -13.2877 -7.8978 -7.8946 -7.6393 -7.6360 -7.6228 -7.6228 -5.2495 -5.2458 -2.3761 -2.2766 -1.8893 -1.8855 -1.6933 -1.5878 2.3564 2.3570 2.3667 2.3677 2.5995 2.6112 2.6365 2.6399 2.7759 2.7897 2.9126 2.9140 9.0619 9.0696 10.8001 10.8068 11.2942 11.2963 11.5121 11.5202 k = 0.0571-0.0008-0.0008 ( 4132 PWs) bands (ev): -24.2441 -24.2441 -16.4538 -16.4529 -13.3622 -13.3588 -13.2892 -13.2890 -7.8983 -7.8941 -7.6399 -7.6355 -7.6228 -7.6227 -5.2648 -5.2599 -2.3845 -2.2564 -1.8935 -1.8862 -1.6799 -1.5461 2.3505 2.3512 2.3611 2.3625 2.5844 2.5965 2.6357 2.6394 2.7906 2.8065 2.9126 2.9145 9.0728 9.0835 10.7814 10.7911 11.2717 11.2731 11.5086 11.5122 k = 0.0714-0.0010-0.0010 ( 4136 PWs) bands (ev): -24.2441 -24.2441 -16.4516 -16.4505 -13.3648 -13.3605 -13.2908 -13.2905 -7.8989 -7.8937 -7.6405 -7.6350 -7.6228 -7.6227 -5.2838 -5.2776 -2.3903 -2.2372 -1.8978 -1.8865 -1.6570 -1.4993 2.3428 2.3437 2.3539 2.3558 2.5688 2.5806 2.6355 2.6392 2.8062 2.8238 2.9127 2.9150 9.0868 9.1008 10.7570 10.7706 11.2458 11.2460 11.5052 11.5064 k = 0.0857-0.0012-0.0012 ( 4132 PWs) bands (ev): -24.2440 -24.2440 -16.4489 -16.4477 -13.3680 -13.3628 -13.2927 -13.2922 -7.8994 -7.8932 -7.6412 -7.6346 -7.6227 -7.6227 -5.3062 -5.2988 -2.3936 -2.2200 -1.9016 -1.8863 -1.6252 -1.4477 2.3336 2.3347 2.3450 2.3475 2.5537 2.5649 2.6354 2.6391 2.8222 2.8410 2.9128 2.9155 9.1037 9.1216 10.7266 10.7450 11.2157 11.2182 11.4990 11.5050 k = 0.1000-0.0014-0.0013 ( 4129 PWs) bands (ev): -24.2439 -24.2439 -16.4458 -16.4443 -13.3718 -13.3657 -13.2946 -13.2939 -7.8999 -7.8928 -7.6418 -7.6343 -7.6227 -7.6226 -5.3314 -5.3228 -2.3946 -2.2050 -1.9043 -1.8856 -1.5849 -1.3917 2.3230 2.3241 2.3344 2.3376 2.5398 2.5501 2.6353 2.6390 2.8378 2.8577 2.9129 2.9159 9.1233 9.1456 10.6901 10.7143 11.1838 11.1893 11.4934 11.5042 k = 0.1143-0.0016-0.0015 ( 4127 PWs) bands (ev): -24.2438 -24.2438 -16.4423 -16.4406 -13.3764 -13.3694 -13.2966 -13.2957 -7.9003 -7.8925 -7.6424 -7.6339 -7.6228 -7.6226 -5.3593 -5.3495 -2.3937 -2.1927 -1.9057 -1.8845 -1.5368 -1.3317 2.3110 2.3123 2.3222 2.3260 2.5273 2.5367 2.6352 2.6389 2.8530 2.8739 2.9129 2.9161 9.1451 9.1728 10.6471 10.6784 11.1511 11.1601 11.4880 11.5037 k = 0.1286-0.0018-0.0017 ( 4127 PWs) bands (ev): -24.2437 -24.2437 -16.4383 -16.4365 -13.3816 -13.3738 -13.2986 -13.2974 -7.9008 -7.8922 -7.6430 -7.6336 -7.6228 -7.6225 -5.3892 -5.3783 -2.3909 -2.1829 -1.9057 -1.8829 -1.4815 -1.2682 2.2977 2.2991 2.3084 2.3129 2.5165 2.5249 2.6349 2.6386 2.8675 2.8893 2.9128 2.9163 9.1687 9.2027 10.5978 10.6377 11.1184 11.1313 11.4828 11.5036 k = 0.1429-0.0020-0.0019 ( 4128 PWs) bands (ev): -24.2436 -24.2436 -16.4339 -16.4319 -13.3875 -13.3789 -13.3004 -13.2990 -7.9012 -7.8919 -7.6436 -7.6334 -7.6228 -7.6224 -5.4208 -5.4089 -2.3867 -2.1753 -1.9046 -1.8809 -1.4199 -1.2014 2.2835 2.2848 2.2935 2.2985 2.5074 2.5148 2.6345 2.6382 2.8812 2.9036 2.9129 2.9163 9.1934 9.2351 10.5424 10.5925 11.0864 11.1032 11.4777 11.5037 k = 0.1571-0.0021-0.0021 ( 4125 PWs) bands (ev): -24.2435 -24.2435 -16.4292 -16.4271 -13.3941 -13.3848 -13.3020 -13.3005 -7.9016 -7.8917 -7.6442 -7.6332 -7.6229 -7.6224 -5.4537 -5.4408 -2.3813 -2.1697 -1.9025 -1.8785 -1.3529 -1.1319 2.2683 2.2694 2.2780 2.2832 2.4998 2.5063 2.6339 2.6376 2.8939 2.9110 2.9163 2.9187 9.2184 9.2696 10.4813 10.5438 11.0554 11.0762 11.4726 11.5039 k = 0.1714-0.0023-0.0023 ( 4127 PWs) bands (ev): -24.2434 -24.2433 -16.4241 -16.4219 -13.4013 -13.3915 -13.3034 -13.3017 -7.9020 -7.8915 -7.6448 -7.6331 -7.6229 -7.6223 -5.4875 -5.4737 -2.3747 -2.1655 -1.8994 -1.8758 -1.2814 -1.0601 2.2524 2.2530 2.2622 2.2674 2.4936 2.4992 2.6332 2.6368 2.9052 2.9108 2.9166 2.9312 9.2426 9.3055 10.4155 10.4927 11.0258 11.0504 11.4675 11.5044 k = 0.1857-0.0025-0.0025 ( 4130 PWs) bands (ev): -24.2432 -24.2432 -16.4188 -16.4164 -13.4091 -13.3988 -13.3047 -13.3029 -7.9024 -7.8914 -7.6454 -7.6330 -7.6230 -7.6222 -5.5218 -5.5072 -2.3674 -2.1625 -1.8958 -1.8727 -1.2062 -0.9866 2.2359 2.2360 2.2463 2.2513 2.4886 2.4935 2.6323 2.6359 2.9100 2.9118 2.9206 2.9432 9.2648 9.3420 10.3461 10.4411 10.9975 11.0261 11.4625 11.5050 k = 0.2000-0.0027-0.0027 ( 4130 PWs) bands (ev): -24.2431 -24.2431 -16.4132 -16.4107 -13.4174 -13.4068 -13.3057 -13.3038 -7.9027 -7.8914 -7.6459 -7.6330 -7.6230 -7.6222 -5.5562 -5.5410 -2.3593 -2.1604 -1.8915 -1.8694 -1.1282 -0.9118 2.2189 2.2192 2.2304 2.2351 2.4846 2.4888 2.6313 2.6348 2.9089 2.9121 2.9298 2.9545 9.2832 9.3777 10.2749 10.3910 10.9708 11.0031 11.4573 11.5058 k = 0.2143-0.0029-0.0029 ( 4132 PWs) bands (ev): -24.2429 -24.2429 -16.4074 -16.4048 -13.4261 -13.4153 -13.3065 -13.3046 -7.9030 -7.8914 -7.6465 -7.6331 -7.6231 -7.6221 -5.5904 -5.5747 -2.3507 -2.1589 -1.8869 -1.8659 -1.0483 -0.8364 2.2020 2.2026 2.2145 2.2191 2.4814 2.4851 2.6302 2.6336 2.9075 2.9111 2.9395 2.9651 9.2956 9.4108 10.2042 10.3450 10.9456 10.9816 11.4522 11.5067 k = 0.2286-0.0031-0.0031 ( 4133 PWs) bands (ev): -24.2428 -24.2428 -16.4014 -16.3988 -13.4352 -13.4242 -13.3072 -13.3053 -7.9033 -7.8915 -7.6470 -7.6333 -7.6231 -7.6220 -5.6242 -5.6081 -2.3418 -2.1578 -1.8820 -1.8621 -0.9671 -0.7609 2.1858 2.1865 2.1987 2.2033 2.4790 2.4821 2.6289 2.6322 2.9059 2.9096 2.9487 2.9749 9.3000 9.4383 10.1374 10.3060 10.9218 10.9615 11.4470 11.5078 k = 0.2429-0.0033-0.0033 ( 4137 PWs) bands (ev): -24.2426 -24.2426 -16.3953 -16.3927 -13.4445 -13.4335 -13.3077 -13.3059 -7.9036 -7.8916 -7.6475 -7.6336 -7.6231 -7.6220 -5.6574 -5.6410 -2.3325 -2.1571 -1.8769 -1.8583 -0.8855 -0.6859 2.1705 2.1709 2.1830 2.1878 2.4772 2.4799 2.6276 2.6308 2.9040 2.9079 2.9574 2.9842 9.2940 9.4558 10.0795 10.2768 10.8994 10.9428 11.4417 11.5089 k = 0.2571-0.0035-0.0035 ( 4143 PWs) bands (ev): -24.2425 -24.2425 -16.3892 -16.3865 -13.4540 -13.4430 -13.3080 -13.3063 -7.9038 -7.8919 -7.6479 -7.6339 -7.6231 -7.6219 -5.6896 -5.6731 -2.3230 -2.1567 -1.8717 -1.8543 -0.8042 -0.6120 2.1561 2.1563 2.1676 2.1729 2.4760 2.4782 2.6261 2.6292 2.9020 2.9058 2.9656 2.9929 9.2760 9.4577 10.0365 10.2593 10.8784 10.9256 11.4365 11.5102 k = 0.2714-0.0037-0.0037 ( 4141 PWs) bands (ev): -24.2423 -24.2423 -16.3830 -16.3803 -13.4635 -13.4527 -13.3083 -13.3067 -7.9040 -7.8922 -7.6483 -7.6344 -7.6231 -7.6218 -5.7206 -5.7043 -2.3135 -2.1564 -1.8664 -1.8503 -0.7239 -0.5397 2.1422 2.1434 2.1526 2.1587 2.4753 2.4771 2.6247 2.6276 2.8998 2.9035 2.9736 3.0011 9.2456 9.4391 10.0139 10.2547 10.8589 10.9097 11.4312 11.5115 k = 0.2857-0.0039-0.0039 ( 4145 PWs) bands (ev): -24.2422 -24.2422 -16.3768 -16.3741 -13.4730 -13.4624 -13.3085 -13.3069 -7.9041 -7.8925 -7.6487 -7.6349 -7.6231 -7.6218 -5.7504 -5.7342 -2.3038 -2.1564 -1.8612 -1.8462 -0.6451 -0.4697 2.1291 2.1318 2.1382 2.1456 2.4749 2.4765 2.6231 2.6260 2.8975 2.9011 2.9812 3.0089 9.2037 9.3989 10.0130 10.2625 10.8407 10.8954 11.4260 11.5128 k = 0.3000-0.0041-0.0040 ( 4145 PWs) bands (ev): -24.2420 -24.2420 -16.3707 -16.3681 -13.4823 -13.4720 -13.3086 -13.3071 -7.9042 -7.8929 -7.6491 -7.6356 -7.6230 -7.6217 -5.7786 -5.7629 -2.2943 -2.1565 -1.8560 -1.8422 -0.5685 -0.4024 2.1166 2.1210 2.1250 2.1339 2.4750 2.4763 2.6216 2.6243 2.8950 2.8985 2.9887 3.0164 9.1520 9.3409 10.0307 10.2812 10.8240 10.8825 11.4209 11.5141 k = 0.3143-0.0043-0.0042 ( 4143 PWs) bands (ev): -24.2419 -24.2419 -16.3647 -16.3622 -13.4914 -13.4815 -13.3087 -13.3073 -7.9043 -7.8934 -7.6494 -7.6363 -7.6229 -7.6216 -5.8053 -5.7900 -2.2848 -2.1568 -1.8509 -1.8383 -0.4947 -0.3385 2.1046 2.1090 2.1153 2.1239 2.4755 2.4764 2.6201 2.6226 2.8925 2.8958 2.9960 3.0236 9.0930 9.2709 10.0616 10.3086 10.8089 10.8713 11.4160 11.5153 k = 0.3286-0.0045-0.0044 ( 4145 PWs) bands (ev): -24.2418 -24.2418 -16.3589 -16.3565 -13.5003 -13.4908 -13.3087 -13.3074 -7.9044 -7.8939 -7.6496 -7.6371 -7.6228 -7.6216 -5.8303 -5.8156 -2.2754 -2.1573 -1.8460 -1.8345 -0.4242 -0.2784 2.0929 2.0964 2.1084 2.1157 2.4762 2.4770 2.6186 2.6210 2.8899 2.8931 3.0033 3.0305 9.0294 9.1939 10.1007 10.3423 10.7957 10.8616 11.4114 11.5163 k = 0.3429-0.0047-0.0046 ( 4145 PWs) bands (ev): -24.2416 -24.2416 -16.3533 -16.3510 -13.5087 -13.4998 -13.3086 -13.3075 -7.9044 -7.8944 -7.6498 -7.6379 -7.6227 -7.6215 -5.8535 -5.8396 -2.2662 -2.1580 -1.8412 -1.8309 -0.3574 -0.2225 2.0816 2.0844 2.1032 2.1094 2.4772 2.4778 2.6172 2.6194 2.8874 2.8904 3.0106 3.0372 8.9634 9.1140 10.1446 10.3797 10.7846 10.8536 11.4073 11.5170 k = 0.3571-0.0049-0.0048 ( 4142 PWs) bands (ev): -24.2415 -24.2415 -16.3480 -16.3458 -13.5166 -13.5083 -13.3086 -13.3075 -7.9043 -7.8950 -7.6499 -7.6388 -7.6225 -7.6214 -5.8748 -5.8617 -2.2573 -2.1590 -1.8367 -1.8275 -0.2949 -0.1712 2.0708 2.0731 2.0994 2.1047 2.4785 2.4789 2.6159 2.6179 2.8850 2.8877 3.0179 3.0437 8.8974 9.0338 10.1907 10.4185 10.7760 10.8474 11.4038 11.5172 k = 0.3714-0.0051-0.0050 ( 4140 PWs) bands (ev): -24.2414 -24.2414 -16.3431 -16.3410 -13.5240 -13.5164 -13.3085 -13.3075 -7.9042 -7.8956 -7.6500 -7.6397 -7.6224 -7.6214 -5.8941 -5.8821 -2.2486 -2.1602 -1.8325 -1.8243 -0.2370 -0.1248 2.0608 2.0626 2.0970 2.1014 2.4799 2.4802 2.6146 2.6165 2.8826 2.8851 3.0252 3.0499 8.8330 8.9556 10.2373 10.4563 10.7707 10.8430 11.4012 11.5168 k = 0.3857-0.0053-0.0052 ( 4149 PWs) bands (ev): -24.2413 -24.2413 -16.3385 -16.3366 -13.5308 -13.5238 -13.3084 -13.3076 -7.9041 -7.8963 -7.6500 -7.6407 -7.6222 -7.6214 -5.9115 -5.9005 -2.2403 -2.1617 -1.8286 -1.8214 -0.1839 -0.0836 2.0517 2.0531 2.0956 2.0993 2.4814 2.4816 2.6134 2.6151 2.8804 2.8827 3.0325 3.0557 8.7720 8.8809 10.2828 10.4904 10.7696 10.8403 11.3997 11.5154 k = 0.4000-0.0055-0.0054 ( 4147 PWs) bands (ev): -24.2412 -24.2412 -16.3343 -16.3326 -13.5369 -13.5307 -13.3083 -13.3076 -7.9039 -7.8969 -7.6499 -7.6416 -7.6221 -7.6213 -5.9268 -5.9170 -2.2322 -2.1635 -1.8250 -1.8188 -0.1360 -0.0478 2.0434 2.0446 2.0951 2.0981 2.4830 2.4831 2.6124 2.6139 2.8783 2.8804 3.0396 3.0611 8.7157 8.8111 10.3262 10.5185 10.7732 10.8395 11.3996 11.5130 k = 0.4143-0.0057-0.0056 ( 4147 PWs) bands (ev): -24.2411 -24.2411 -16.3306 -16.3291 -13.5422 -13.5368 -13.3082 -13.3076 -7.9037 -7.8976 -7.6498 -7.6425 -7.6220 -7.6213 -5.9400 -5.9314 -2.2246 -2.1657 -1.8218 -1.8165 -0.0934 -0.0176 2.0361 2.0371 2.0953 2.0977 2.4846 2.4846 2.6115 2.6128 2.8765 2.8783 3.0466 3.0658 8.6653 8.7473 10.3666 10.5388 10.7820 10.8402 11.4013 11.5092 k = 0.4286-0.0059-0.0058 ( 4141 PWs) bands (ev): -24.2411 -24.2411 -16.3273 -16.3260 -13.5468 -13.5422 -13.3081 -13.3076 -7.9034 -7.8983 -7.6496 -7.6434 -7.6218 -7.6213 -5.9511 -5.9438 -2.2173 -2.1683 -1.8189 -1.8146 -0.0562 0.0071 2.0299 2.0306 2.0959 2.0978 2.4860 2.4861 2.6107 2.6118 2.8749 2.8764 3.0532 3.0699 8.6220 8.6905 10.4035 10.5511 10.7948 10.8423 11.4050 11.5038 k = 0.4429-0.0061-0.0060 ( 4147 PWs) bands (ev): -24.2410 -24.2410 -16.3246 -16.3236 -13.5504 -13.5467 -13.3080 -13.3076 -7.9031 -7.8989 -7.6493 -7.6443 -7.6217 -7.6213 -5.9600 -5.9542 -2.2104 -2.1712 -1.8165 -1.8131 -0.0246 0.0262 2.0247 2.0253 2.0967 2.0981 2.4873 2.4874 2.6101 2.6109 2.8736 2.8748 3.0593 3.0731 8.5866 8.6415 10.4363 10.5560 10.8097 10.8452 11.4110 11.4967 k = 0.4571-0.0063-0.0062 ( 4149 PWs) bands (ev): -24.2410 -24.2410 -16.3224 -16.3216 -13.5532 -13.5504 -13.3079 -13.3076 -7.9027 -7.8996 -7.6489 -7.6451 -7.6216 -7.6213 -5.9668 -5.9624 -2.2040 -2.1746 -1.8145 -1.8119 0.0014 0.0396 2.0207 2.0211 2.0975 2.0986 2.4884 2.4885 2.6096 2.6103 2.8726 2.8735 3.0646 3.0753 8.5599 8.6012 10.4649 10.5550 10.8241 10.8483 11.4191 11.4878 k = 0.4714-0.0064-0.0064 ( 4151 PWs) bands (ev): -24.2409 -24.2409 -16.3208 -16.3203 -13.5551 -13.5532 -13.3078 -13.3076 -7.9023 -7.9002 -7.6485 -7.6459 -7.6215 -7.6213 -5.9715 -5.9685 -2.1980 -2.1784 -1.8130 -1.8113 0.0219 0.0473 2.0178 2.0181 2.0983 2.0990 2.4893 2.4893 2.6093 2.6097 2.8719 2.8725 3.0692 3.0765 8.5423 8.5699 10.4894 10.5494 10.8362 10.8508 11.4292 11.4774 k = 0.4857-0.0066-0.0066 ( 4152 PWs) bands (ev): -24.2409 -24.2409 -16.3198 -16.3195 -13.5561 -13.5551 -13.3078 -13.3077 -7.9018 -7.9008 -7.6479 -7.6467 -7.6214 -7.6213 -5.9740 -5.9725 -2.1924 -2.1826 -1.8119 -1.8110 0.0367 0.0494 2.0161 2.0163 2.0989 2.0992 2.4898 2.4898 2.6092 2.6094 2.8715 2.8718 3.0727 3.0764 8.5344 8.5482 10.5098 10.5398 10.8449 10.8516 11.4408 11.4656 k = 0.5000-0.0068-0.0067 ( 4150 PWs) bands (ev): -24.2409 -24.2409 -16.3193 -16.3193 -13.5561 -13.5561 -13.3077 -13.3077 -7.9013 -7.9013 -7.6473 -7.6473 -7.6214 -7.6214 -5.9743 -5.9743 -2.1873 -2.1873 -1.8112 -1.8112 0.0458 0.0458 2.0156 2.0156 2.0992 2.0992 2.4900 2.4900 2.6092 2.6092 2.8715 2.8715 3.0752 3.0752 8.5363 8.5363 10.5266 10.5266 10.8499 10.8499 11.4532 11.4532 k = 0.5000-0.0068-0.0067 ( 4150 PWs) bands (ev): -24.2409 -24.2409 -16.3193 -16.3193 -13.5561 -13.5561 -13.3077 -13.3077 -7.9013 -7.9013 -7.6473 -7.6473 -7.6214 -7.6214 -5.9743 -5.9743 -2.1873 -2.1873 -1.8112 -1.8112 0.0458 0.0458 2.0156 2.0156 2.0992 2.0992 2.4900 2.4900 2.6092 2.6092 2.8715 2.8715 3.0752 3.0752 8.5363 8.5363 10.5266 10.5266 10.8499 10.8499 11.4532 11.4532 k = 0.5000 0.0031-0.0168 ( 4156 PWs) bands (ev): -24.2409 -24.2409 -16.3192 -16.3189 -13.5567 -13.5555 -13.3088 -13.3073 -7.9016 -7.9011 -7.6476 -7.6471 -7.6216 -7.6212 -5.9772 -5.9752 -2.2079 -2.1629 -1.8330 -1.7854 0.0427 0.0496 2.0056 2.0107 2.1030 2.1066 2.4893 2.4911 2.6070 2.6087 2.8716 2.8726 3.0746 3.0797 8.5333 8.5370 10.5068 10.5422 10.8313 10.8636 11.4486 11.4602 k = 0.5000 0.0130-0.0269 ( 4150 PWs) bands (ev): -24.2409 -24.2409 -16.3185 -16.3179 -13.5574 -13.5551 -13.3105 -13.3076 -7.9019 -7.9008 -7.6478 -7.6468 -7.6219 -7.6210 -5.9839 -5.9798 -2.2246 -2.1350 -1.8506 -1.7558 0.0400 0.0538 1.9860 1.9939 2.1151 2.1202 2.4890 2.4925 2.6023 2.6058 2.8728 2.8749 3.0780 3.0879 8.5279 8.5354 10.4827 10.5539 10.8077 10.8726 11.4466 11.4690 k = 0.5000 0.0230-0.0370 ( 4152 PWs) bands (ev): -24.2408 -24.2408 -16.3173 -16.3164 -13.5583 -13.5548 -13.3130 -13.3086 -7.9022 -7.9006 -7.6480 -7.6466 -7.6223 -7.6209 -5.9943 -5.9882 -2.2374 -2.1037 -1.8637 -1.7224 0.0379 0.0587 1.9616 1.9711 2.1294 2.1347 2.4892 2.4943 2.5956 2.6005 2.8752 2.8785 3.0851 3.0996 8.5202 8.5315 10.4542 10.5617 10.7788 10.8772 11.4473 11.4792 k = 0.5000 0.0329-0.0470 ( 4158 PWs) bands (ev): -24.2408 -24.2408 -16.3155 -16.3143 -13.5592 -13.5546 -13.3161 -13.3103 -7.9025 -7.9003 -7.6483 -7.6463 -7.6227 -7.6209 -6.0083 -6.0002 -2.2460 -2.0696 -1.8722 -1.6856 0.0363 0.0640 1.9348 1.9452 2.1428 2.1478 2.4899 2.4964 2.5876 2.5938 2.8789 2.8832 3.0955 3.1143 8.5101 8.5253 10.4210 10.5657 10.7448 10.8777 11.4507 11.4904 k = 0.5000 0.0428-0.0571 ( 4158 PWs) bands (ev): -24.2408 -24.2408 -16.3132 -16.3117 -13.5602 -13.5545 -13.3198 -13.3126 -7.9028 -7.9001 -7.6485 -7.6461 -7.6232 -7.6209 -6.0258 -6.0158 -2.2507 -2.0333 -1.8754 -1.6454 0.0352 0.0699 1.9066 1.9176 2.1535 2.1582 2.4909 2.4987 2.5789 2.5864 2.8838 2.8892 3.1088 3.1316 8.4977 8.5168 10.3830 10.5659 10.7057 10.8745 11.4566 11.5020 k = 0.5000 0.0528-0.0672 ( 4156 PWs) bands (ev): -24.2407 -24.2407 -16.3104 -16.3086 -13.5613 -13.5545 -13.3242 -13.3156 -7.9031 -7.8999 -7.6487 -7.6459 -7.6236 -7.6210 -6.0466 -6.0348 -2.2512 -1.9959 -1.8724 -1.6022 0.0346 0.0764 1.8776 1.8891 2.1607 2.1652 2.4921 2.5009 2.5705 2.5798 2.8900 2.8964 3.1246 3.1510 8.4830 8.5062 10.3404 10.5622 10.6617 10.8675 11.4648 11.5138 k = 0.5000 0.0627-0.0772 ( 4154 PWs) bands (ev): -24.2406 -24.2406 -16.3070 -16.3049 -13.5625 -13.5546 -13.3291 -13.3192 -7.9035 -7.8998 -7.6489 -7.6458 -7.6242 -7.6211 -6.0706 -6.0570 -2.2477 -1.9598 -1.8611 -1.5561 0.0344 0.0834 1.8481 1.8599 2.1638 2.1682 2.4927 2.5025 2.5636 2.5752 2.8974 2.9047 3.1424 3.1721 8.4660 8.4934 10.2929 10.5543 10.6132 10.8570 11.4750 11.5257 k = 0.5000 0.0726-0.0873 ( 4164 PWs) bands (ev): -24.2406 -24.2406 -16.3032 -16.3008 -13.5638 -13.5548 -13.3346 -13.3234 -7.9039 -7.8997 -7.6492 -7.6457 -7.6247 -7.6214 -6.0976 -6.0823 -2.2403 -1.9283 -1.8385 -1.5073 0.0347 0.0910 1.8184 1.8304 2.1625 2.1669 2.4921 2.5023 2.5599 2.5740 2.9060 2.9141 3.1618 3.1947 8.4468 8.4785 10.2408 10.5401 10.5622 10.8427 11.4871 11.5375 k = 0.5000 0.0826-0.0974 ( 4156 PWs) bands (ev): -24.2405 -24.2405 -16.2988 -16.2961 -13.5652 -13.5551 -13.3407 -13.3282 -7.9043 -7.8996 -7.6494 -7.6456 -7.6254 -7.6216 -6.1274 -6.1104 -2.2289 -1.9028 -1.8034 -1.4562 0.0355 0.0990 1.7887 1.8009 2.1567 2.1612 2.4900 2.4996 2.5607 2.5767 2.9158 2.9246 3.1827 3.2186 8.4254 8.4615 10.1841 10.4976 10.5308 10.8244 11.5008 11.5494 k = 0.5000 0.0925-0.1074 ( 4168 PWs) bands (ev): -24.2404 -24.2404 -16.2940 -16.2910 -13.5667 -13.5555 -13.3473 -13.3336 -7.9047 -7.8996 -7.6497 -7.6457 -7.6260 -7.6220 -6.1598 -6.1412 -2.2137 -1.8806 -1.7591 -1.4030 0.0366 0.1076 1.7593 1.7716 2.1466 2.1511 2.4865 2.4947 2.5662 2.5830 2.9266 2.9361 3.2045 3.2433 8.4019 8.4426 10.1230 10.4364 10.5093 10.8019 11.5161 11.5617 k = 0.5000 0.1024-0.1175 ( 4166 PWs) bands (ev): -24.2403 -24.2403 -16.2886 -16.2855 -13.5682 -13.5560 -13.3543 -13.3394 -7.9052 -7.8996 -7.6500 -7.6458 -7.6268 -7.6224 -6.1945 -6.1745 -2.1947 -1.8582 -1.7090 -1.3479 0.0382 0.1166 1.7303 1.7426 2.1326 2.1371 2.4825 2.4888 2.5751 2.5921 2.9384 2.9484 3.2273 3.2689 8.3764 8.4218 10.0576 10.3701 10.4841 10.7749 11.5330 11.5745 k = 0.5000 0.1124-0.1276 ( 4160 PWs) bands (ev): -24.2402 -24.2402 -16.2829 -16.2795 -13.5698 -13.5566 -13.3617 -13.3457 -7.9058 -7.8997 -7.6503 -7.6460 -7.6275 -7.6230 -6.2313 -6.2099 -2.1722 -1.8341 -1.6553 -1.2912 0.0401 0.1261 1.7019 1.7141 2.1150 2.1194 2.4783 2.4829 2.5866 2.6032 2.9511 2.9615 3.2508 3.2952 8.3488 8.3992 9.9881 10.2996 10.4544 10.7430 11.5513 11.5883 k = 0.5000 0.1223-0.1376 ( 4160 PWs) bands (ev): -24.2400 -24.2400 -16.2767 -16.2730 -13.5715 -13.5573 -13.3695 -13.3525 -7.9064 -7.8999 -7.6506 -7.6463 -7.6284 -7.6236 -6.2699 -6.2474 -2.1462 -1.8074 -1.5991 -1.2331 0.0424 0.1360 1.6743 1.6863 2.0943 2.0988 2.4739 2.4782 2.5997 2.6159 2.9645 2.9754 3.2749 3.3221 8.3193 8.3748 9.9148 10.2254 10.4199 10.7061 11.5712 11.6033 k = 0.5000 0.1322-0.1477 ( 4156 PWs) bands (ev): -24.2399 -24.2399 -16.2702 -16.2662 -13.5733 -13.5582 -13.3776 -13.3596 -7.9070 -7.9002 -7.6510 -7.6467 -7.6293 -7.6242 -6.3103 -6.2866 -2.1168 -1.7778 -1.5413 -1.1741 0.0449 0.1463 1.6476 1.6593 2.0710 2.0756 2.4695 2.4751 2.6139 2.6295 2.9786 2.9898 3.2994 3.3495 8.2880 8.3487 9.8379 10.1475 10.3806 10.6640 11.5927 11.6197 k = 0.5000 0.1422-0.1578 ( 4158 PWs) bands (ev): -24.2398 -24.2398 -16.2632 -16.2591 -13.5751 -13.5591 -13.3860 -13.3671 -7.9077 -7.9006 -7.6515 -7.6473 -7.6303 -7.6250 -6.3520 -6.3273 -2.0843 -1.7452 -1.4822 -1.1143 0.0478 0.1569 1.6218 1.6333 2.0456 2.0503 2.4655 2.4735 2.6287 2.6439 2.9933 3.0047 3.3244 3.3773 8.2549 8.3211 9.7575 10.0663 10.3365 10.6167 11.6157 11.6379 k = 0.5000 0.1521-0.1678 ( 4160 PWs) bands (ev): -24.2396 -24.2396 -16.2559 -16.2516 -13.5770 -13.5601 -13.3946 -13.3749 -7.9085 -7.9011 -7.6520 -7.6480 -7.6313 -7.6259 -6.3949 -6.3693 -2.0487 -1.7097 -1.4222 -1.0541 0.0508 0.1677 1.5973 1.6085 2.0185 2.0233 2.4625 2.4730 2.6441 2.6586 3.0084 3.0200 3.3497 3.4056 8.2201 8.2919 9.6741 9.9820 10.2878 10.5643 11.6403 11.6579 k = 0.5000 0.1620-0.1779 ( 4158 PWs) bands (ev): -24.2395 -24.2395 -16.2483 -16.2437 -13.5789 -13.5612 -13.4034 -13.3829 -7.9093 -7.9017 -7.6525 -7.6488 -7.6325 -7.6269 -6.4388 -6.4124 -2.0103 -1.6714 -1.3617 -0.9936 0.0541 0.1787 1.5740 1.5848 1.9901 1.9951 2.4605 2.4738 2.6597 2.6737 3.0240 3.0357 3.3753 3.4342 8.1837 8.2614 9.5878 9.8948 10.2346 10.5071 11.6663 11.6798 k = 0.5000 0.1720-0.1880 ( 4166 PWs) bands (ev): -24.2393 -24.2393 -16.2404 -16.2356 -13.5809 -13.5625 -13.4123 -13.3912 -7.9103 -7.9024 -7.6531 -7.6497 -7.6339 -7.6279 -6.4834 -6.4564 -1.9691 -1.6304 -1.3010 -0.9334 0.0574 0.1897 1.5522 1.5626 1.9609 1.9661 2.4596 2.4757 2.6754 2.6889 3.0397 3.0516 3.4011 3.4631 8.1458 8.2295 9.4989 9.8048 10.1772 10.4453 11.6937 11.7035 k = 0.5000 0.1819-0.1980 ( 4160 PWs) bands (ev): -24.2392 -24.2392 -16.2322 -16.2273 -13.5830 -13.5638 -13.4213 -13.3996 -7.9112 -7.9032 -7.6538 -7.6507 -7.6353 -7.6291 -6.5286 -6.5010 -1.9255 -1.5867 -1.2403 -0.8735 0.0609 0.2008 1.5318 1.5418 1.9311 1.9364 2.4600 2.4789 2.6912 2.7043 3.0557 3.0676 3.4272 3.4924 8.1065 8.1965 9.4078 9.7125 10.1159 10.3792 11.7223 11.7289 k = 0.5000 0.1918-0.2081 ( 4166 PWs) bands (ev): -24.2390 -24.2390 -16.2238 -16.2187 -13.5851 -13.5653 -13.4303 -13.4082 -7.9123 -7.9042 -7.6546 -7.6518 -7.6368 -7.6304 -6.5741 -6.5461 -1.8795 -1.5407 -1.1799 -0.8143 0.0645 0.2118 1.5130 1.5225 1.9009 1.9064 2.4616 2.4833 2.7069 2.7196 3.0718 3.0837 3.4535 3.5219 8.0659 8.1623 9.3147 9.6180 10.0511 10.3093 11.7518 11.7560 k = 0.5000 0.2018-0.2182 ( 4168 PWs) bands (ev): -24.2389 -24.2389 -16.2152 -16.2100 -13.5872 -13.5670 -13.4392 -13.4168 -7.9134 -7.9053 -7.6554 -7.6531 -7.6385 -7.6318 -6.6198 -6.5915 -1.8313 -1.4924 -1.1202 -0.7561 0.0680 0.2225 1.4959 1.5049 1.8707 1.8763 2.4645 2.4891 2.7225 2.7348 3.0878 3.0998 3.4799 3.5518 8.0240 8.1270 9.2200 9.5215 9.9831 10.2360 11.7817 11.7848 k = 0.5000 0.2117-0.2282 ( 4172 PWs) bands (ev): -24.2387 -24.2387 -16.2064 -16.2011 -13.5894 -13.5687 -13.4480 -13.4255 -7.9146 -7.9065 -7.6563 -7.6544 -7.6404 -7.6333 -6.6655 -6.6369 -1.7811 -1.4421 -1.0613 -0.6992 0.0715 0.2329 1.4804 1.4891 1.8407 1.8464 2.4689 2.4963 2.7380 2.7500 3.1039 3.1159 3.5066 3.5819 7.9810 8.0908 9.1239 9.4233 9.9124 10.1596 11.8117 11.8153 k = 0.5000 0.2216-0.2383 ( 4172 PWs) bands (ev): -24.2386 -24.2386 -16.1975 -16.1921 -13.5916 -13.5706 -13.4567 -13.4341 -7.9159 -7.9079 -7.6572 -7.6558 -7.6423 -7.6350 -6.7110 -6.6823 -1.7292 -1.3898 -1.0034 -0.6438 0.0749 0.2428 1.4668 1.4750 1.8111 1.8169 2.4747 2.5049 2.7533 2.7651 3.1198 3.1318 3.5334 3.6124 7.9370 8.0538 9.0268 9.3238 9.8393 10.0808 11.8419 11.8467 k = 0.5000 0.2316-0.2484 ( 4174 PWs) bands (ev): -24.2384 -24.2384 -16.1884 -16.1830 -13.5939 -13.5727 -13.4651 -13.4426 -7.9172 -7.9094 -7.6583 -7.6572 -7.6444 -7.6368 -6.7561 -6.7274 -1.6757 -1.3359 -0.9468 -0.5901 0.0781 0.2520 1.4548 1.4627 1.7820 1.7878 2.4820 2.5150 2.7684 2.7799 3.1356 3.1475 3.5604 3.6430 7.8920 8.0159 8.9291 9.2232 9.7643 9.9998 11.8725 11.8783 k = 0.5000 0.2415-0.2585 ( 4172 PWs) bands (ev): -24.2382 -24.2382 -16.1793 -16.1738 -13.5962 -13.5749 -13.4733 -13.4511 -7.9186 -7.9110 -7.6596 -7.6587 -7.6466 -7.6387 -6.8008 -6.7720 -1.6208 -1.2805 -0.8916 -0.5384 0.0812 0.2606 1.4447 1.4521 1.7537 1.7595 2.4910 2.5267 2.7833 2.7946 3.1512 3.1630 3.5875 3.6739 7.8462 7.9773 8.8312 9.1218 9.6877 9.9171 11.9030 11.9098 k = 0.5000 0.2514-0.2685 ( 4166 PWs) bands (ev): -24.2381 -24.2381 -16.1702 -16.1646 -13.5985 -13.5772 -13.4812 -13.4594 -7.9200 -7.9128 -7.6611 -7.6601 -7.6489 -7.6407 -6.8448 -6.8161 -1.5647 -1.2239 -0.8381 -0.4890 0.0841 0.2683 1.4362 1.4433 1.7262 1.7321 2.5016 2.5399 2.7980 2.8091 3.1665 3.1782 3.6148 3.7051 7.7995 7.9380 8.7333 9.0198 9.6100 9.8332 11.9334 11.9408 k = 0.5000 0.2614-0.2786 ( 4164 PWs) bands (ev): -24.2379 -24.2379 -16.1611 -16.1555 -13.6009 -13.5798 -13.4886 -13.4675 -7.9214 -7.9147 -7.6628 -7.6615 -7.6513 -7.6428 -6.8879 -6.8594 -1.5076 -1.1661 -0.7864 -0.4420 0.0867 0.2750 1.4294 1.4363 1.6998 1.7057 2.5139 2.5548 2.8123 2.8233 3.1815 3.1931 3.6422 3.7363 7.7521 7.8982 8.6361 8.9176 9.5315 9.7484 11.9632 11.9709 k = 0.5000 0.2713-0.2887 ( 4154 PWs) bands (ev): -24.2377 -24.2377 -16.1520 -16.1464 -13.6033 -13.5825 -13.4957 -13.4754 -7.9229 -7.9166 -7.6646 -7.6630 -7.6536 -7.6450 -6.9302 -6.9019 -1.4498 -1.1076 -0.7367 -0.3975 0.0891 0.2807 1.4242 1.4308 1.6746 1.6804 2.5280 2.5712 2.8264 2.8372 3.1962 3.2077 3.6697 3.7678 7.7042 7.8578 8.5398 8.8156 9.4528 9.6632 11.9920 11.9999 k = 0.5000 0.2812-0.2987 ( 4154 PWs) bands (ev): -24.2376 -24.2376 -16.1430 -16.1375 -13.6057 -13.5855 -13.5024 -13.4830 -7.9245 -7.9187 -7.6666 -7.6646 -7.6560 -7.6473 -6.9714 -6.9433 -1.3915 -1.0484 -0.6892 -0.3558 0.0913 0.2851 1.4205 1.4268 1.6506 1.6563 2.5439 2.5892 2.8402 2.8508 3.2105 3.2218 3.6972 3.7992 7.6557 7.8168 8.4449 8.7139 9.3740 9.5780 12.0195 12.0274 k = 0.5000 0.2912-0.3088 ( 4162 PWs) bands (ev): -24.2374 -24.2374 -16.1341 -16.1286 -13.6082 -13.5885 -13.5085 -13.4903 -7.9261 -7.9209 -7.6687 -7.6664 -7.6582 -7.6497 -7.0114 -6.9836 -1.3328 -0.9888 -0.6439 -0.3170 0.0931 0.2883 1.4181 1.4241 1.6279 1.6336 2.5615 2.6086 2.8536 2.8641 3.2245 3.2356 3.7248 3.8307 7.6068 7.7754 8.3520 8.6130 9.2957 9.4930 12.0455 12.0531 k = 0.5000 0.3011-0.3189 ( 4162 PWs) bands (ev): -24.2373 -24.2373 -16.1254 -16.1200 -13.6107 -13.5918 -13.5143 -13.4974 -7.9277 -7.9231 -7.6709 -7.6685 -7.6603 -7.6521 -7.0500 -7.0227 -1.2741 -0.9290 -0.6010 -0.2810 0.0948 0.2902 1.4169 1.4227 1.6068 1.6122 2.5809 2.6296 2.8666 2.8769 3.2381 3.2490 3.7523 3.8620 7.5575 7.7335 8.2615 8.5132 9.2181 9.4088 12.0695 12.0766 k = 0.5000 0.3110-0.3289 ( 4152 PWs) bands (ev): -24.2371 -24.2371 -16.1168 -16.1115 -13.6132 -13.5951 -13.5195 -13.5040 -7.9294 -7.9254 -7.6734 -7.6707 -7.6621 -7.6544 -7.0873 -7.0603 -1.2155 -0.8693 -0.5606 -0.2480 0.0962 0.2906 1.4168 1.4223 1.5871 1.5924 2.6020 2.6519 2.8792 2.8893 3.2513 3.2619 3.7799 3.8931 7.5080 7.6912 8.1739 8.4149 9.1418 9.3256 12.0913 12.0979 k = 0.5000 0.3210-0.3390 ( 4156 PWs) bands (ev): -24.2370 -24.2370 -16.1085 -16.1033 -13.6157 -13.5985 -13.5243 -13.5104 -7.9311 -7.9277 -7.6762 -7.6730 -7.6638 -7.6568 -7.1230 -7.0965 -1.1572 -0.8098 -0.5228 -0.2180 0.0973 0.2897 1.4176 1.4228 1.5690 1.5741 2.6247 2.6755 2.8914 2.9012 3.2640 3.2744 3.8073 3.9238 7.4584 7.6484 8.0898 8.3183 9.0671 9.2439 12.1106 12.1166 k = 0.5000 0.3309-0.3491 ( 4154 PWs) bands (ev): -24.2369 -24.2369 -16.1004 -16.0953 -13.6182 -13.6020 -13.5287 -13.5163 -7.9329 -7.9299 -7.6793 -7.6753 -7.6653 -7.6591 -7.1571 -7.1311 -1.0995 -0.7508 -0.4878 -0.1908 0.0983 0.2872 1.4192 1.4241 1.5525 1.5574 2.6489 2.7000 2.9031 2.9126 3.2763 3.2863 3.8346 3.9540 7.4088 7.6051 8.0096 8.2240 8.9943 9.1640 12.1274 12.1328 k = 0.5000 0.3408-0.3591 ( 4152 PWs) bands (ev): -24.2367 -24.2367 -16.0926 -16.0877 -13.6207 -13.6055 -13.5326 -13.5218 -7.9348 -7.9321 -7.6826 -7.6777 -7.6667 -7.6613 -7.1894 -7.1640 -1.0427 -0.6924 -0.4557 -0.1664 0.0990 0.2834 1.4213 1.4259 1.5376 1.5423 2.6744 2.7255 2.9143 2.9234 3.2881 3.2978 3.8617 3.9834 7.3596 7.5614 7.9338 8.1322 8.9238 9.0861 12.1416 12.1463 k = 0.5000 0.3508-0.3692 ( 4146 PWs) bands (ev): -24.2366 -24.2366 -16.0851 -16.0804 -13.6232 -13.6089 -13.5362 -13.5270 -7.9368 -7.9341 -7.6860 -7.6801 -7.6680 -7.6634 -7.2199 -7.1951 -0.9868 -0.6349 -0.4266 -0.1445 0.0995 0.2780 1.4238 1.4281 1.5242 1.5286 2.7010 2.7515 2.9250 2.9337 3.2995 3.3088 3.8884 4.0119 7.3109 7.5173 7.8628 8.0434 8.8560 9.0108 12.1532 12.1572 k = 0.5000 0.3607-0.3793 ( 4150 PWs) bands (ev): -24.2365 -24.2365 -16.0779 -16.0735 -13.6256 -13.6123 -13.5395 -13.5317 -7.9389 -7.9360 -7.6896 -7.6825 -7.6692 -7.6655 -7.2486 -7.2245 -0.9321 -0.5785 -0.4007 -0.1250 0.0997 0.2711 1.4267 1.4306 1.5124 1.5165 2.7284 2.7779 2.9351 2.9433 3.3103 3.3192 3.9148 4.0393 7.2631 7.4730 7.7969 7.9581 8.7914 8.9382 12.1622 12.1657 k = 0.5000 0.3706-0.3893 ( 4152 PWs) bands (ev): -24.2364 -24.2364 -16.0712 -16.0669 -13.6279 -13.6155 -13.5424 -13.5360 -7.9410 -7.9378 -7.6931 -7.6851 -7.6704 -7.6673 -7.2752 -7.2519 -0.8789 -0.5233 -0.3780 -0.1075 0.0995 0.2626 1.4297 1.4333 1.5020 1.5059 2.7564 2.8044 2.9446 2.9523 3.3206 3.3291 3.9407 4.0652 7.2167 7.4286 7.7360 7.8768 8.7302 8.8688 12.1688 12.1718 k = 0.5000 0.3806-0.3994 ( 4154 PWs) bands (ev): -24.2363 -24.2363 -16.0648 -16.0608 -13.6301 -13.6186 -13.5451 -13.5399 -7.9430 -7.9395 -7.6966 -7.6877 -7.6715 -7.6691 -7.2998 -7.2774 -0.8272 -0.4697 -0.3587 -0.0917 0.0990 0.2526 1.4329 1.4361 1.4931 1.4966 2.7845 2.8306 2.9536 2.9607 3.3304 3.3383 3.9660 4.0893 7.1722 7.3842 7.6804 7.7999 8.6729 8.8028 12.1733 12.1759 k = 0.5000 0.3905-0.4095 ( 4156 PWs) bands (ev): -24.2362 -24.2362 -16.0588 -16.0551 -13.6321 -13.6216 -13.5475 -13.5435 -7.9450 -7.9412 -7.6999 -7.6903 -7.6725 -7.6707 -7.3223 -7.3009 -0.7774 -0.4179 -0.3427 -0.0773 0.0979 0.2411 1.4360 1.4389 1.4854 1.4886 2.8124 2.8561 2.9620 2.9684 3.3396 3.3469 3.9907 4.1115 7.1303 7.3402 7.6296 7.7279 8.6197 8.7406 12.1759 12.1781 k = 0.5000 0.4004-0.4195 ( 4158 PWs) bands (ev): -24.2361 -24.2361 -16.0533 -16.0499 -13.6340 -13.6244 -13.5496 -13.5466 -7.9468 -7.9428 -7.7031 -7.6930 -7.6735 -7.6721 -7.3426 -7.3224 -0.7295 -0.3691 -0.3291 -0.0639 0.0962 0.2279 1.4391 1.4416 1.4789 1.4818 2.8396 2.8807 2.9698 2.9754 3.3481 3.3549 4.0146 4.1314 7.0915 7.2967 7.5837 7.6616 8.5710 8.6823 12.1770 12.1789 k = 0.5000 0.4104-0.4296 ( 4160 PWs) bands (ev): -24.2360 -24.2360 -16.0483 -16.0452 -13.6357 -13.6270 -13.5515 -13.5494 -7.9485 -7.9444 -7.7061 -7.6958 -7.6743 -7.6734 -7.3607 -7.3418 -0.6837 -0.3335 -0.3079 -0.0512 0.0939 0.2131 1.4420 1.4442 1.4736 1.4761 2.8658 2.9039 2.9769 2.9818 3.3560 3.3622 4.0377 4.1488 7.0566 7.2541 7.5423 7.6013 8.5272 8.6285 12.1768 12.1785 k = 0.5000 0.4203-0.4397 ( 4164 PWs) bands (ev): -24.2359 -24.2359 -16.0438 -16.0410 -13.6372 -13.6294 -13.5533 -13.5517 -7.9500 -7.9459 -7.7087 -7.6985 -7.6752 -7.6745 -7.3765 -7.3592 -0.6402 -0.3239 -0.2664 -0.0391 0.0909 0.1967 1.4447 1.4466 1.4692 1.4714 2.8904 2.9252 2.9835 2.9877 3.3632 3.3687 4.0597 4.1634 7.0263 7.2125 7.5053 7.5477 8.4885 8.5791 12.1757 12.1772 k = 0.5000 0.4302-0.4498 ( 4164 PWs) bands (ev): -24.2359 -24.2359 -16.0398 -16.0373 -13.6384 -13.6316 -13.5548 -13.5538 -7.9513 -7.9473 -7.7109 -7.7012 -7.6759 -7.6754 -7.3901 -7.3746 -0.5990 -0.3225 -0.2223 -0.0275 0.0870 0.1786 1.4472 1.4488 1.4657 1.4675 2.9130 2.9443 2.9895 2.9931 3.3696 3.3745 4.0807 4.1751 7.0011 7.1722 7.4725 7.5011 8.4551 8.5347 12.1741 12.1754 k = 0.5000 0.4402-0.4598 ( 4176 PWs) bands (ev): -24.2358 -24.2358 -16.0363 -16.0342 -13.6394 -13.6336 -13.5561 -13.5555 -7.9523 -7.9487 -7.7128 -7.7038 -7.6765 -7.6763 -7.4014 -7.3879 -0.5604 -0.3254 -0.1796 -0.0162 0.0824 0.1588 1.4494 1.4506 1.4630 1.4644 2.9331 2.9605 2.9950 2.9982 3.3753 3.3794 4.1004 4.1837 6.9815 7.1338 7.4440 7.4617 8.4273 8.4952 12.1721 12.1732 k = 0.5000 0.4501-0.4699 ( 4178 PWs) bands (ev): -24.2358 -24.2358 -16.0333 -16.0316 -13.6401 -13.6354 -13.5572 -13.5568 -7.9531 -7.9499 -7.7141 -7.7063 -7.6771 -7.6769 -7.4105 -7.3992 -0.5244 -0.3321 -0.1388 -0.0053 0.0770 0.1374 1.4512 1.4521 1.4610 1.4621 2.9503 2.9732 3.0004 3.0031 3.3801 3.3835 4.1186 4.1891 6.9680 7.0976 7.4199 7.4296 8.4052 8.4611 12.1701 12.1710 k = 0.5000 0.4600-0.4800 ( 4178 PWs) bands (ev): -24.2357 -24.2357 -16.0309 -16.0296 -13.6406 -13.6369 -13.5580 -13.5579 -7.9537 -7.9510 -7.7150 -7.7087 -7.6775 -7.6774 -7.4174 -7.4085 -0.4910 -0.3423 -0.1001 0.0049 0.0710 0.1144 1.4525 1.4531 1.4598 1.4605 2.9641 2.9819 3.0059 3.0078 3.3841 3.3867 4.1354 4.1913 6.9608 7.0642 7.4002 7.4047 8.3889 8.4323 12.1683 12.1689 k = 0.5000 0.4700-0.4900 ( 4170 PWs) bands (ev): -24.2357 -24.2357 -16.0291 -16.0282 -13.6408 -13.6382 -13.5587 -13.5586 -7.9539 -7.9520 -7.7153 -7.7107 -7.6778 -7.6778 -7.4221 -7.4157 -0.4604 -0.3559 -0.0637 0.0140 0.0644 0.0903 1.4533 1.4535 1.4592 1.4596 2.9746 2.9867 3.0111 3.0120 3.3872 3.3891 4.1503 4.1905 6.9599 7.0344 7.3852 7.3868 8.3785 8.4092 12.1668 12.1673 k = 0.5000 0.4799-0.5001 ( 4166 PWs) bands (ev): -24.2357 -24.2357 -16.0278 -16.0273 -13.6407 -13.6392 -13.5591 -13.5591 -7.9539 -7.9528 -7.7152 -7.7125 -7.6781 -7.6780 -7.4246 -7.4209 -0.4326 -0.3726 -0.0301 0.0199 0.0578 0.0670 1.4536 1.4537 1.4590 1.4592 2.9818 2.9885 3.0151 3.0152 3.3893 3.3904 4.1633 4.1867 6.9653 7.0087 7.3752 7.3755 8.3742 8.3918 12.1658 12.1661 k = 0.5133 0.4930 0.4731 ( 4166 PWs) bands (ev): -24.2357 -24.2357 -16.0278 -16.0273 -13.6407 -13.6392 -13.5591 -13.5591 -7.9539 -7.9528 -7.7152 -7.7125 -7.6781 -7.6780 -7.4246 -7.4209 -0.4326 -0.3726 -0.0301 0.0200 0.0578 0.0670 1.4537 1.4537 1.4590 1.4592 2.9818 2.9885 3.0151 3.0152 3.3893 3.3904 4.1633 4.1867 6.9653 7.0087 7.3752 7.3755 8.3742 8.3918 12.1658 12.1661 k = 0.5067 0.4931 0.4799 ( 4158 PWs) bands (ev): -24.2357 -24.2357 -16.0273 -16.0270 -13.6405 -13.6398 -13.5593 -13.5593 -7.9538 -7.9532 -7.7148 -7.7134 -7.6781 -7.6781 -7.4251 -7.4232 -0.4156 -0.3856 -0.0096 0.0183 0.0539 0.0556 1.4537 1.4537 1.4591 1.4591 2.9851 2.9884 3.0166 3.0166 3.3903 3.3908 4.1708 4.1826 6.9724 6.9942 7.3715 7.3715 8.3746 8.3834 12.1654 12.1656 k = 0.5000 0.4932 0.4866 ( 4152 PWs) bands (ev): -24.2357 -24.2357 -16.0270 -16.0270 -13.6402 -13.6402 -13.5593 -13.5593 -7.9536 -7.9536 -7.7142 -7.7142 -7.6781 -7.6781 -7.4246 -7.4246 -0.3999 -0.3999 0.0077 0.0077 0.0520 0.0520 1.4537 1.4537 1.4591 1.4591 2.9872 2.9872 3.0171 3.0171 3.3908 3.3908 4.1773 4.1773 6.9821 6.9821 7.3702 7.3702 8.3777 8.3777 12.1654 12.1654 k = 0.5000 0.4932 0.4866 ( 4152 PWs) bands (ev): -24.2357 -24.2357 -16.0270 -16.0270 -13.6402 -13.6402 -13.5593 -13.5593 -7.9536 -7.9536 -7.7142 -7.7142 -7.6781 -7.6781 -7.4246 -7.4246 -0.3999 -0.3999 0.0077 0.0077 0.0520 0.0520 1.4537 1.4537 1.4591 1.4591 2.9872 2.9872 3.0171 3.0171 3.3908 3.3908 4.1773 4.1773 6.9821 6.9821 7.3702 7.3702 8.3777 8.3777 12.1654 12.1654 k = 0.4917 0.4850 0.4785 ( 4158 PWs) bands (ev): -24.2357 -24.2357 -16.0274 -16.0274 -13.6400 -13.6400 -13.5592 -13.5592 -7.9536 -7.9536 -7.7143 -7.7143 -7.6781 -7.6781 -7.4232 -7.4232 -0.4013 -0.4013 0.0067 0.0067 0.0502 0.0504 1.4540 1.4543 1.4596 1.4596 2.9868 2.9868 3.0166 3.0166 3.3904 3.3904 4.1751 4.1751 6.9848 6.9848 7.3729 7.3731 8.3798 8.3798 12.1655 12.1655 k = 0.4833 0.4768 0.4704 ( 4161 PWs) bands (ev): -24.2357 -24.2357 -16.0284 -16.0284 -13.6395 -13.6395 -13.5587 -13.5586 -7.9536 -7.9536 -7.7146 -7.7146 -7.6779 -7.6779 -7.4189 -7.4189 -0.4052 -0.4052 0.0038 0.0038 0.0452 0.0454 1.4552 1.4559 1.4610 1.4610 2.9856 2.9856 3.0152 3.0153 3.3894 3.3894 4.1688 4.1688 6.9929 6.9929 7.3814 7.3818 8.3863 8.3863 12.1658 12.1658 k = 0.4750 0.4685 0.4623 ( 4167 PWs) bands (ev): -24.2357 -24.2357 -16.0300 -16.0300 -13.6386 -13.6386 -13.5578 -13.5578 -7.9536 -7.9536 -7.7149 -7.7149 -7.6776 -7.6776 -7.4120 -7.4120 -0.4118 -0.4118 -0.0011 -0.0011 0.0368 0.0372 1.4573 1.4583 1.4633 1.4633 2.9836 2.9836 3.0129 3.0132 3.3876 3.3876 4.1583 4.1583 7.0065 7.0065 7.3955 7.3961 8.3970 8.3970 12.1662 12.1662 k = 0.4667 0.4603 0.4542 ( 4161 PWs) bands (ev): -24.2358 -24.2358 -16.0323 -16.0323 -13.6374 -13.6374 -13.5566 -13.5566 -7.9536 -7.9536 -7.7154 -7.7154 -7.6772 -7.6772 -7.4023 -7.4023 -0.4211 -0.4210 -0.0079 -0.0079 0.0251 0.0257 1.4603 1.4616 1.4666 1.4666 2.9808 2.9808 3.0099 3.0102 3.3852 3.3852 4.1437 4.1437 7.0254 7.0254 7.4152 7.4161 8.4119 8.4119 12.1667 12.1667 k = 0.4583 0.4521 0.4461 ( 4161 PWs) bands (ev): -24.2358 -24.2358 -16.0353 -16.0353 -13.6358 -13.6358 -13.5551 -13.5550 -7.9536 -7.9536 -7.7158 -7.7158 -7.6767 -7.6767 -7.3901 -7.3901 -0.4330 -0.4330 -0.0165 -0.0165 0.0103 0.0109 1.4643 1.4659 1.4708 1.4708 2.9773 2.9773 3.0059 3.0063 3.3821 3.3821 4.1253 4.1253 7.0496 7.0496 7.4404 7.4415 8.4308 8.4308 12.1671 12.1671 k = 0.4500 0.4439 0.4379 ( 4149 PWs) bands (ev): -24.2359 -24.2359 -16.0389 -16.0389 -13.6338 -13.6338 -13.5532 -13.5531 -7.9536 -7.9536 -7.7161 -7.7161 -7.6761 -7.6761 -7.3754 -7.3754 -0.4476 -0.4476 -0.0267 -0.0267 -0.0077 -0.0069 1.4692 1.4711 1.4760 1.4760 2.9730 2.9730 3.0013 3.0017 3.3784 3.3784 4.1031 4.1031 7.0790 7.0790 7.4710 7.4723 8.4536 8.4536 12.1673 12.1673 k = 0.4417 0.4357 0.4298 ( 4149 PWs) bands (ev): -24.2359 -24.2359 -16.0431 -16.0431 -13.6316 -13.6316 -13.5510 -13.5509 -7.9534 -7.9534 -7.7163 -7.7163 -7.6754 -7.6753 -7.3584 -7.3584 -0.4649 -0.4649 -0.0385 -0.0385 -0.0287 -0.0279 1.4750 1.4772 1.4821 1.4821 2.9681 2.9681 2.9958 2.9963 3.3739 3.3739 4.0773 4.0773 7.1133 7.1133 7.5068 7.5083 8.4802 8.4802 12.1670 12.1670 k = 0.4333 0.4274 0.4217 ( 4158 PWs) bands (ev): -24.2360 -24.2360 -16.0479 -16.0479 -13.6289 -13.6289 -13.5485 -13.5484 -7.9532 -7.9532 -7.7164 -7.7164 -7.6745 -7.6745 -7.3392 -7.3392 -0.4849 -0.4849 -0.0526 -0.0519 -0.0519 -0.0517 1.4818 1.4842 1.4892 1.4892 2.9625 2.9625 2.9897 2.9903 3.3689 3.3689 4.0482 4.0482 7.1526 7.1526 7.5477 7.5494 8.5103 8.5103 12.1659 12.1659 k = 0.4250 0.4192 0.4136 ( 4146 PWs) bands (ev): -24.2361 -24.2361 -16.0533 -16.0533 -13.6260 -13.6260 -13.5456 -13.5455 -7.9528 -7.9528 -7.7161 -7.7161 -7.6736 -7.6736 -7.3179 -7.3179 -0.5076 -0.5076 -0.0794 -0.0784 -0.0666 -0.0666 1.4895 1.4921 1.4972 1.4972 2.9564 2.9564 2.9829 2.9836 3.3632 3.3632 4.0160 4.0160 7.1966 7.1966 7.5934 7.5954 8.5437 8.5437 12.1639 12.1639 k = 0.4167 0.4110 0.4055 ( 4143 PWs) bands (ev): -24.2362 -24.2362 -16.0592 -16.0592 -13.6227 -13.6227 -13.5424 -13.5423 -7.9523 -7.9523 -7.7156 -7.7156 -7.6726 -7.6725 -7.2946 -7.2946 -0.5330 -0.5330 -0.1088 -0.1078 -0.0825 -0.0825 1.4981 1.5010 1.5062 1.5062 2.9496 2.9496 2.9756 2.9763 3.3569 3.3569 3.9811 3.9811 7.2451 7.2451 7.6439 7.6460 8.5802 8.5802 12.1605 12.1605 k = 0.4083 0.4028 0.3974 ( 4149 PWs) bands (ev): -24.2363 -24.2363 -16.0658 -16.0658 -13.6191 -13.6191 -13.5390 -13.5388 -7.9517 -7.9517 -7.7149 -7.7149 -7.6715 -7.6714 -7.2695 -7.2695 -0.5609 -0.5609 -0.1408 -0.1398 -0.0997 -0.0997 1.5077 1.5107 1.5161 1.5161 2.9424 2.9424 2.9677 2.9685 3.3500 3.3500 3.9436 3.9436 7.2981 7.2981 7.6988 7.7012 8.6196 8.6196 12.1553 12.1553 k = 0.4000 0.3946 0.3893 ( 4155 PWs) bands (ev): -24.2364 -24.2364 -16.0728 -16.0728 -13.6152 -13.6152 -13.5352 -13.5350 -7.9508 -7.9508 -7.7138 -7.7138 -7.6703 -7.6702 -7.2425 -7.2425 -0.5914 -0.5914 -0.1752 -0.1742 -0.1179 -0.1179 1.5183 1.5214 1.5269 1.5269 2.9347 2.9347 2.9594 2.9602 3.3426 3.3426 3.9039 3.9039 7.3551 7.3551 7.7580 7.7607 8.6615 8.6615 12.1480 12.1480 k = 0.3917 0.3863 0.3812 ( 4161 PWs) bands (ev): -24.2365 -24.2365 -16.0803 -16.0803 -13.6109 -13.6109 -13.5311 -13.5310 -7.9498 -7.9498 -7.7124 -7.7124 -7.6690 -7.6690 -7.2138 -7.2138 -0.6243 -0.6243 -0.2118 -0.2108 -0.1373 -0.1372 1.5297 1.5331 1.5387 1.5387 2.9266 2.9266 2.9506 2.9516 3.3346 3.3346 3.8622 3.8622 7.4161 7.4161 7.8212 7.8242 8.7058 8.7058 12.1380 12.1380 k = 0.3833 0.3781 0.3731 ( 4167 PWs) bands (ev): -24.2367 -24.2367 -16.0883 -16.0883 -13.6064 -13.6064 -13.5268 -13.5266 -7.9486 -7.9486 -7.7108 -7.7108 -7.6677 -7.6676 -7.1834 -7.1834 -0.6596 -0.6596 -0.2505 -0.2495 -0.1576 -0.1576 1.5421 1.5456 1.5513 1.5513 2.9182 2.9182 2.9415 2.9425 3.3261 3.3261 3.8189 3.8189 7.4809 7.4809 7.8882 7.8915 8.7522 8.7522 12.1249 12.1249 k = 0.3750 0.3699 0.3650 ( 4167 PWs) bands (ev): -24.2368 -24.2368 -16.0968 -16.0968 -13.6016 -13.6016 -13.5221 -13.5219 -7.9473 -7.9473 -7.7088 -7.7088 -7.6663 -7.6663 -7.1514 -7.1514 -0.6970 -0.6970 -0.2911 -0.2901 -0.1789 -0.1789 1.5555 1.5590 1.5649 1.5649 2.9094 2.9094 2.9322 2.9332 3.3171 3.3171 3.7743 3.7743 7.5491 7.5491 7.9589 7.9624 8.8004 8.8004 12.1083 12.1083 k = 0.3667 0.3617 0.3568 ( 4167 PWs) bands (ev): -24.2369 -24.2369 -16.1057 -16.1057 -13.5966 -13.5966 -13.5172 -13.5170 -7.9457 -7.9457 -7.7066 -7.7066 -7.6649 -7.6648 -7.1178 -7.1178 -0.7364 -0.7364 -0.3334 -0.3325 -0.2011 -0.2011 1.5697 1.5734 1.5794 1.5794 2.9004 2.9004 2.9225 2.9236 3.3077 3.3077 3.7287 3.7287 7.6206 7.6206 8.0329 8.0367 8.8500 8.8500 12.0876 12.0876 k = 0.3583 0.3535 0.3487 ( 4164 PWs) bands (ev): -24.2371 -24.2371 -16.1149 -16.1149 -13.5912 -13.5912 -13.5121 -13.5119 -7.9440 -7.9440 -7.7042 -7.7042 -7.6633 -7.6633 -7.0827 -7.0827 -0.7778 -0.7778 -0.3774 -0.3765 -0.2244 -0.2244 1.5848 1.5885 1.5948 1.5948 2.8912 2.8912 2.9127 2.9138 3.2978 3.2978 3.6822 3.6823 7.6951 7.6951 8.1100 8.1141 8.9009 8.9009 12.0628 12.0628 k = 0.3500 0.3452 0.3406 ( 4146 PWs) bands (ev): -24.2373 -24.2373 -16.1245 -16.1245 -13.5856 -13.5856 -13.5067 -13.5065 -7.9422 -7.9422 -7.7015 -7.7015 -7.6618 -7.6617 -7.0461 -7.0461 -0.8208 -0.8208 -0.4227 -0.4219 -0.2487 -0.2487 1.6008 1.6046 1.6110 1.6110 2.8818 2.8818 2.9027 2.9039 3.2875 3.2875 3.6354 3.6354 7.7723 7.7723 8.1900 8.1944 8.9526 8.9526 12.0336 12.0336 k = 0.3417 0.3370 0.3325 ( 4131 PWs) bands (ev): -24.2374 -24.2374 -16.1344 -16.1344 -13.5798 -13.5798 -13.5011 -13.5008 -7.9402 -7.9402 -7.6986 -7.6986 -7.6602 -7.6602 -7.0081 -7.0081 -0.8653 -0.8653 -0.4693 -0.4685 -0.2739 -0.2739 1.6176 1.6215 1.6280 1.6280 2.8723 2.8723 2.8926 2.8939 3.2769 3.2769 3.5883 3.5883 7.8522 7.8522 8.2727 8.2774 9.0048 9.0048 12.0003 12.0003 k = 0.3333 0.3288 0.3244 ( 4131 PWs) bands (ev): -24.2376 -24.2376 -16.1446 -16.1446 -13.5738 -13.5738 -13.4952 -13.4950 -7.9381 -7.9381 -7.6956 -7.6956 -7.6586 -7.6586 -6.9686 -6.9686 -0.9112 -0.9112 -0.5169 -0.5162 -0.3003 -0.3003 1.6352 1.6391 1.6458 1.6458 2.8626 2.8626 2.8825 2.8838 3.2659 3.2659 3.5413 3.5413 7.9343 7.9343 8.3578 8.3628 9.0573 9.0573 11.9630 11.9630 k = 0.3250 0.3206 0.3163 ( 4131 PWs) bands (ev): -24.2378 -24.2378 -16.1551 -16.1551 -13.5675 -13.5675 -13.4892 -13.4890 -7.9359 -7.9359 -7.6924 -7.6924 -7.6570 -7.6569 -6.9278 -6.9278 -0.9583 -0.9583 -0.5654 -0.5648 -0.3277 -0.3277 1.6536 1.6575 1.6644 1.6644 2.8529 2.8529 2.8723 2.8737 3.2546 3.2546 3.4945 3.4945 8.0185 8.0185 8.4451 8.4504 9.1095 9.1095 11.9223 11.9223 k = 0.3167 0.3124 0.3082 ( 4131 PWs) bands (ev): -24.2380 -24.2380 -16.1657 -16.1657 -13.5611 -13.5611 -13.4830 -13.4827 -7.9337 -7.9337 -7.6891 -7.6891 -7.6554 -7.6553 -6.8856 -6.8856 -1.0063 -1.0063 -0.6147 -0.6141 -0.3562 -0.3562 1.6727 1.6767 1.6836 1.6836 2.8432 2.8432 2.8621 2.8636 3.2430 3.2430 3.4483 3.4483 8.1044 8.1044 8.5343 8.5400 9.1613 9.1613 11.8789 11.8789 k = 0.3083 0.3041 0.3001 ( 4131 PWs) bands (ev): -24.2382 -24.2382 -16.1766 -16.1766 -13.5545 -13.5545 -13.4766 -13.4763 -7.9314 -7.9314 -7.6858 -7.6858 -7.6538 -7.6537 -6.8422 -6.8422 -1.0552 -1.0552 -0.6646 -0.6640 -0.3859 -0.3859 1.6926 1.6965 1.7036 1.7036 2.8334 2.8334 2.8520 2.8535 3.2312 3.2312 3.4029 3.4029 8.1919 8.1919 8.6254 8.6314 9.2120 9.2120 11.8334 11.8334 k = 0.3000 0.2959 0.2920 ( 4143 PWs) bands (ev): -24.2384 -24.2384 -16.1877 -16.1877 -13.5477 -13.5477 -13.4700 -13.4698 -7.9291 -7.9291 -7.6824 -7.6824 -7.6521 -7.6521 -6.7974 -6.7974 -1.1047 -1.1047 -0.7148 -0.7143 -0.4168 -0.4168 1.7131 1.7170 1.7243 1.7243 2.8237 2.8237 2.8419 2.8435 3.2192 3.2192 3.3583 3.3583 8.2807 8.2807 8.7180 8.7243 9.2615 9.2615 11.7867 11.7867 k = 0.2917 0.2877 0.2839 ( 4143 PWs) bands (ev): -24.2386 -24.2386 -16.1988 -16.1988 -13.5408 -13.5408 -13.4633 -13.4631 -7.9268 -7.9268 -7.6790 -7.6790 -7.6505 -7.6505 -6.7515 -6.7515 -1.1547 -1.1547 -0.7654 -0.7649 -0.4488 -0.4488 1.7342 1.7381 1.7455 1.7455 2.8141 2.8141 2.8320 2.8336 3.2070 3.2070 3.3150 3.3150 8.3705 8.3705 8.8119 8.8186 9.3091 9.3091 11.7396 11.7396 k = 0.2833 0.2795 0.2757 ( 4137 PWs) bands (ev): -24.2388 -24.2388 -16.2100 -16.2100 -13.5337 -13.5337 -13.4565 -13.4563 -7.9245 -7.9245 -7.6756 -7.6756 -7.6489 -7.6488 -6.7044 -6.7044 -1.2051 -1.2051 -0.8160 -0.8157 -0.4821 -0.4821 1.7559 1.7598 1.7673 1.7673 2.8046 2.8046 2.8221 2.8238 3.1946 3.1946 3.2729 3.2729 8.4609 8.4609 8.9069 8.9140 9.3547 9.3547 11.6927 11.6927 k = 0.2750 0.2713 0.2676 ( 4134 PWs) bands (ev): -24.2390 -24.2390 -16.2213 -16.2213 -13.5265 -13.5265 -13.4496 -13.4493 -7.9222 -7.9222 -7.6723 -7.6723 -7.6473 -7.6473 -6.6561 -6.6561 -1.2556 -1.2556 -0.8667 -0.8664 -0.5167 -0.5167 1.7781 1.7820 1.7897 1.7897 2.7951 2.7951 2.8125 2.8141 3.1822 3.1822 3.2323 3.2323 8.5518 8.5518 9.0029 9.0103 9.3977 9.3977 11.6470 11.6470 k = 0.2667 0.2630 0.2595 ( 4140 PWs) bands (ev): -24.2392 -24.2392 -16.2326 -16.2326 -13.5193 -13.5193 -13.4426 -13.4423 -7.9200 -7.9200 -7.6690 -7.6690 -7.6458 -7.6457 -6.6067 -6.6067 -1.3061 -1.3061 -0.9172 -0.9169 -0.5524 -0.5524 1.8008 1.8047 1.8125 1.8125 2.7858 2.7858 2.8029 2.8047 3.1695 3.1695 3.1933 3.1933 8.6426 8.6426 9.0995 9.1073 9.4378 9.4378 11.6031 11.6031 k = 0.2583 0.2548 0.2514 ( 4140 PWs) bands (ev): -24.2394 -24.2394 -16.2440 -16.2440 -13.5119 -13.5119 -13.4355 -13.4353 -7.9179 -7.9179 -7.6658 -7.6658 -7.6443 -7.6442 -6.5564 -6.5564 -1.3565 -1.3565 -0.9674 -0.9672 -0.5894 -0.5894 1.8240 1.8279 1.8357 1.8357 2.7767 2.7767 2.7936 2.7954 3.1537 3.1537 3.1592 3.1592 8.7330 8.7330 9.1966 9.2048 9.4747 9.4747 11.5617 11.5617 k = 0.2500 0.2466 0.2433 ( 4134 PWs) bands (ev): -24.2397 -24.2397 -16.2552 -16.2552 -13.5046 -13.5046 -13.4284 -13.4281 -7.9158 -7.9158 -7.6627 -7.6627 -7.6428 -7.6427 -6.5050 -6.5050 -1.4066 -1.4066 -1.0172 -1.0170 -0.6276 -0.6276 1.8475 1.8513 1.8593 1.8593 2.7677 2.7677 2.7845 2.7864 3.1197 3.1197 3.1451 3.1451 8.8224 8.8224 9.2940 9.3026 9.5085 9.5085 11.5233 11.5233 k = 0.2417 0.2384 0.2352 ( 4140 PWs) bands (ev): -24.2399 -24.2399 -16.2664 -16.2664 -13.4971 -13.4971 -13.4213 -13.4210 -7.9138 -7.9138 -7.6598 -7.6598 -7.6413 -7.6413 -6.4528 -6.4528 -1.4564 -1.4564 -1.0664 -1.0664 -0.6670 -0.6670 1.8713 1.8751 1.8831 1.8831 2.7589 2.7589 2.7757 2.7775 3.0861 3.0861 3.1325 3.1325 8.9102 8.9102 9.3915 9.4004 9.5391 9.5391 11.4885 11.4885 k = 0.2333 0.2302 0.2271 ( 4164 PWs) bands (ev): -24.2401 -24.2401 -16.2775 -16.2775 -13.4897 -13.4897 -13.4141 -13.4138 -7.9120 -7.9120 -7.6571 -7.6571 -7.6400 -7.6399 -6.3998 -6.3998 -1.5057 -1.5057 -1.1151 -1.1150 -0.7076 -0.7075 1.8953 1.8991 1.9072 1.9072 2.7503 2.7503 2.7670 2.7689 3.0542 3.0542 3.1200 3.1200 8.9954 8.9954 9.4889 9.4982 9.5670 9.5670 11.4578 11.4578 k = 0.2250 0.2219 0.2190 ( 4164 PWs) bands (ev): -24.2403 -24.2403 -16.2885 -16.2885 -13.4823 -13.4823 -13.4069 -13.4067 -7.9102 -7.9102 -7.6545 -7.6545 -7.6386 -7.6386 -6.3460 -6.3460 -1.5544 -1.5544 -1.1629 -1.1629 -0.7491 -0.7491 1.9195 1.9233 1.9315 1.9315 2.7420 2.7420 2.7586 2.7605 3.0243 3.0243 3.1077 3.1077 9.0767 9.0767 9.5860 9.5931 9.5931 9.5956 11.4313 11.4313 k = 0.2167 0.2137 0.2109 ( 4152 PWs) bands (ev): -24.2406 -24.2406 -16.2993 -16.2993 -13.4749 -13.4749 -13.3998 -13.3995 -7.9085 -7.9085 -7.6520 -7.6520 -7.6373 -7.6373 -6.2916 -6.2916 -1.6024 -1.6024 -1.2100 -1.2099 -0.7917 -0.7917 1.9438 1.9476 1.9559 1.9559 2.7339 2.7339 2.7505 2.7525 2.9963 2.9963 3.0956 3.0956 9.1523 9.1523 9.6190 9.6190 9.6825 9.6925 11.4092 11.4092 k = 0.2083 0.2055 0.2028 ( 4152 PWs) bands (ev): -24.2408 -24.2408 -16.3099 -16.3099 -13.4676 -13.4676 -13.3927 -13.3925 -7.9069 -7.9069 -7.6498 -7.6498 -7.6361 -7.6360 -6.2367 -6.2367 -1.6495 -1.6495 -1.2560 -1.2560 -0.8352 -0.8352 1.9682 1.9719 1.9803 1.9803 2.7260 2.7260 2.7426 2.7447 2.9702 2.9702 3.0836 3.0836 9.2195 9.2196 9.6471 9.6471 9.7783 9.7886 11.3916 11.3916 k = 0.2000 0.1973 0.1946 ( 4143 PWs) bands (ev): -24.2410 -24.2410 -16.3203 -16.3203 -13.4603 -13.4603 -13.3857 -13.3855 -7.9055 -7.9055 -7.6478 -7.6478 -7.6349 -7.6349 -6.1813 -6.1813 -1.6958 -1.6958 -1.3010 -1.3009 -0.8795 -0.8795 1.9925 1.9962 2.0046 2.0046 2.7184 2.7184 2.7351 2.7371 2.9460 2.9460 3.0718 3.0718 9.2754 9.2754 9.6805 9.6805 9.8732 9.8838 11.3784 11.3784 k = 0.1917 0.1891 0.1865 ( 4137 PWs) bands (ev): -24.2412 -24.2412 -16.3305 -16.3305 -13.4531 -13.4531 -13.3788 -13.3785 -7.9042 -7.9042 -7.6459 -7.6459 -7.6338 -7.6337 -6.1256 -6.1256 -1.7410 -1.7410 -1.3449 -1.3448 -0.9245 -0.9245 2.0168 2.0204 2.0289 2.0289 2.7111 2.7111 2.7278 2.7299 2.9238 2.9238 3.0602 3.0602 9.3171 9.3171 9.7222 9.7222 9.9669 9.9779 11.3693 11.3693 k = 0.1833 0.1808 0.1784 ( 4137 PWs) bands (ev): -24.2415 -24.2415 -16.3404 -16.3404 -13.4461 -13.4461 -13.3720 -13.3717 -7.9030 -7.9030 -7.6443 -7.6443 -7.6327 -7.6327 -6.0698 -6.0698 -1.7852 -1.7852 -1.3875 -1.3873 -0.9701 -0.9701 2.0408 2.0444 2.0529 2.0529 2.7041 2.7041 2.7208 2.7229 2.9033 2.9033 3.0489 3.0489 9.3435 9.3435 9.7734 9.7734 10.0593 10.0705 11.3641 11.3641 k = 0.1750 0.1726 0.1703 ( 4140 PWs) bands (ev): -24.2417 -24.2417 -16.3501 -16.3501 -13.4391 -13.4391 -13.3653 -13.3650 -7.9019 -7.9019 -7.6428 -7.6428 -7.6317 -7.6317 -6.0139 -6.0139 -1.8282 -1.8282 -1.4287 -1.4286 -1.0160 -1.0160 2.0646 2.0681 2.0767 2.0767 2.6973 2.6973 2.7141 2.7163 2.8847 2.8847 3.0379 3.0379 9.3561 9.3561 9.8330 9.8330 10.1502 10.1617 11.3623 11.3623 k = 0.1667 0.1644 0.1622 ( 4122 PWs) bands (ev): -24.2419 -24.2419 -16.3594 -16.3594 -13.4323 -13.4323 -13.3587 -13.3585 -7.9009 -7.9009 -7.6415 -7.6415 -7.6308 -7.6307 -5.9581 -5.9581 -1.8700 -1.8700 -1.4686 -1.4684 -1.0622 -1.0622 2.0880 2.0915 2.1001 2.1001 2.6908 2.6908 2.7077 2.7099 2.8678 2.8678 3.0272 3.0272 9.3574 9.3575 9.8987 9.8987 10.2393 10.2510 11.3636 11.3636 k = 0.1583 0.1562 0.1541 ( 4121 PWs) bands (ev): -24.2421 -24.2421 -16.3684 -16.3684 -13.4257 -13.4257 -13.3524 -13.3522 -7.9001 -7.9001 -7.6404 -7.6404 -7.6299 -7.6299 -5.9027 -5.9027 -1.9104 -1.9104 -1.5070 -1.5068 -1.1084 -1.1084 2.1110 2.1144 2.1231 2.1231 2.6846 2.6846 2.7016 2.7038 2.8525 2.8525 3.0169 3.0169 9.3505 9.3505 9.9681 9.9681 10.3264 10.3384 11.3675 11.3675 k = 0.1500 0.1480 0.1460 ( 4121 PWs) bands (ev): -24.2423 -24.2423 -16.3770 -16.3770 -13.4193 -13.4193 -13.3462 -13.3460 -7.8993 -7.8993 -7.6395 -7.6395 -7.6291 -7.6290 -5.8477 -5.8477 -1.9495 -1.9495 -1.5438 -1.5436 -1.1544 -1.1544 2.1335 2.1368 2.1455 2.1455 2.6787 2.6787 2.6958 2.6980 2.8387 2.8387 3.0069 3.0069 9.3375 9.3375 10.0391 10.0391 10.4114 10.4235 11.3736 11.3736 k = 0.1417 0.1397 0.1379 ( 4127 PWs) bands (ev): -24.2425 -24.2425 -16.3853 -16.3853 -13.4132 -13.4132 -13.3402 -13.3400 -7.8987 -7.8987 -7.6388 -7.6388 -7.6283 -7.6283 -5.7935 -5.7935 -1.9871 -1.9871 -1.5790 -1.5788 -1.2001 -1.2001 2.1554 2.1587 2.1674 2.1674 2.6732 2.6732 2.6903 2.6925 2.8265 2.8265 2.9973 2.9974 9.3202 9.3202 10.1104 10.1104 10.4940 10.5063 11.3815 11.3815 k = 0.1333 0.1315 0.1298 ( 4121 PWs) bands (ev): -24.2427 -24.2427 -16.3932 -16.3932 -13.4072 -13.4072 -13.3345 -13.3343 -7.8981 -7.8981 -7.6382 -7.6382 -7.6276 -7.6276 -5.7401 -5.7401 -2.0232 -2.0232 -1.6126 -1.6123 -1.2452 -1.2452 2.1766 2.1798 2.1886 2.1886 2.6679 2.6679 2.6852 2.6874 2.8155 2.8155 2.9882 2.9882 9.3001 9.3001 10.1808 10.1808 10.5741 10.5864 11.3909 11.3909 k = 0.1250 0.1233 0.1217 ( 4124 PWs) bands (ev): -24.2428 -24.2428 -16.4007 -16.4007 -13.4015 -13.4015 -13.3290 -13.3288 -7.8976 -7.8976 -7.6377 -7.6377 -7.6270 -7.6269 -5.6879 -5.6879 -2.0578 -2.0578 -1.6443 -1.6441 -1.2894 -1.2894 2.1970 2.2002 2.2090 2.2090 2.6629 2.6629 2.6803 2.6825 2.8059 2.8059 2.9795 2.9795 9.2781 9.2781 10.2497 10.2497 10.6513 10.6637 11.4013 11.4013 k = 0.1167 0.1151 0.1135 ( 4124 PWs) bands (ev): -24.2430 -24.2430 -16.4078 -16.4078 -13.3961 -13.3961 -13.3238 -13.3236 -7.8973 -7.8973 -7.6374 -7.6374 -7.6264 -7.6264 -5.6371 -5.6371 -2.0907 -2.0907 -1.6743 -1.6741 -1.3325 -1.3325 2.2166 2.2197 2.2285 2.2285 2.6583 2.6583 2.6757 2.6779 2.7974 2.7974 2.9712 2.9712 9.2550 9.2550 10.3163 10.3163 10.7256 10.7380 11.4126 11.4126 k = 0.1083 0.1069 0.1054 ( 4130 PWs) bands (ev): -24.2432 -24.2432 -16.4144 -16.4144 -13.3909 -13.3909 -13.3188 -13.3187 -7.8970 -7.8970 -7.6371 -7.6371 -7.6259 -7.6258 -5.5879 -5.5879 -2.1219 -2.1219 -1.7025 -1.7023 -1.3743 -1.3743 2.2353 2.2383 2.2471 2.2471 2.6539 2.6539 2.6715 2.6736 2.7900 2.7900 2.9635 2.9635 9.2316 9.2316 10.3803 10.3803 10.7968 10.8090 11.4245 11.4245 k = 0.1000 0.0986 0.0973 ( 4127 PWs) bands (ev): -24.2433 -24.2433 -16.4207 -16.4207 -13.3861 -13.3861 -13.3142 -13.3140 -7.8967 -7.8967 -7.6370 -7.6370 -7.6254 -7.6253 -5.5406 -5.5406 -2.1513 -2.1513 -1.7287 -1.7285 -1.4144 -1.4144 2.2531 2.2559 2.2648 2.2648 2.6499 2.6499 2.6675 2.6696 2.7836 2.7836 2.9562 2.9562 9.2084 9.2084 10.4411 10.4411 10.8645 10.8766 11.4366 11.4366 k = 0.0917 0.0904 0.0892 ( 4121 PWs) bands (ev): -24.2434 -24.2434 -16.4264 -16.4264 -13.3816 -13.3816 -13.3098 -13.3097 -7.8965 -7.8965 -7.6369 -7.6369 -7.6249 -7.6249 -5.4955 -5.4955 -2.1789 -2.1789 -1.7530 -1.7528 -1.4526 -1.4526 2.2697 2.2724 2.2813 2.2813 2.6461 2.6461 2.6639 2.6659 2.7781 2.7781 2.9495 2.9495 9.1858 9.1858 10.4985 10.4985 10.9287 10.9405 11.4489 11.4489 k = 0.0833 0.0822 0.0811 ( 4124 PWs) bands (ev): -24.2436 -24.2436 -16.4317 -16.4317 -13.3774 -13.3774 -13.3058 -13.3057 -7.8964 -7.8964 -7.6369 -7.6369 -7.6245 -7.6245 -5.4530 -5.4530 -2.2046 -2.2046 -1.7754 -1.7752 -1.4887 -1.4886 2.2852 2.2878 2.2967 2.2967 2.6427 2.6427 2.6606 2.6625 2.7734 2.7734 2.9432 2.9432 9.1641 9.1641 10.5522 10.5522 10.9890 11.0005 11.4610 11.4610 k = 0.0750 0.0740 0.0730 ( 4124 PWs) bands (ev): -24.2437 -24.2437 -16.4366 -16.4366 -13.3736 -13.3736 -13.3021 -13.3020 -7.8963 -7.8963 -7.6369 -7.6369 -7.6242 -7.6242 -5.4132 -5.4132 -2.2282 -2.2282 -1.7957 -1.7955 -1.5222 -1.5222 2.2995 2.3019 2.3109 2.3109 2.6396 2.6396 2.6575 2.6594 2.7694 2.7694 2.9376 2.9376 9.1438 9.1438 10.6017 10.6017 11.0455 11.0565 11.4728 11.4728 k = 0.0667 0.0658 0.0649 ( 4130 PWs) bands (ev): -24.2438 -24.2438 -16.4409 -16.4409 -13.3702 -13.3702 -13.2988 -13.2987 -7.8962 -7.8962 -7.6370 -7.6370 -7.6239 -7.6239 -5.3765 -5.3765 -2.2498 -2.2498 -1.8139 -1.8138 -1.5531 -1.5531 2.3125 2.3147 2.3238 2.3238 2.6368 2.6368 2.6548 2.6566 2.7660 2.7660 2.9324 2.9324 9.1250 9.1250 10.6469 10.6469 11.0977 11.1082 11.4841 11.4841 k = 0.0583 0.0575 0.0568 ( 4118 PWs) bands (ev): -24.2439 -24.2439 -16.4447 -16.4447 -13.3671 -13.3671 -13.2958 -13.2957 -7.8962 -7.8962 -7.6370 -7.6370 -7.6236 -7.6236 -5.3433 -5.3433 -2.2691 -2.2691 -1.8301 -1.8300 -1.5810 -1.5809 2.3242 2.3262 2.3354 2.3354 2.6343 2.6343 2.6525 2.6540 2.7632 2.7632 2.9279 2.9279 9.1080 9.1080 10.6874 10.6874 11.1456 11.1554 11.4947 11.4947 k = 0.0500 0.0493 0.0487 ( 4133 PWs) bands (ev): -24.2440 -24.2440 -16.4481 -16.4481 -13.3644 -13.3644 -13.2933 -13.2932 -7.8962 -7.8962 -7.6371 -7.6371 -7.6234 -7.6234 -5.3138 -5.3138 -2.2862 -2.2862 -1.8442 -1.8441 -1.6056 -1.6056 2.3344 2.3362 2.3455 2.3455 2.6322 2.6322 2.6504 2.6518 2.7609 2.7609 2.9240 2.9240 9.0929 9.0929 10.7232 10.7232 11.1889 11.1980 11.5044 11.5044 k = 0.0417 0.0411 0.0406 ( 4139 PWs) bands (ev): -24.2441 -24.2441 -16.4509 -16.4509 -13.3622 -13.3622 -13.2911 -13.2910 -7.8962 -7.8962 -7.6372 -7.6372 -7.6232 -7.6232 -5.2883 -5.2883 -2.3008 -2.3008 -1.8562 -1.8561 -1.6269 -1.6269 2.3432 2.3448 2.3541 2.3541 2.6303 2.6303 2.6487 2.6499 2.7591 2.7591 2.9206 2.9206 9.0799 9.0799 10.7538 10.7538 11.2274 11.2355 11.5130 11.5130 k = 0.0333 0.0329 0.0324 ( 4139 PWs) bands (ev): -24.2441 -24.2441 -16.4533 -16.4533 -13.3603 -13.3603 -13.2892 -13.2892 -7.8962 -7.8962 -7.6373 -7.6373 -7.6231 -7.6231 -5.2670 -5.2670 -2.3130 -2.3130 -1.8660 -1.8659 -1.6446 -1.6446 2.3506 2.3518 2.3613 2.3613 2.6288 2.6288 2.6473 2.6483 2.7577 2.7577 2.9178 2.9178 9.0691 9.0691 10.7792 10.7792 11.2607 11.2676 11.5204 11.5204 k = 0.0250 0.0247 0.0243 ( 4148 PWs) bands (ev): -24.2442 -24.2442 -16.4551 -16.4551 -13.3588 -13.3588 -13.2878 -13.2878 -7.8962 -7.8962 -7.6374 -7.6374 -7.6230 -7.6229 -5.2502 -5.2502 -2.3225 -2.3225 -1.8736 -1.8735 -1.6585 -1.6585 2.3563 2.3573 2.3669 2.3669 2.6276 2.6276 2.6462 2.6470 2.7566 2.7566 2.9157 2.9157 9.0607 9.0607 10.7992 10.7992 11.2882 11.2938 11.5264 11.5264 k = 0.0167 0.0164 0.0162 ( 4142 PWs) bands (ev): -24.2442 -24.2442 -16.4564 -16.4564 -13.3578 -13.3578 -13.2868 -13.2868 -7.8962 -7.8962 -7.6375 -7.6375 -7.6229 -7.6229 -5.2380 -5.2380 -2.3294 -2.3294 -1.8791 -1.8790 -1.6685 -1.6685 2.3605 2.3612 2.3709 2.3709 2.6267 2.6267 2.6455 2.6460 2.7559 2.7559 2.9141 2.9141 9.0546 9.0546 10.8136 10.8136 11.3093 11.3133 11.5309 11.5309 k = 0.0083 0.0082 0.0081 ( 4139 PWs) bands (ev): -24.2442 -24.2442 -16.4572 -16.4572 -13.3571 -13.3571 -13.2862 -13.2862 -7.8962 -7.8962 -7.6375 -7.6375 -7.6228 -7.6228 -5.2307 -5.2307 -2.3336 -2.3336 -1.8823 -1.8823 -1.6745 -1.6745 2.3631 2.3634 2.3734 2.3734 2.6262 2.6262 2.6451 2.6454 2.7555 2.7555 2.9132 2.9132 9.0509 9.0509 10.8223 10.8223 11.3230 11.3251 11.5337 11.5337 k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -24.2442 -24.2442 -16.4574 -16.4574 -13.3569 -13.3569 -13.2860 -13.2860 -7.8962 -7.8962 -7.6376 -7.6376 -7.6228 -7.6228 -5.2282 -5.2282 -2.3350 -2.3350 -1.8834 -1.8834 -1.6766 -1.6766 2.3641 2.3641 2.3742 2.3742 2.6260 2.6260 2.6451 2.6451 2.7553 2.7553 2.9129 2.9129 9.0496 9.0496 10.8251 10.8251 11.3284 11.3284 11.5346 11.5346 k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -24.2442 -24.2442 -16.4574 -16.4574 -13.3569 -13.3569 -13.2860 -13.2860 -7.8962 -7.8962 -7.6376 -7.6376 -7.6228 -7.6228 -5.2282 -5.2282 -2.3350 -2.3350 -1.8834 -1.8834 -1.6766 -1.6766 2.3641 2.3641 2.3742 2.3742 2.6260 2.6260 2.6451 2.6451 2.7553 2.7553 2.9129 2.9129 9.0496 9.0496 10.8251 10.8251 11.3284 11.3284 11.5346 11.5346 k = 0.0101-0.0001-0.0102 ( 4148 PWs) bands (ev): -24.2442 -24.2442 -16.4573 -16.4570 -13.3576 -13.3566 -13.2862 -13.2862 -7.8969 -7.8956 -7.6383 -7.6369 -7.6228 -7.6228 -5.2310 -5.2295 -2.3552 -2.3130 -1.8850 -1.8844 -1.6943 -1.6488 2.3632 2.3633 2.3732 2.3736 2.6200 2.6259 2.6420 2.6430 2.7571 2.7643 2.9125 2.9131 9.0502 9.0532 10.8218 10.8242 11.3246 11.3247 11.5227 11.5374 k = 0.0201-0.0003-0.0204 ( 4130 PWs) bands (ev): -24.2442 -24.2442 -16.4567 -16.4561 -13.3588 -13.3568 -13.2868 -13.2868 -7.8975 -7.8949 -7.6390 -7.6363 -7.6227 -7.6227 -5.2380 -5.2350 -2.3733 -2.2898 -1.8906 -1.8860 -1.7003 -1.6131 2.3606 2.3610 2.3706 2.3715 2.6061 2.6169 2.6376 2.6411 2.7685 2.7807 2.9120 2.9132 9.0549 9.0610 10.8142 10.8191 11.3132 11.3143 11.5111 11.5241 k = 0.0302-0.0004-0.0306 ( 4134 PWs) bands (ev): -24.2442 -24.2442 -16.4555 -16.4547 -13.3604 -13.3573 -13.2879 -13.2878 -7.8982 -7.8943 -7.6397 -7.6357 -7.6227 -7.6227 -5.2490 -5.2445 -2.3890 -2.2657 -1.9003 -1.8869 -1.6943 -1.5712 2.3558 2.3573 2.3660 2.3680 2.5867 2.5985 2.6368 2.6409 2.7853 2.8005 2.9114 2.9131 9.0636 9.0729 10.8022 10.8098 11.2949 11.2982 11.5016 11.5089 k = 0.0403-0.0006-0.0408 ( 4126 PWs) bands (ev): -24.2441 -24.2441 -16.4538 -16.4528 -13.3625 -13.3584 -13.2894 -13.2891 -7.8988 -7.8938 -7.6405 -7.6352 -7.6227 -7.6226 -5.2639 -5.2579 -2.4021 -2.2413 -1.9126 -1.8863 -1.6775 -1.5241 2.3486 2.3518 2.3595 2.3634 2.5648 2.5764 2.6375 2.6418 2.8045 2.8218 2.9106 2.9130 9.0761 9.0890 10.7859 10.7966 11.2705 11.2775 11.4942 11.4949 k = 0.0503-0.0007-0.0510 ( 4130 PWs) bands (ev): -24.2441 -24.2441 -16.4517 -16.4503 -13.3650 -13.3598 -13.2914 -13.2908 -7.8994 -7.8933 -7.6412 -7.6348 -7.6226 -7.6224 -5.2827 -5.2751 -2.4123 -2.2168 -1.9257 -1.8837 -1.6518 -1.4727 2.3383 2.3436 2.3516 2.3576 2.5425 2.5533 2.6387 2.6433 2.8247 2.8435 2.9099 2.9128 9.0923 9.1090 10.7653 10.7796 11.2409 11.2530 11.4818 11.4893 k = 0.0604-0.0008-0.0612 ( 4132 PWs) bands (ev): -24.2440 -24.2440 -16.4490 -16.4474 -13.3681 -13.3618 -13.2937 -13.2928 -7.9000 -7.8928 -7.6419 -7.6345 -7.6226 -7.6223 -5.3052 -5.2959 -2.4195 -2.1926 -1.9380 -1.8786 -1.6188 -1.4174 2.3244 2.3308 2.3437 2.3509 2.5210 2.5308 2.6403 2.6451 2.8452 2.8652 2.9091 2.9126 9.1118 9.1328 10.7405 10.7591 11.2068 11.2253 11.4701 11.4859 k = 0.0705-0.0010-0.0714 ( 4126 PWs) bands (ev): -24.2439 -24.2439 -16.4458 -16.4440 -13.3716 -13.3641 -13.2965 -13.2950 -7.9005 -7.8924 -7.6426 -7.6342 -7.6227 -7.6222 -5.3310 -5.3202 -2.4238 -2.1690 -1.9485 -1.8708 -1.5796 -1.3587 2.3064 2.3131 2.3357 2.3434 2.5012 2.5099 2.6422 2.6472 2.8655 2.8866 2.9086 2.9126 9.1344 9.1603 10.7116 10.7351 11.1690 11.1946 11.4594 11.4838 k = 0.0805-0.0011-0.0816 ( 4126 PWs) bands (ev): -24.2438 -24.2438 -16.4422 -16.4401 -13.3757 -13.3670 -13.2996 -13.2974 -7.9010 -7.8921 -7.6432 -7.6340 -7.6227 -7.6220 -5.3601 -5.3476 -2.4252 -2.1463 -1.9567 -1.8603 -1.5349 -1.2971 2.2841 2.2907 2.3271 2.3350 2.4836 2.4913 2.6442 2.6495 2.8853 2.9053 2.9098 2.9136 9.1596 9.1913 10.6787 10.7081 11.1278 11.1611 11.4494 11.4824 k = 0.0906-0.0012-0.0919 ( 4128 PWs) bands (ev): -24.2437 -24.2437 -16.4380 -16.4357 -13.3803 -13.3703 -13.3030 -13.3000 -7.9015 -7.8919 -7.6438 -7.6339 -7.6229 -7.6219 -5.3921 -5.3780 -2.4238 -2.1248 -1.9619 -1.8467 -1.4853 -1.2328 2.2575 2.2640 2.3179 2.3260 2.4682 2.4751 2.6463 2.6518 2.9025 2.9082 2.9139 2.9299 9.1869 9.2253 10.6419 10.6784 11.0835 11.1249 11.4400 11.4813 k = 0.1007-0.0014-0.1021 ( 4130 PWs) bands (ev): -24.2436 -24.2436 -16.4334 -16.4309 -13.3854 -13.3740 -13.3067 -13.3028 -7.9019 -7.8917 -7.6443 -7.6338 -7.6231 -7.6218 -5.4268 -5.4111 -2.4198 -2.1049 -1.9634 -1.8302 -1.4316 -1.1661 2.2271 2.2335 2.3081 2.3163 2.4549 2.4612 2.6486 2.6542 2.9060 2.9112 2.9274 2.9504 9.2159 9.2622 10.6015 10.6462 11.0363 11.0861 11.4309 11.4799 k = 0.1108-0.0015-0.1123 ( 4140 PWs) bands (ev): -24.2435 -24.2435 -16.4284 -16.4256 -13.3910 -13.3783 -13.3107 -13.3056 -7.9023 -7.8917 -7.6448 -7.6337 -7.6234 -7.6218 -5.4639 -5.4467 -2.4133 -2.0873 -1.9606 -1.8105 -1.3742 -1.0975 2.1934 2.1997 2.2977 2.3059 2.4433 2.4492 2.6508 2.6565 2.9062 2.9121 2.9463 2.9709 9.2456 9.3015 10.5574 10.6122 10.9865 11.0448 11.4217 11.4779 k = 0.1208-0.0017-0.1225 ( 4144 PWs) bands (ev): -24.2433 -24.2433 -16.4229 -16.4199 -13.3971 -13.3830 -13.3149 -13.3086 -7.9026 -7.8918 -7.6452 -7.6337 -7.6238 -7.6218 -5.5032 -5.4845 -2.4047 -2.0727 -1.9523 -1.7876 -1.3136 -1.0272 2.1572 2.1634 2.2867 2.2951 2.4330 2.4386 2.6530 2.6588 2.9066 2.9129 2.9655 2.9913 9.2753 9.3427 10.5099 10.5769 10.9340 11.0010 11.4122 11.4748 k = 0.1309-0.0018-0.1327 ( 4150 PWs) bands (ev): -24.2432 -24.2432 -16.4171 -16.4138 -13.4037 -13.3882 -13.3192 -13.3117 -7.9028 -7.8919 -7.6455 -7.6337 -7.6243 -7.6219 -5.5442 -5.5242 -2.3941 -2.0616 -1.9382 -1.7616 -1.2504 -0.9554 2.1190 2.1250 2.2752 2.2837 2.4237 2.4292 2.6551 2.6609 2.9072 2.9140 2.9848 3.0116 9.3039 9.3852 10.4590 10.5412 10.8791 10.9552 11.4023 11.4705 k = 0.1410-0.0019-0.1429 ( 4154 PWs) bands (ev): -24.2430 -24.2430 -16.4108 -16.4073 -13.4108 -13.3938 -13.3237 -13.3149 -7.9030 -7.8922 -7.6458 -7.6338 -7.6248 -7.6220 -5.5869 -5.5655 -2.3820 -2.0537 -1.9185 -1.7326 -1.1849 -0.8826 2.0792 2.0852 2.2632 2.2719 2.4153 2.4207 2.6571 2.6630 2.9082 2.9154 3.0042 3.0320 9.3301 9.4283 10.4051 10.5059 10.8216 10.9076 11.3917 11.4648 k = 0.1510-0.0021-0.1531 ( 4156 PWs) bands (ev): -24.2429 -24.2428 -16.4041 -16.4005 -13.4183 -13.3999 -13.3283 -13.3182 -7.9032 -7.8926 -7.6460 -7.6340 -7.6254 -7.6221 -5.6308 -5.6082 -2.3685 -2.0480 -1.8938 -1.7004 -1.1176 -0.8089 2.0382 2.0442 2.2508 2.2596 2.4077 2.4129 2.6590 2.6648 2.9094 2.9172 3.0236 3.0525 9.3524 9.4712 10.3483 10.4723 10.7618 10.8588 11.3803 11.4575 k = 0.1611-0.0022-0.1633 ( 4158 PWs) bands (ev): -24.2427 -24.2427 -16.3971 -16.3933 -13.4261 -13.4064 -13.3329 -13.3215 -7.9033 -7.8931 -7.6461 -7.6343 -7.6261 -7.6223 -5.6758 -5.6521 -2.3540 -2.0437 -1.8650 -1.6653 -1.0490 -0.7347 1.9965 2.0025 2.2379 2.2470 2.4007 2.4059 2.6608 2.6664 2.9111 2.9192 3.0432 3.0731 9.3690 9.5126 10.2890 10.4415 10.6997 10.8098 11.3681 11.4489 k = 0.1712-0.0023-0.1735 ( 4156 PWs) bands (ev): -24.2425 -24.2425 -16.3898 -16.3857 -13.4343 -13.4134 -13.3377 -13.3249 -7.9034 -7.8936 -7.6462 -7.6347 -7.6267 -7.6225 -5.7216 -5.6970 -2.3387 -2.0401 -1.8327 -1.6273 -0.9795 -0.6603 1.9544 1.9605 2.2248 2.2340 2.3943 2.3994 2.6624 2.6679 2.9132 2.9217 3.0630 3.0941 9.3781 9.5511 10.2273 10.4145 10.6357 10.7616 11.3552 11.4390 k = 0.1812-0.0025-0.1837 ( 4146 PWs) bands (ev): -24.2423 -24.2423 -16.3821 -16.3779 -13.4428 -13.4206 -13.3424 -13.3285 -7.9034 -7.8943 -7.6463 -7.6353 -7.6273 -7.6228 -5.7679 -5.7425 -2.3230 -2.0368 -1.7973 -1.5865 -0.9093 -0.5860 1.9121 1.9183 2.2113 2.2207 2.3885 2.3937 2.6638 2.6690 2.9156 2.9246 3.0831 3.1154 9.3781 9.5846 10.1639 10.3919 10.5704 10.7159 11.3419 11.4282 k = 0.1913-0.0026-0.1939 ( 4144 PWs) bands (ev): -24.2421 -24.2421 -16.3742 -16.3698 -13.4516 -13.4283 -13.3472 -13.3321 -7.9034 -7.8951 -7.6463 -7.6362 -7.6278 -7.6231 -5.8146 -5.7885 -2.3069 -2.0337 -1.7590 -1.5432 -0.8390 -0.5121 1.8700 1.8763 2.1974 2.2070 2.3835 2.3888 2.6649 2.6700 2.9185 2.9279 3.1035 3.1370 9.3676 9.6108 10.0994 10.3725 10.5057 10.6750 11.3283 11.4170 k = 0.2014-0.0028-0.2041 ( 4142 PWs) bands (ev): -24.2420 -24.2419 -16.3660 -16.3615 -13.4605 -13.4362 -13.3520 -13.3358 -7.9033 -7.8960 -7.6463 -7.6373 -7.6281 -7.6234 -5.8614 -5.8348 -2.2908 -2.0306 -1.7181 -1.4974 -0.7690 -0.4390 1.8284 1.8348 2.1834 2.1932 2.3792 2.3846 2.6658 2.6706 2.9218 2.9317 3.1243 3.1590 9.3457 9.6264 10.0345 10.3500 10.4480 10.6414 11.3150 11.4058 k = 0.2114-0.0029-0.2143 ( 4140 PWs) bands (ev): -24.2418 -24.2418 -16.3575 -16.3529 -13.4695 -13.4443 -13.3568 -13.3396 -7.9033 -7.8970 -7.6463 -7.6387 -7.6283 -7.6238 -5.9081 -5.8812 -2.2747 -2.0273 -1.6746 -1.4493 -0.6995 -0.3671 1.7874 1.7939 2.1690 2.1790 2.3758 2.3814 2.6664 2.6709 2.9256 2.9359 3.1455 3.1815 9.3126 9.6282 9.9699 10.3088 10.4125 10.6176 11.3025 11.3953 k = 0.2215-0.0030-0.2245 ( 4146 PWs) bands (ev): -24.2416 -24.2416 -16.3489 -16.3442 -13.4787 -13.4527 -13.3616 -13.3435 -7.9032 -7.8981 -7.6462 -7.6404 -7.6284 -7.6242 -5.9546 -5.9274 -2.2587 -2.0240 -1.6288 -1.3991 -0.6310 -0.2966 1.7475 1.7540 2.1545 2.1647 2.3733 2.3791 2.6668 2.6709 2.9299 2.9407 3.1670 3.2045 9.2688 9.6133 9.9064 10.2454 10.4025 10.6052 11.2914 11.3861 k = 0.2316-0.0032-0.2347 ( 4142 PWs) bands (ev): -24.2414 -24.2414 -16.3401 -16.3353 -13.4879 -13.4612 -13.3664 -13.3475 -7.9031 -7.8992 -7.6462 -7.6422 -7.6283 -7.6246 -6.0007 -5.9734 -2.2430 -2.0205 -1.5808 -1.3471 -0.5639 -0.2280 1.7088 1.7155 2.1398 2.1501 2.3718 2.3779 2.6668 2.6706 2.9347 2.9460 3.1889 3.2279 9.2154 9.5807 9.8434 10.1717 10.4057 10.6041 11.2826 11.3789 k = 0.2416-0.0033-0.2449 ( 4140 PWs) bands (ev): -24.2412 -24.2412 -16.3312 -16.3263 -13.4971 -13.4699 -13.3712 -13.3515 -7.9031 -7.9004 -7.6462 -7.6442 -7.6282 -7.6249 -6.0462 -6.0190 -2.2276 -2.0170 -1.5309 -1.2933 -0.4986 -0.1617 1.6717 1.6784 2.1249 2.1354 2.3713 2.3779 2.6665 2.6700 2.9402 2.9519 3.2112 3.2517 9.1539 9.5319 9.7797 10.0934 10.4165 10.6120 11.2770 11.3744 k = 0.2517-0.0034-0.2551 ( 4146 PWs) bands (ev): -24.2410 -24.2410 -16.3222 -16.3173 -13.5063 -13.4786 -13.3760 -13.3557 -7.9031 -7.9015 -7.6465 -7.6461 -7.6281 -7.6253 -6.0910 -6.0640 -2.2126 -2.0133 -1.4792 -1.2382 -0.4355 -0.0981 1.6365 1.6433 2.1099 2.1205 2.3721 2.3791 2.6658 2.6689 2.9462 2.9585 3.2338 3.2759 9.0855 9.4703 9.7137 10.0125 10.4324 10.6258 11.2758 11.3733 k = 0.2618-0.0036-0.2654 ( 4150 PWs) bands (ev): -24.2408 -24.2408 -16.3131 -16.3081 -13.5153 -13.4873 -13.3807 -13.3600 -7.9036 -7.9023 -7.6485 -7.6463 -7.6280 -7.6256 -6.1350 -6.1083 -2.1979 -2.0096 -1.4259 -1.1818 -0.3750 -0.0377 1.6034 1.6103 2.0948 2.1055 2.3740 2.3816 2.6647 2.6675 2.9529 2.9657 3.2567 3.3005 9.0118 9.3992 9.6443 9.9297 10.4515 10.6420 11.2800 11.3763 k = 0.2718-0.0037-0.2756 ( 4152 PWs) bands (ev): -24.2406 -24.2406 -16.3040 -16.2990 -13.5242 -13.4961 -13.3854 -13.3643 -7.9046 -7.9025 -7.6508 -7.6464 -7.6280 -7.6258 -6.1779 -6.1517 -2.1837 -2.0058 -1.3713 -1.1243 -0.3176 0.0191 1.5728 1.5798 2.0796 2.0904 2.3773 2.3854 2.6633 2.6658 2.9603 2.9737 3.2799 3.3254 8.9338 9.3216 9.5715 9.8457 10.4717 10.6578 11.2905 11.3841 k = 0.2819-0.0039-0.2858 ( 4158 PWs) bands (ev): -24.2404 -24.2404 -16.2949 -16.2899 -13.5329 -13.5047 -13.3901 -13.3687 -7.9059 -7.9025 -7.6530 -7.6466 -7.6280 -7.6259 -6.2198 -6.1941 -2.1698 -2.0020 -1.3156 -1.0661 -0.2637 0.0719 1.5449 1.5521 2.0643 2.0752 2.3819 2.3906 2.6614 2.6637 2.9685 2.9825 3.3032 3.3505 8.8526 9.2394 9.4958 9.7608 10.4913 10.6709 11.3081 11.3969 k = 0.2920-0.0040-0.2960 ( 4162 PWs) bands (ev): -24.2402 -24.2402 -16.2858 -16.2809 -13.5414 -13.5133 -13.3947 -13.3731 -7.9072 -7.9026 -7.6553 -7.6469 -7.6281 -7.6258 -6.2604 -6.2355 -2.1563 -1.9982 -1.2590 -1.0073 -0.2137 0.1201 1.5202 1.5276 2.0489 2.0600 2.3878 2.3972 2.6591 2.6612 2.9775 2.9921 3.3265 3.3756 8.7693 9.1540 9.4180 9.6755 10.5090 10.6799 11.3328 11.4150 k = 0.3020-0.0041-0.3062 ( 4168 PWs) bands (ev): -24.2401 -24.2401 -16.2768 -16.2719 -13.5497 -13.5217 -13.3992 -13.3776 -7.9086 -7.9026 -7.6576 -7.6472 -7.6283 -7.6257 -6.2998 -6.2756 -2.1432 -1.9944 -1.2018 -0.9482 -0.1680 0.1633 1.4988 1.5065 2.0335 2.0446 2.3952 2.4051 2.6564 2.6584 2.9873 3.0025 3.3499 3.4008 8.6847 9.0665 9.3391 9.5900 10.5239 10.6843 11.3642 11.4383 k = 0.3121-0.0043-0.3164 ( 4168 PWs) bands (ev): -24.2399 -24.2399 -16.2679 -16.2631 -13.5576 -13.5300 -13.4037 -13.3821 -7.9098 -7.9027 -7.6598 -7.6475 -7.6285 -7.6254 -6.3377 -6.3144 -2.1305 -1.9908 -1.1441 -0.8890 -0.1270 0.2012 1.4809 1.4891 2.0180 2.0292 2.4039 2.4144 2.6533 2.6553 2.9981 3.0138 3.3730 3.4257 8.5996 8.9775 9.2598 9.5047 10.5354 10.6842 11.4013 11.4665 k = 0.3222-0.0044-0.3266 ( 4166 PWs) bands (ev): -24.2397 -24.2397 -16.2592 -16.2545 -13.5652 -13.5381 -13.4080 -13.3866 -7.9111 -7.9028 -7.6619 -7.6480 -7.6287 -7.6252 -6.3742 -6.3519 -2.1182 -1.9872 -1.0862 -0.8298 -0.0910 0.2334 1.4669 1.4757 2.0025 2.0138 2.4139 2.4250 2.6499 2.6519 3.0097 3.0260 3.3960 3.4504 8.5149 8.8879 9.1809 9.4201 10.5435 10.6801 11.4430 11.4989 k = 0.3323-0.0045-0.3368 ( 4166 PWs) bands (ev): -24.2396 -24.2396 -16.2507 -16.2461 -13.5725 -13.5459 -13.4122 -13.3911 -7.9122 -7.9030 -7.6639 -7.6485 -7.6289 -7.6249 -6.4090 -6.3878 -2.1063 -1.9838 -1.0284 -0.7710 -0.0603 0.2597 1.4567 1.4663 1.9870 1.9983 2.4252 2.4367 2.6461 2.6482 3.0223 3.0390 3.4185 3.4745 8.4312 8.7981 9.1032 9.3363 10.5483 10.6728 11.4878 11.5348 k = 0.3423-0.0047-0.3470 ( 4170 PWs) bands (ev): -24.2394 -24.2394 -16.2424 -16.2379 -13.5793 -13.5535 -13.4163 -13.3956 -7.9133 -7.9032 -7.6658 -7.6492 -7.6290 -7.6246 -6.4423 -6.4221 -2.0949 -1.9805 -0.9708 -0.7126 -0.0350 0.2799 1.4505 1.4610 1.9714 1.9828 2.4376 2.4495 2.6420 2.6443 3.0358 3.0530 3.4405 3.4979 8.3493 8.7087 9.0271 9.2539 10.5502 10.6631 11.5347 11.5732 k = 0.3524-0.0048-0.3572 ( 4158 PWs) bands (ev): -24.2392 -24.2392 -16.2344 -16.2301 -13.5858 -13.5608 -13.4201 -13.4001 -7.9143 -7.9035 -7.6675 -7.6499 -7.6291 -7.6244 -6.4738 -6.4548 -2.0838 -1.9775 -0.9136 -0.6550 -0.0153 0.2943 1.4481 1.4597 1.9558 1.9672 2.4510 2.4631 2.6377 2.6402 3.0504 3.0678 3.4618 3.5205 8.2698 8.6203 8.9534 9.1732 10.5498 10.6515 11.5824 11.6134 k = 0.3625-0.0050-0.3674 ( 4156 PWs) bands (ev): -24.2391 -24.2391 -16.2267 -16.2226 -13.5918 -13.5677 -13.4238 -13.4044 -7.9152 -7.9038 -7.6690 -7.6507 -7.6291 -7.6241 -6.5035 -6.4857 -2.0732 -1.9747 -0.8571 -0.5982 -0.0010 0.3028 1.4493 1.4621 1.9401 1.9515 2.4652 2.4773 2.6332 2.6359 3.0658 3.0834 3.4823 3.5418 8.1934 8.5334 8.8825 9.0944 10.5474 10.6388 11.6300 11.6543 k = 0.3725-0.0051-0.3776 ( 4154 PWs) bands (ev): -24.2390 -24.2390 -16.2194 -16.2154 -13.5974 -13.5744 -13.4273 -13.4087 -7.9159 -7.9043 -7.6703 -7.6516 -7.6291 -7.6240 -6.5314 -6.5149 -2.0629 -1.9722 -0.8014 -0.5424 0.0079 0.3059 1.4540 1.4679 1.9243 1.9358 2.4800 2.4918 2.6286 2.6316 3.0821 3.0996 3.5018 3.5618 8.1207 8.4484 8.8149 9.0181 10.5436 10.6253 11.6765 11.6951 k = 0.3826-0.0052-0.3878 ( 4156 PWs) bands (ev): -24.2388 -24.2388 -16.2124 -16.2087 -13.6025 -13.5807 -13.4306 -13.4129 -7.9166 -7.9048 -7.6714 -7.6525 -7.6291 -7.6238 -6.5574 -6.5421 -2.0532 -1.9700 -0.7466 -0.4878 0.0117 0.3038 1.4617 1.4768 1.9085 1.9201 2.4951 2.5066 2.6240 2.6272 3.0992 3.1165 3.5203 3.5803 8.0524 8.3658 8.7511 8.9446 10.5387 10.6116 11.7214 11.7352 k = 0.3927-0.0054-0.3980 ( 4158 PWs) bands (ev): -24.2387 -24.2387 -16.2058 -16.2024 -13.6071 -13.5867 -13.4336 -13.4169 -7.9170 -7.9053 -7.6723 -7.6536 -7.6289 -7.6237 -6.5814 -6.5674 -2.0439 -1.9681 -0.6930 -0.4345 0.0107 0.2972 1.4722 1.4882 1.8927 1.9043 2.5103 2.5211 2.6194 2.6229 3.1169 3.1337 3.5375 3.5969 7.9891 8.2862 8.6917 8.8743 10.5333 10.5979 11.7638 11.7739 k = 0.4027-0.0055-0.4082 ( 4156 PWs) bands (ev): -24.2386 -24.2386 -16.1997 -16.1965 -13.6112 -13.5923 -13.4363 -13.4208 -7.9174 -7.9060 -7.6730 -7.6548 -7.6288 -7.6236 -6.6034 -6.5907 -2.0350 -1.9666 -0.6406 -0.3826 0.0052 0.2864 1.4849 1.5016 1.8767 1.8884 2.5252 2.5353 2.6149 2.6187 3.1351 3.1512 3.5534 3.6116 7.9312 8.2099 8.6370 8.8076 10.5276 10.5845 11.8035 11.8105 k = 0.4128-0.0056-0.4184 ( 4160 PWs) bands (ev): -24.2385 -24.2385 -16.1941 -16.1912 -13.6148 -13.5975 -13.4387 -13.4245 -7.9176 -7.9067 -7.6734 -7.6560 -7.6285 -7.6236 -6.6233 -6.6119 -2.0266 -1.9655 -0.5896 -0.3321 -0.0045 0.2718 1.4995 1.5166 1.8608 1.8725 2.5396 2.5487 2.6106 2.6147 3.1535 3.1686 3.5680 3.6241 7.8794 8.1375 8.5875 8.7448 10.5219 10.5717 11.8399 11.8448 k = 0.4229-0.0058-0.4287 ( 4160 PWs) bands (ev): -24.2384 -24.2384 -16.1890 -16.1864 -13.6179 -13.6023 -13.4408 -13.4279 -7.9177 -7.9074 -7.6736 -7.6573 -7.6283 -7.6237 -6.6411 -6.6311 -2.0187 -1.9648 -0.5400 -0.2831 -0.0179 0.2540 1.5155 1.5327 1.8449 1.8565 2.5531 2.5611 2.6065 2.6111 3.1719 3.1856 3.5812 3.6344 7.8342 8.0693 8.5436 8.6864 10.5165 10.5596 11.8727 11.8762 k = 0.4329-0.0059-0.4389 ( 4156 PWs) bands (ev): -24.2384 -24.2384 -16.1845 -16.1821 -13.6204 -13.6066 -13.4425 -13.4311 -7.9176 -7.9082 -7.6735 -7.6587 -7.6280 -7.6238 -6.6567 -6.6480 -2.0114 -1.9646 -0.4921 -0.2358 -0.0348 0.2332 1.5324 1.5494 1.8291 1.8406 2.5654 2.5723 2.6028 2.6081 3.1897 3.2019 3.5931 3.6423 7.7959 8.0060 8.5056 8.6327 10.5116 10.5484 11.9017 11.9045 k = 0.4430-0.0061-0.4491 ( 4160 PWs) bands (ev): -24.2383 -24.2383 -16.1805 -16.1785 -13.6225 -13.6106 -13.4439 -13.4341 -7.9174 -7.9091 -7.6732 -7.6601 -7.6276 -7.6239 -6.6702 -6.6628 -2.0045 -1.9648 -0.4457 -0.1901 -0.0548 0.2098 1.5497 1.5662 1.8136 1.8249 2.5761 2.5819 2.5994 2.6061 3.2066 3.2171 3.6036 3.6480 7.7650 7.9478 8.4739 8.5842 10.5074 10.5382 11.9268 11.9293 k = 0.4531-0.0062-0.4593 ( 4162 PWs) bands (ev): -24.2382 -24.2382 -16.1770 -16.1754 -13.6240 -13.6141 -13.4450 -13.4367 -7.9170 -7.9100 -7.6727 -7.6615 -7.6273 -7.6241 -6.6814 -6.6753 -1.9982 -1.9655 -0.4011 -0.1460 -0.0777 0.1841 1.5671 1.5825 1.7986 1.8096 2.5838 2.5902 2.5966 2.6056 3.2220 3.2307 3.6130 3.6515 7.7416 7.8953 8.4486 8.5411 10.5041 10.5290 11.9480 11.9503 k = 0.4631-0.0063-0.4695 ( 4152 PWs) bands (ev): -24.2382 -24.2382 -16.1742 -16.1729 -13.6250 -13.6171 -13.4456 -13.4391 -7.9166 -7.9108 -7.6720 -7.6630 -7.6269 -7.6243 -6.6904 -6.6856 -1.9924 -1.9668 -0.3582 -0.1066 -0.1002 0.1562 1.5838 1.5977 1.7848 1.7949 2.5878 2.5934 2.5984 2.6073 3.2355 3.2422 3.6213 3.6528 7.7261 7.8489 8.4301 8.5038 10.5017 10.5211 11.9653 11.9673 k = 0.4732-0.0065-0.4797 ( 4158 PWs) bands (ev): -24.2382 -24.2382 -16.1720 -16.1711 -13.6255 -13.6197 -13.4459 -13.4411 -7.9160 -7.9118 -7.6711 -7.6645 -7.6265 -7.6246 -6.6970 -6.6936 -1.9871 -1.9685 -0.3172 -0.1317 -0.0625 0.1263 1.5992 1.6107 1.7727 1.7814 2.5889 2.5917 2.6044 2.6100 3.2465 3.2513 3.6287 3.6524 7.7185 7.8089 8.4184 8.4726 10.5005 10.5144 11.9785 11.9802 k = 0.4833-0.0066-0.4899 ( 4160 PWs) bands (ev): -24.2381 -24.2381 -16.1705 -16.1699 -13.6255 -13.6219 -13.4459 -13.4428 -7.9153 -7.9127 -7.6701 -7.6659 -7.6261 -7.6249 -6.7014 -6.6993 -1.9824 -1.9708 -0.2780 -0.1620 -0.0234 0.0946 1.6121 1.6202 1.7638 1.7701 2.5890 2.5903 2.6090 2.6122 3.2546 3.2576 3.6352 3.6503 7.7188 7.7758 8.4137 8.4478 10.5004 10.5090 11.9878 11.9888 k = 0.4933-0.0067-0.5001 ( 4156 PWs) bands (ev): -24.2381 -24.2381 -16.1695 -16.1693 -13.6250 -13.6235 -13.4454 -13.4442 -7.9146 -7.9135 -7.6690 -7.6673 -7.6258 -7.6253 -6.7035 -6.7026 -1.9783 -1.9737 -0.2407 -0.1945 0.0141 0.0610 1.6211 1.6246 1.7594 1.7622 2.5890 2.5894 2.6120 2.6132 3.2594 3.2606 3.6408 3.6470 7.7271 7.7498 8.4160 8.4296 10.5015 10.5049 11.9929 11.9933 k = 0.5067 0.4865-0.0135 ( 4156 PWs) bands (ev): -24.2381 -24.2381 -16.1695 -16.1693 -13.6249 -13.6235 -13.4454 -13.4442 -7.9146 -7.9135 -7.6690 -7.6673 -7.6258 -7.6253 -6.7035 -6.7026 -1.9783 -1.9737 -0.2407 -0.1945 0.0141 0.0611 1.6211 1.6246 1.7594 1.7622 2.5889 2.5894 2.6120 2.6132 3.2595 3.2606 3.6409 3.6470 7.7270 7.7498 8.4160 8.4296 10.5014 10.5049 11.9929 11.9933 k = 0.5000 0.4932-0.0135 ( 4150 PWs) bands (ev): -24.2381 -24.2381 -16.1693 -16.1693 -13.6243 -13.6243 -13.4449 -13.4449 -7.9141 -7.9141 -7.6681 -7.6681 -7.6255 -7.6255 -6.7035 -6.7035 -1.9759 -1.9759 -0.2171 -0.2171 0.0380 0.0380 1.6242 1.6242 1.7596 1.7596 2.5891 2.5891 2.6130 2.6130 3.2608 3.2608 3.6441 3.6441 7.7368 7.7368 8.4213 8.4213 10.5029 10.5029 11.9940 11.9940 k = 0.5000 0.4932-0.0135 ( 4150 PWs) bands (ev): -24.2381 -24.2381 -16.1693 -16.1693 -13.6243 -13.6243 -13.4449 -13.4449 -7.9141 -7.9141 -7.6681 -7.6681 -7.6255 -7.6255 -6.7035 -6.7035 -1.9759 -1.9759 -0.2171 -0.2171 0.0380 0.0380 1.6242 1.6242 1.7596 1.7596 2.5891 2.5891 2.6130 2.6130 3.2608 3.2608 3.6441 3.6441 7.7368 7.7368 8.4213 8.4213 10.5029 10.5029 11.9940 11.9940 k = 0.5002 0.4934 0.0008 ( 4156 PWs) bands (ev): -24.2381 -24.2381 -16.1691 -16.1689 -13.6244 -13.6242 -13.4455 -13.4448 -7.9142 -7.9141 -7.6682 -7.6682 -7.6257 -7.6256 -6.7062 -6.7046 -1.9760 -1.9686 -0.2211 -0.2127 0.0380 0.0382 1.6231 1.6240 1.7586 1.7587 2.5895 2.5900 2.6141 2.6142 3.2607 3.2612 3.6418 3.6483 7.7337 7.7372 8.4173 8.4223 10.4957 10.4981 11.9950 11.9957 k = 0.5004 0.4936 0.0151 ( 4160 PWs) bands (ev): -24.2381 -24.2381 -16.1685 -16.1679 -13.6245 -13.6240 -13.4465 -13.4453 -7.9145 -7.9143 -7.6685 -7.6684 -7.6260 -7.6260 -6.7126 -6.7094 -1.9689 -1.9542 -0.2246 -0.2078 0.0385 0.0389 1.6206 1.6224 1.7558 1.7560 2.5910 2.5921 2.6175 2.6176 3.2609 3.2618 3.6412 3.6543 7.7279 7.7351 8.4102 8.4202 10.4767 10.4817 11.9986 11.9999 k = 0.5006 0.4938 0.0294 ( 4163 PWs) bands (ev): -24.2381 -24.2381 -16.1673 -16.1665 -13.6246 -13.6238 -13.4481 -13.4462 -7.9150 -7.9146 -7.6689 -7.6688 -7.6267 -7.6266 -6.7225 -6.7178 -1.9549 -1.9326 -0.2277 -0.2025 0.0393 0.0399 1.6169 1.6195 1.7514 1.7517 2.5939 2.5954 2.6232 2.6232 3.2614 3.2627 3.6425 3.6621 7.7196 7.7303 8.4000 8.4151 10.4464 10.4539 12.0045 12.0064 k = 0.5008 0.4940 0.0438 ( 4161 PWs) bands (ev): -24.2381 -24.2381 -16.1656 -16.1645 -13.6246 -13.6236 -13.4501 -13.4477 -7.9156 -7.9151 -7.6694 -7.6693 -7.6275 -7.6274 -6.7359 -6.7296 -1.9340 -1.9041 -0.2304 -0.1967 0.0405 0.0412 1.6119 1.6153 1.7453 1.7456 2.5979 2.5999 2.6309 2.6310 3.2622 3.2640 3.6456 3.6715 7.7087 7.7231 8.3869 8.4071 10.4053 10.4154 12.0125 12.0149 k = 0.5010 0.4942 0.0581 ( 4164 PWs) bands (ev): -24.2380 -24.2380 -16.1633 -16.1620 -13.6246 -13.6233 -13.4526 -13.4496 -7.9164 -7.9158 -7.6701 -7.6700 -7.6286 -7.6285 -6.7525 -6.7448 -1.9067 -1.8689 -0.2326 -0.1905 0.0422 0.0428 1.6058 1.6100 1.7377 1.7381 2.6030 2.6056 2.6405 2.6408 3.2633 3.2655 3.6505 3.6827 7.6953 7.7134 8.3707 8.3962 10.3543 10.3671 12.0221 12.0249 k = 0.5012 0.4944 0.0724 ( 4162 PWs) bands (ev): -24.2380 -24.2380 -16.1606 -16.1590 -13.6246 -13.6231 -13.4556 -13.4521 -7.9173 -7.9166 -7.6709 -7.6709 -7.6299 -7.6298 -6.7722 -6.7630 -1.8732 -1.8274 -0.2345 -0.1838 0.0443 0.0447 1.5987 1.6035 1.7287 1.7292 2.6091 2.6125 2.6519 2.6524 3.2647 3.2673 3.6571 3.6954 7.6795 7.7014 8.3517 8.3825 10.2942 10.3100 12.0330 12.0361 k = 0.5014 0.4946 0.0867 ( 4156 PWs) bands (ev): -24.2379 -24.2379 -16.1574 -16.1555 -13.6245 -13.6228 -13.4590 -13.4550 -7.9183 -7.9176 -7.6719 -7.6718 -7.6314 -7.6313 -6.7945 -6.7841 -1.8340 -1.7799 -0.2360 -0.1769 0.0469 0.0469 1.5907 1.5960 1.7186 1.7192 2.6163 2.6206 2.6648 2.6656 3.2664 3.2694 3.6654 3.7097 7.6614 7.6872 8.3299 8.3661 10.2261 10.2449 12.0448 12.0480 k = 0.5016 0.4948 0.1010 ( 4152 PWs) bands (ev): -24.2378 -24.2378 -16.1537 -16.1517 -13.6245 -13.6225 -13.4627 -13.4583 -7.9194 -7.9187 -7.6730 -7.6729 -7.6330 -7.6330 -6.8193 -6.8076 -1.7895 -1.7267 -0.2372 -0.1696 0.0493 0.0499 1.5819 1.5877 1.7075 1.7081 2.6244 2.6298 2.6791 2.6802 3.2683 3.2718 3.6753 3.7254 7.6411 7.6709 8.3053 8.3471 10.1508 10.1728 12.0572 12.0604 k = 0.5018 0.4949 0.1153 ( 4158 PWs) bands (ev): -24.2377 -24.2377 -16.1496 -16.1473 -13.6245 -13.6222 -13.4669 -13.4620 -7.9206 -7.9200 -7.6743 -7.6740 -7.6349 -7.6349 -6.8463 -6.8334 -1.7402 -1.6685 -0.2382 -0.1620 0.0520 0.0533 1.5725 1.5786 1.6955 1.6962 2.6334 2.6400 2.6946 2.6959 3.2706 3.2745 3.6868 3.7424 7.6188 7.6527 8.2782 8.3255 10.0692 10.0947 12.0699 12.0730 k = 0.5020 0.4951 0.1296 ( 4160 PWs) bands (ev): -24.2377 -24.2377 -16.1451 -16.1426 -13.6245 -13.6219 -13.4713 -13.4662 -7.9220 -7.9214 -7.6757 -7.6753 -7.6370 -7.6368 -6.8750 -6.8610 -1.6867 -1.6056 -0.2389 -0.1542 0.0549 0.0573 1.5627 1.5690 1.6829 1.6836 2.6433 2.6513 2.7111 2.7126 3.2733 3.2775 3.6997 3.7607 7.5945 7.6327 8.2485 8.3016 9.9822 10.0116 12.0827 12.0856 k = 0.5022 0.4953 0.1439 ( 4160 PWs) bands (ev): -24.2376 -24.2376 -16.1403 -16.1376 -13.6245 -13.6216 -13.4760 -13.4707 -7.9233 -7.9230 -7.6773 -7.6766 -7.6392 -7.6390 -6.9051 -6.8902 -1.6295 -1.5386 -0.2394 -0.1462 0.0579 0.0618 1.5525 1.5589 1.6698 1.6705 2.6539 2.6636 2.7283 2.7300 3.2762 3.2808 3.7141 3.7802 7.5685 7.6112 8.2165 8.2754 9.8907 9.9243 12.0953 12.0980 k = 0.5023 0.4955 0.1583 ( 4159 PWs) bands (ev): -24.2375 -24.2375 -16.1351 -16.1322 -13.6245 -13.6213 -13.4810 -13.4755 -7.9248 -7.9246 -7.6789 -7.6780 -7.6416 -7.6412 -6.9364 -6.9207 -1.5691 -1.4681 -0.2398 -0.1380 0.0611 0.0667 1.5421 1.5486 1.6563 1.6570 2.6654 2.6769 2.7460 2.7480 3.2795 3.2845 3.7297 3.8007 7.5409 7.5882 8.1822 8.2469 9.7955 9.8337 12.1077 12.1100 k = 0.5025 0.4957 0.1726 ( 4157 PWs) bands (ev): -24.2374 -24.2374 -16.1295 -16.1265 -13.6246 -13.6211 -13.4862 -13.4805 -7.9263 -7.9263 -7.6807 -7.6795 -7.6440 -7.6435 -6.9685 -6.9520 -1.5062 -1.3945 -0.2400 -0.1298 0.0644 0.0721 1.5317 1.5381 1.6426 1.6433 2.6776 2.6910 2.7642 2.7663 3.2831 3.2884 3.7464 3.8221 7.5118 7.5640 8.1457 8.2163 9.6975 9.7406 12.1195 12.1215 k = 0.5027 0.4959 0.1869 ( 4162 PWs) bands (ev): -24.2373 -24.2373 -16.1238 -16.1206 -13.6248 -13.6209 -13.4915 -13.4858 -7.9282 -7.9278 -7.6826 -7.6810 -7.6466 -7.6459 -7.0012 -6.9840 -1.4414 -1.3186 -0.2402 -0.1216 0.0677 0.0779 1.5215 1.5277 1.6288 1.6296 2.6906 2.7059 2.7825 2.7847 3.2871 3.2927 3.7643 3.8443 7.4814 7.5388 8.1072 8.1836 9.5975 9.6459 12.1307 12.1322 k = 0.5029 0.4961 0.2012 ( 4165 PWs) bands (ev): -24.2372 -24.2372 -16.1178 -16.1146 -13.6250 -13.6208 -13.4970 -13.4913 -7.9300 -7.9294 -7.6847 -7.6825 -7.6491 -7.6483 -7.0340 -7.0162 -1.3751 -1.2407 -0.2404 -0.1134 0.0711 0.0841 1.5115 1.5175 1.6151 1.6158 2.7042 2.7216 2.8008 2.8031 3.2914 3.2973 3.7831 3.8673 7.4500 7.5128 8.0669 8.1488 9.4964 9.5504 12.1410 12.1422 k = 0.5031 0.4963 0.2155 ( 4164 PWs) bands (ev): -24.2371 -24.2371 -16.1116 -16.1083 -13.6253 -13.6208 -13.5024 -13.4969 -7.9320 -7.9310 -7.6868 -7.6841 -7.6517 -7.6508 -7.0667 -7.0485 -1.3080 -1.1617 -0.2406 -0.1053 0.0744 0.0907 1.5019 1.5077 1.6015 1.6022 2.7186 2.7381 2.8190 2.8213 3.2961 3.3022 3.8028 3.8908 7.4175 7.4861 8.0249 8.1118 9.3950 9.4548 12.1503 12.1511 k = 0.5033 0.4965 0.2298 ( 4158 PWs) bands (ev): -24.2370 -24.2370 -16.1053 -16.1020 -13.6257 -13.6209 -13.5079 -13.5026 -7.9339 -7.9325 -7.6889 -7.6856 -7.6543 -7.6533 -7.0992 -7.0806 -1.2406 -1.0819 -0.2409 -0.0972 0.0775 0.0974 1.4929 1.4984 1.5882 1.5889 2.7336 2.7551 2.8368 2.8391 3.3011 3.3075 3.8233 3.9147 7.3843 7.4590 7.9813 8.0728 9.2944 9.3601 12.1586 12.1590 k = 0.5035 0.4967 0.2441 ( 4160 PWs) bands (ev): -24.2368 -24.2368 -16.0990 -16.0956 -13.6262 -13.6210 -13.5133 -13.5083 -7.9359 -7.9341 -7.6912 -7.6872 -7.6568 -7.6558 -7.1310 -7.1122 -1.1736 -1.0022 -0.2412 -0.0893 0.0805 0.1043 1.4846 1.4897 1.5751 1.5758 2.7493 2.7727 2.8542 2.8564 3.3065 3.3130 3.8445 3.9389 7.3505 7.4316 7.9364 8.0315 9.1953 9.2669 12.1656 12.1656 k = 0.5037 0.4969 0.2584 ( 4161 PWs) bands (ev): -24.2367 -24.2367 -16.0926 -16.0892 -13.6268 -13.6213 -13.5185 -13.5139 -7.9378 -7.9356 -7.6935 -7.6888 -7.6592 -7.6582 -7.1621 -7.1431 -1.1073 -0.9229 -0.2416 -0.0815 0.0833 0.1110 1.4770 1.4817 1.5625 1.5632 2.7655 2.7908 2.8710 2.8731 3.3121 3.3187 3.8662 3.9633 7.3162 7.4040 7.8903 7.9879 9.0988 9.1761 12.1711 12.1714 k = 0.5039 0.4971 0.2727 ( 4165 PWs) bands (ev): -24.2366 -24.2366 -16.0862 -16.0828 -13.6276 -13.6218 -13.5235 -13.5193 -7.9397 -7.9371 -7.6959 -7.6904 -7.6616 -7.6606 -7.1921 -7.1731 -1.0423 -0.8449 -0.2422 -0.0738 0.0857 0.1176 1.4703 1.4745 1.5504 1.5510 2.7823 2.8092 2.8871 2.8890 3.3181 3.3247 3.8883 3.9876 7.2817 7.3765 7.8435 7.9421 9.0060 9.0882 12.1753 12.1759 k = 0.5041 0.4973 0.2871 ( 4162 PWs) bands (ev): -24.2365 -24.2365 -16.0799 -16.0766 -13.6285 -13.6224 -13.5283 -13.5246 -7.9416 -7.9386 -7.6982 -7.6919 -7.6638 -7.6629 -7.2210 -7.2021 -0.9791 -0.7685 -0.2428 -0.0662 0.0877 0.1237 1.4645 1.4683 1.5388 1.5394 2.7995 2.8278 2.9025 2.9041 3.3242 3.3308 3.9109 4.0117 7.2470 7.3490 7.7962 7.8939 8.9176 9.0041 12.1784 12.1791 k = 0.5043 0.4975 0.3014 ( 4162 PWs) bands (ev): -24.2364 -24.2364 -16.0738 -16.0705 -13.6295 -13.6232 -13.5329 -13.5296 -7.9434 -7.9401 -7.7006 -7.6935 -7.6659 -7.6651 -7.2485 -7.2298 -0.9180 -0.6946 -0.2434 -0.0587 0.0893 0.1292 1.4597 1.4631 1.5278 1.5284 2.8171 2.8465 2.9170 2.9183 3.3306 3.3371 3.9336 4.0354 7.2124 7.3218 7.7490 7.8436 8.8347 8.9241 12.1803 12.1812 k = 0.5045 0.4977 0.3157 ( 4160 PWs) bands (ev): -24.2363 -24.2363 -16.0678 -16.0646 -13.6306 -13.6242 -13.5370 -13.5343 -7.9451 -7.9415 -7.7028 -7.6951 -7.6678 -7.6671 -7.2744 -7.2560 -0.8594 -0.6238 -0.2439 -0.0513 0.0903 0.1338 1.4559 1.4589 1.5175 1.5181 2.8350 2.8651 2.9306 2.9314 3.3371 3.3434 3.9566 4.0584 7.1782 7.2947 7.7022 7.7914 8.7581 8.8490 12.1811 12.1822 k = 0.5047 0.4978 0.3300 ( 4160 PWs) bands (ev): -24.2362 -24.2362 -16.0620 -16.0590 -13.6318 -13.6253 -13.5409 -13.5387 -7.9467 -7.9428 -7.7050 -7.6967 -7.6695 -7.6690 -7.2986 -7.2808 -0.8037 -0.5569 -0.2439 -0.0440 0.0907 0.1372 1.4530 1.4556 1.5078 1.5084 2.8529 2.8834 2.9432 2.9435 3.3436 3.3497 3.9795 4.0806 7.1446 7.2679 7.6564 7.7379 8.6882 8.7790 12.1811 12.1822 k = 0.5049 0.4980 0.3443 ( 4170 PWs) bands (ev): -24.2361 -24.2361 -16.0566 -16.0537 -13.6332 -13.6266 -13.5443 -13.5426 -7.9481 -7.9441 -7.7071 -7.6983 -7.6711 -7.6708 -7.3211 -7.3038 -0.7510 -0.4951 -0.2428 -0.0367 0.0904 0.1393 1.4511 1.4533 1.4989 1.4995 2.8707 2.9012 2.9546 2.9548 3.3500 3.3558 4.0023 4.1015 7.1121 7.2412 7.6124 7.6839 8.6255 8.7144 12.1803 12.1815 k = 0.5051 0.4982 0.3586 ( 4172 PWs) bands (ev): -24.2361 -24.2361 -16.0515 -16.0488 -13.6345 -13.6281 -13.5474 -13.5461 -7.9495 -7.9454 -7.7090 -7.6999 -7.6726 -7.6723 -7.3416 -7.3251 -0.7015 -0.4400 -0.2392 -0.0294 0.0895 0.1397 1.4499 1.4518 1.4908 1.4914 2.8881 2.9181 2.9646 2.9654 3.3563 3.3618 4.0248 4.1210 7.0811 7.2144 7.5705 7.6305 8.5703 8.6555 12.1789 12.1801 k = 0.5053 0.4984 0.3729 ( 4170 PWs) bands (ev): -24.2360 -24.2360 -16.0468 -16.0443 -13.6358 -13.6297 -13.5501 -13.5491 -7.9506 -7.9466 -7.7108 -7.7016 -7.6738 -7.6737 -7.3600 -7.3445 -0.6554 -0.3947 -0.2305 -0.0222 0.0878 0.1381 1.4495 1.4511 1.4836 1.4841 2.9050 2.9340 2.9737 2.9751 3.3624 3.3674 4.0469 4.1386 7.0521 7.1874 7.5316 7.5791 8.5224 8.6023 12.1772 12.1783 k = 0.5055 0.4986 0.3872 ( 4175 PWs) bands (ev): -24.2359 -24.2359 -16.0425 -16.0402 -13.6371 -13.6314 -13.5524 -13.5517 -7.9516 -7.9477 -7.7122 -7.7033 -7.6749 -7.6748 -7.3762 -7.3620 -0.6128 -0.3630 -0.2132 -0.0150 0.0853 0.1345 1.4497 1.4511 1.4771 1.4776 2.9210 2.9484 2.9819 2.9838 3.3681 3.3726 4.0682 4.1541 7.0260 7.1600 7.4960 7.5311 8.4818 8.5549 12.1751 12.1762 k = 0.5057 0.4988 0.4016 ( 4176 PWs) bands (ev): -24.2359 -24.2359 -16.0386 -16.0367 -13.6382 -13.6330 -13.5543 -13.5539 -7.9524 -7.9488 -7.7135 -7.7050 -7.6758 -7.6758 -7.3903 -7.3774 -0.5736 -0.3462 -0.1863 -0.0078 0.0820 0.1285 1.4504 1.4515 1.4716 1.4721 2.9357 2.9610 2.9893 2.9915 3.3734 3.3774 4.0886 4.1671 7.0033 7.1321 7.4642 7.4881 8.4481 8.5133 12.1730 12.1740 k = 0.5059 0.4990 0.4159 ( 4175 PWs) bands (ev): -24.2358 -24.2358 -16.0353 -16.0336 -13.6392 -13.6346 -13.5559 -13.5557 -7.9531 -7.9498 -7.7144 -7.7067 -7.6765 -7.6765 -7.4020 -7.3907 -0.5379 -0.3411 -0.1531 -0.0007 0.0781 0.1201 1.4512 1.4521 1.4670 1.4674 2.9490 2.9713 2.9961 2.9984 3.3781 3.3815 4.1078 4.1773 6.9849 7.1039 7.4367 7.4513 8.4211 8.4773 12.1710 12.1719 k = 0.5061 0.4992 0.4302 ( 4177 PWs) bands (ev): -24.2358 -24.2358 -16.0325 -16.0311 -13.6400 -13.6361 -13.5572 -13.5571 -7.9536 -7.9507 -7.7150 -7.7083 -7.6771 -7.6771 -7.4113 -7.4018 -0.5056 -0.3436 -0.1181 0.0061 0.0734 0.1090 1.4522 1.4529 1.4633 1.4638 2.9605 2.9792 3.0025 3.0043 3.3821 3.3850 4.1254 4.1844 6.9716 7.0760 7.4136 7.4213 8.4004 8.4471 12.1691 12.1699 k = 0.5063 0.4994 0.4445 ( 4182 PWs) bands (ev): -24.2357 -24.2357 -16.0303 -16.0292 -13.6405 -13.6375 -13.5581 -13.5581 -7.9539 -7.9516 -7.7154 -7.7099 -7.6776 -7.6776 -7.4182 -7.4107 -0.4765 -0.3509 -0.0841 0.0124 0.0681 0.0954 1.4530 1.4535 1.4608 1.4612 2.9700 2.9845 3.0081 3.0092 3.3854 3.3876 4.1411 4.1883 6.9639 7.0494 7.3954 7.3986 8.3858 8.4223 12.1676 12.1682 k = 0.5065 0.4996 0.4588 ( 4164 PWs) bands (ev): -24.2357 -24.2357 -16.0287 -16.0279 -13.6408 -13.6386 -13.5588 -13.5588 -7.9540 -7.9523 -7.7154 -7.7114 -7.6779 -7.6779 -7.4227 -7.4173 -0.4507 -0.3619 -0.0525 0.0178 0.0624 0.0796 1.4535 1.4537 1.4594 1.4597 2.9775 2.9875 3.0126 3.0131 3.3880 3.3895 4.1546 4.1887 6.9623 7.0252 7.3821 7.3830 8.3771 8.4031 12.1664 12.1668 k = 0.5067 0.4998 0.4731 ( 4162 PWs) bands (ev): -24.2357 -24.2357 -16.0277 -16.0272 -13.6407 -13.6394 -13.5592 -13.5592 -7.9539 -7.9529 -7.7151 -7.7128 -7.6781 -7.6781 -7.4248 -7.4216 -0.4279 -0.3760 -0.0244 0.0202 0.0567 0.0633 1.4537 1.4537 1.4590 1.4592 2.9828 2.9886 3.0156 3.0157 3.3896 3.3906 4.1654 4.1857 6.9670 7.0046 7.3740 7.3741 8.3740 8.3893 12.1657 12.1659 k = 0.5067 0.4998 0.4731 ( 4162 PWs) bands (ev): -24.2357 -24.2357 -16.0277 -16.0272 -13.6407 -13.6394 -13.5592 -13.5592 -7.9539 -7.9529 -7.7151 -7.7128 -7.6781 -7.6781 -7.4248 -7.4216 -0.4279 -0.3760 -0.0244 0.0202 0.0567 0.0633 1.4537 1.4537 1.4590 1.4592 2.9828 2.9886 3.0156 3.0157 3.3896 3.3906 4.1654 4.1857 6.9670 7.0046 7.3740 7.3741 8.3740 8.3893 12.1657 12.1659 k = 0.5033 0.4965 0.4799 ( 4156 PWs) bands (ev): -24.2357 -24.2357 -16.0272 -16.0270 -13.6405 -13.6399 -13.5593 -13.5593 -7.9538 -7.9533 -7.7147 -7.7136 -7.6781 -7.6781 -7.4250 -7.4234 -0.4134 -0.3874 -0.0071 0.0175 0.0535 0.0546 1.4537 1.4537 1.4591 1.4591 2.9854 2.9883 3.0167 3.0167 3.3904 3.3908 4.1717 4.1819 6.9735 6.9925 7.3711 7.3712 8.3748 8.3825 12.1654 12.1655 k = 0.5000 0.4932 0.4866 ( 4152 PWs) bands (ev): -24.2357 -24.2357 -16.0270 -16.0270 -13.6402 -13.6402 -13.5593 -13.5593 -7.9536 -7.9536 -7.7142 -7.7142 -7.6781 -7.6781 -7.4246 -7.4246 -0.3999 -0.3999 0.0077 0.0077 0.0520 0.0520 1.4537 1.4537 1.4591 1.4591 2.9872 2.9872 3.0171 3.0171 3.3908 3.3908 4.1773 4.1773 6.9821 6.9821 7.3702 7.3702 8.3777 8.3777 12.1654 12.1654 k = 0.5000-0.0068-0.0067 ( 4150 PWs) bands (ev): -24.2409 -24.2409 -16.3193 -16.3193 -13.5561 -13.5561 -13.3077 -13.3077 -7.9013 -7.9013 -7.6473 -7.6473 -7.6214 -7.6214 -5.9743 -5.9743 -2.1873 -2.1873 -1.8112 -1.8112 0.0458 0.0458 2.0156 2.0156 2.0992 2.0992 2.4900 2.4900 2.6092 2.6092 2.8715 2.8715 3.0752 3.0752 8.5363 8.5363 10.5266 10.5266 10.8499 10.8499 11.4532 11.4532 k = 0.5003 0.0032 0.0032 ( 4152 PWs) bands (ev): -24.2409 -24.2409 -16.3192 -16.3190 -13.5564 -13.5558 -13.3080 -13.3080 -7.9018 -7.9009 -7.6480 -7.6468 -7.6214 -7.6214 -5.9767 -5.9759 -2.1880 -2.1823 -1.8096 -1.8091 0.0426 0.0491 2.0144 2.0145 2.0978 2.0985 2.4899 2.4900 2.6096 2.6100 2.8722 2.8726 3.0749 3.0776 8.5326 8.5378 10.5225 10.5258 10.8464 10.8473 11.4524 11.4545 k = 0.5005 0.0133 0.0131 ( 4150 PWs) bands (ev): -24.2409 -24.2409 -16.3184 -16.3181 -13.5569 -13.5557 -13.3090 -13.3088 -7.9024 -7.9006 -7.6487 -7.6465 -7.6215 -7.6214 -5.9831 -5.9815 -2.1844 -2.1732 -1.8041 -1.8033 0.0394 0.0524 2.0110 2.0111 2.0943 2.0958 2.4896 2.4899 2.6111 2.6119 2.8747 2.8754 3.0768 3.0822 8.5264 8.5369 10.5137 10.5201 10.8371 10.8388 11.4522 11.4562 k = 0.5008 0.0234 0.0230 ( 4142 PWs) bands (ev): -24.2408 -24.2408 -16.3171 -16.3166 -13.5576 -13.5557 -13.3105 -13.3103 -7.9030 -7.9004 -7.6496 -7.6462 -7.6217 -7.6215 -5.9934 -5.9911 -2.1767 -2.1599 -1.7949 -1.7937 0.0363 0.0557 2.0053 2.0055 2.0888 2.0911 2.4892 2.4898 2.6137 2.6149 2.8790 2.8800 3.0808 3.0889 8.5180 8.5337 10.5001 10.5091 10.8219 10.8242 11.4525 11.4584 k = 0.5011 0.0334 0.0330 ( 4147 PWs) bands (ev): -24.2408 -24.2408 -16.3153 -16.3146 -13.5583 -13.5558 -13.3126 -13.3123 -7.9037 -7.9003 -7.6506 -7.6462 -7.6219 -7.6216 -6.0075 -6.0044 -2.1650 -2.1426 -1.7819 -1.7805 0.0331 0.0591 1.9976 1.9978 2.0814 2.0844 2.4887 2.4895 2.6174 2.6189 2.8848 2.8862 3.0869 3.0976 8.5072 8.5283 10.4815 10.4926 10.8013 10.8039 11.4537 11.4613 k = 0.5014 0.0435 0.0429 ( 4148 PWs) bands (ev): -24.2408 -24.2408 -16.3130 -16.3121 -13.5592 -13.5561 -13.3152 -13.3149 -7.9045 -7.9003 -7.6517 -7.6463 -7.6221 -7.6218 -6.0253 -6.0214 -2.1493 -2.1215 -1.7652 -1.7636 0.0300 0.0625 1.9879 1.9882 2.0721 2.0758 2.4880 2.4893 2.6220 2.6238 2.8923 2.8940 3.0950 3.1084 8.4940 8.5206 10.4577 10.4703 10.7754 10.7779 11.4557 11.4648 k = 0.5016 0.0536 0.0528 ( 4150 PWs) bands (ev): -24.2407 -24.2407 -16.3101 -16.3091 -13.5602 -13.5564 -13.3184 -13.3181 -7.9054 -7.9004 -7.6529 -7.6465 -7.6223 -7.6221 -6.0466 -6.0420 -2.1299 -2.0967 -1.7447 -1.7433 0.0269 0.0660 1.9764 1.9768 2.0613 2.0656 2.4873 2.4890 2.6275 2.6297 2.9013 2.9032 3.1050 3.1210 8.4785 8.5108 10.4286 10.4418 10.7446 10.7467 11.4590 11.4692 k = 0.5019 0.0636 0.0628 ( 4150 PWs) bands (ev): -24.2406 -24.2406 -16.3068 -16.3055 -13.5613 -13.5569 -13.3222 -13.3218 -7.9064 -7.9006 -7.6542 -7.6469 -7.6226 -7.6224 -6.0711 -6.0658 -2.1069 -2.0685 -1.7206 -1.7194 0.0239 0.0696 1.9635 1.9639 2.0488 2.0537 2.4865 2.4888 2.6339 2.6363 2.9116 2.9138 3.1168 3.1354 8.4607 8.4987 10.3938 10.4068 10.7092 10.7107 11.4636 11.4747 k = 0.5022 0.0737 0.0727 ( 4152 PWs) bands (ev): -24.2406 -24.2406 -16.3029 -16.3015 -13.5625 -13.5575 -13.3265 -13.3260 -7.9074 -7.9008 -7.6556 -7.6475 -7.6229 -7.6228 -6.0987 -6.0927 -2.0806 -2.0372 -1.6928 -1.6923 0.0210 0.0733 1.9491 1.9496 2.0350 2.0404 2.4858 2.4888 2.6410 2.6436 2.9232 2.9256 3.1302 3.1515 8.4407 8.4846 10.3530 10.3650 10.6696 10.6701 11.4699 11.4814 k = 0.5024 0.0838 0.0826 ( 4155 PWs) bands (ev): -24.2405 -24.2405 -16.2985 -16.2970 -13.5638 -13.5583 -13.3313 -13.3307 -7.9086 -7.9012 -7.6571 -7.6482 -7.6233 -7.6232 -6.1291 -6.1225 -2.0511 -2.0029 -1.6620 -1.6616 0.0181 0.0771 1.9336 1.9342 2.0200 2.0258 2.4852 2.4891 2.6487 2.6516 2.9358 2.9385 3.1453 3.1692 8.4184 8.4684 10.3063 10.3164 10.6253 10.6259 11.4779 11.4896 k = 0.5027 0.0938 0.0926 ( 4161 PWs) bands (ev): -24.2404 -24.2404 -16.2937 -16.2920 -13.5652 -13.5591 -13.3365 -13.3359 -7.9098 -7.9017 -7.6587 -7.6491 -7.6238 -7.6236 -6.1621 -6.1548 -2.0188 -1.9658 -1.6286 -1.6271 0.0153 0.0810 1.9170 1.9177 2.0038 2.0099 2.4848 2.4896 2.6571 2.6601 2.9494 2.9523 3.1618 3.1883 8.3939 8.4501 10.2533 10.2611 10.5769 10.5784 11.4879 11.4993 k = 0.5030 0.1039 0.1025 ( 4161 PWs) bands (ev): -24.2403 -24.2403 -16.2884 -16.2865 -13.5667 -13.5600 -13.3423 -13.3416 -7.9110 -7.9023 -7.6604 -7.6502 -7.6244 -7.6240 -6.1973 -6.1895 -1.9838 -1.9263 -1.5924 -1.5894 0.0126 0.0851 1.8997 1.9005 1.9867 1.9931 2.4847 2.4907 2.6660 2.6692 2.9637 2.9668 3.1796 3.2087 8.3672 8.4300 10.1943 10.1993 10.5250 10.5273 11.5000 11.5109 k = 0.5033 0.1139 0.1124 ( 4159 PWs) bands (ev): -24.2401 -24.2401 -16.2826 -16.2806 -13.5683 -13.5611 -13.3484 -13.3476 -7.9124 -7.9031 -7.6622 -7.6514 -7.6251 -7.6244 -6.2346 -6.2262 -1.9464 -1.8845 -1.5534 -1.5486 0.0101 0.0894 1.8817 1.8826 1.9687 1.9752 2.4850 2.4923 2.6754 2.6788 2.9788 2.9821 3.1987 3.2304 8.3385 8.4079 10.1293 10.1313 10.4700 10.4727 11.5143 11.5244 k = 0.5035 0.1240 0.1224 ( 4159 PWs) bands (ev): -24.2400 -24.2400 -16.2764 -16.2743 -13.5699 -13.5623 -13.3549 -13.3541 -7.9138 -7.9039 -7.6641 -7.6528 -7.6259 -7.6250 -6.2737 -6.2648 -1.9067 -1.8406 -1.5120 -1.5051 0.0076 0.0938 1.8633 1.8642 1.9500 1.9566 2.4860 2.4946 2.6852 2.6888 2.9943 2.9978 3.2189 3.2533 8.3078 8.3841 10.0576 10.0587 10.4122 10.4147 11.5309 11.5399 k = 0.5038 0.1341 0.1323 ( 4157 PWs) bands (ev): -24.2399 -24.2399 -16.2698 -16.2676 -13.5717 -13.5635 -13.3618 -13.3609 -7.9153 -7.9048 -7.6661 -7.6543 -7.6267 -7.6256 -6.3143 -6.3049 -1.8649 -1.7948 -1.4684 -1.4591 0.0054 0.0984 1.8444 1.8454 1.9307 1.9372 2.4876 2.4978 2.6955 2.6992 3.0103 3.0139 3.2401 3.2771 8.2751 8.3585 9.9786 9.9828 10.3517 10.3536 11.5496 11.5575 k = 0.5041 0.1441 0.1422 ( 4163 PWs) bands (ev): -24.2398 -24.2398 -16.2629 -16.2605 -13.5735 -13.5649 -13.3691 -13.3681 -7.9168 -7.9059 -7.6681 -7.6560 -7.6277 -7.6263 -6.3562 -6.3464 -1.8213 -1.7472 -1.4227 -1.4109 0.0033 0.1032 1.8254 1.8264 1.9108 1.9172 2.4901 2.5019 2.7062 2.7100 3.0266 3.0303 3.2623 3.3020 8.2405 8.3312 9.8949 9.9021 10.2888 10.2896 11.5705 11.5771 k = 0.5043 0.1542 0.1521 ( 4159 PWs) bands (ev): -24.2396 -24.2396 -16.2556 -16.2531 -13.5754 -13.5663 -13.3766 -13.3756 -7.9184 -7.9071 -7.6702 -7.6577 -7.6287 -7.6271 -6.3991 -6.3889 -1.7759 -1.6979 -1.3753 -1.3607 0.0014 0.1082 1.8062 1.8073 1.8905 1.8967 2.4935 2.5070 2.7172 2.7211 3.0430 3.0469 3.2854 3.3277 8.2041 8.3024 9.8069 9.8170 10.2228 10.2237 11.5934 11.5989 k = 0.5046 0.1643 0.1621 ( 4158 PWs) bands (ev): -24.2395 -24.2395 -16.2479 -16.2453 -13.5773 -13.5678 -13.3844 -13.3833 -7.9200 -7.9084 -7.6723 -7.6596 -7.6298 -7.6279 -6.4429 -6.4323 -1.7290 -1.6472 -1.3263 -1.3088 -0.0003 0.1134 1.7870 1.7882 1.8698 1.8758 2.4979 2.5133 2.7286 2.7325 3.0595 3.0636 3.3093 3.3543 8.1661 8.2721 9.7152 9.7281 10.1535 10.1567 11.6182 11.6225 k = 0.5049 0.1743 0.1720 ( 4156 PWs) bands (ev): -24.2393 -24.2393 -16.2400 -16.2372 -13.5794 -13.5694 -13.3924 -13.3912 -7.9216 -7.9098 -7.6745 -7.6616 -7.6310 -7.6290 -6.4873 -6.4764 -1.6808 -1.5950 -1.2760 -1.2557 -0.0017 0.1187 1.7678 1.7691 1.8490 1.8546 2.5035 2.5207 2.7402 2.7443 3.0760 3.0802 3.3339 3.3817 8.1264 8.2403 9.6203 9.6359 10.0821 10.0878 11.6448 11.6480 k = 0.5052 0.1844 0.1819 ( 4162 PWs) bands (ev): -24.2392 -24.2392 -16.2318 -16.2289 -13.5814 -13.5711 -13.4006 -13.3993 -7.9233 -7.9113 -7.6767 -7.6637 -7.6323 -7.6301 -6.5321 -6.5210 -1.6314 -1.5415 -1.2247 -1.2015 -0.0030 0.1242 1.7489 1.7502 1.8279 1.8331 2.5104 2.5294 2.7521 2.7562 3.0925 3.0968 3.3592 3.4098 8.0853 8.2073 9.5226 9.5408 10.0088 10.0176 11.6730 11.6752 k = 0.5054 0.1945 0.1919 ( 4162 PWs) bands (ev): -24.2390 -24.2390 -16.2233 -16.2204 -13.5835 -13.5729 -13.4089 -13.4076 -7.9250 -7.9129 -7.6790 -7.6659 -7.6337 -7.6314 -6.5771 -6.5658 -1.5809 -1.4868 -1.1725 -1.1466 -0.0040 0.1298 1.7301 1.7316 1.8069 1.8117 2.5185 2.5395 2.7641 2.7683 3.1088 3.1132 3.3852 3.4386 8.0428 8.1730 9.4226 9.4433 9.9340 9.9461 11.7025 11.7039 k = 0.5057 0.2045 0.2018 ( 4161 PWs) bands (ev): -24.2388 -24.2388 -16.2147 -16.2116 -13.5857 -13.5748 -13.4174 -13.4159 -7.9267 -7.9146 -7.6812 -7.6681 -7.6351 -7.6328 -6.6222 -6.6107 -1.5297 -1.4311 -1.1196 -1.0914 -0.0048 0.1355 1.7117 1.7132 1.7858 1.7902 2.5279 2.5508 2.7763 2.7806 3.1248 3.1294 3.4119 3.4680 7.9990 8.1375 9.3208 9.3439 9.8579 9.8736 11.7332 11.7338 k = 0.5060 0.2146 0.2117 ( 4163 PWs) bands (ev): -24.2387 -24.2387 -16.2058 -16.2027 -13.5879 -13.5767 -13.4259 -13.4243 -7.9285 -7.9164 -7.6834 -7.6704 -7.6367 -7.6343 -6.6671 -6.6555 -1.4777 -1.3744 -1.0662 -1.0360 -0.0053 0.1412 1.6936 1.6952 1.7649 1.7688 2.5388 2.5635 2.7886 2.7930 3.1407 3.1453 3.4392 3.4981 7.9540 8.1010 9.2177 9.2432 9.7809 9.8005 11.7647 11.7647 k = 0.5062 0.2247 0.2217 ( 4165 PWs) bands (ev): -24.2385 -24.2385 -16.1968 -16.1936 -13.5901 -13.5787 -13.4344 -13.4328 -7.9302 -7.9183 -7.6857 -7.6728 -7.6384 -7.6360 -6.7118 -6.7001 -1.4254 -1.3170 -1.0126 -0.9807 -0.0057 0.1469 1.6760 1.6776 1.7442 1.7476 2.5510 2.5775 2.8010 2.8054 3.1562 3.1610 3.4670 3.5288 7.9080 8.0635 9.1135 9.1414 9.7034 9.7269 11.7964 11.7969 k = 0.5065 0.2347 0.2316 ( 4165 PWs) bands (ev): -24.2384 -24.2384 -16.1877 -16.1845 -13.5924 -13.5808 -13.4429 -13.4412 -7.9318 -7.9202 -7.6878 -7.6752 -7.6401 -7.6377 -6.7561 -6.7442 -1.3727 -1.2589 -0.9587 -0.9258 -0.0058 0.1525 1.6588 1.6605 1.7238 1.7267 2.5646 2.5928 2.8135 2.8179 3.1714 3.1762 3.4954 3.5600 7.8611 8.0250 9.0088 9.0390 9.6255 9.6531 11.8285 11.8294 k = 0.5068 0.2448 0.2415 ( 4167 PWs) bands (ev): -24.2382 -24.2382 -16.1785 -16.1752 -13.5947 -13.5830 -13.4513 -13.4496 -7.9335 -7.9222 -7.6900 -7.6776 -7.6419 -7.6396 -6.7998 -6.7879 -1.3200 -1.2004 -0.9049 -0.8716 -0.0057 0.1580 1.6422 1.6439 1.7038 1.7062 2.5795 2.6093 2.8259 2.8303 3.1862 3.1912 3.5243 3.5918 7.8133 7.9857 8.9040 8.9365 9.5476 9.5795 11.8608 11.8619 k = 0.5071 0.2549 0.2515 ( 4173 PWs) bands (ev): -24.2380 -24.2380 -16.1693 -16.1660 -13.5971 -13.5852 -13.4596 -13.4578 -7.9351 -7.9243 -7.6921 -7.6801 -7.6438 -7.6417 -6.8429 -6.8309 -1.2675 -1.1417 -0.8511 -0.8183 -0.0054 0.1632 1.6261 1.6279 1.6843 1.6861 2.5957 2.6269 2.8382 2.8426 3.2006 3.2056 3.5538 3.6241 7.7649 7.9455 8.7995 8.8343 9.4700 9.5061 11.8930 11.8941 k = 0.5073 0.2649 0.2614 ( 4173 PWs) bands (ev): -24.2379 -24.2379 -16.1600 -16.1567 -13.5994 -13.5875 -13.4677 -13.4659 -7.9366 -7.9264 -7.6941 -7.6826 -7.6457 -7.6438 -6.8851 -6.8731 -1.2153 -1.0829 -0.7975 -0.7659 -0.0050 0.1681 1.6106 1.6125 1.6653 1.6667 2.6131 2.6455 2.8503 2.8548 3.2146 3.2197 3.5837 3.6568 7.7160 7.9047 8.6957 8.7327 9.3931 9.4333 11.9246 11.9257 k = 0.5076 0.2750 0.2713 ( 4173 PWs) bands (ev): -24.2377 -24.2377 -16.1508 -16.1475 -13.6018 -13.5899 -13.4757 -13.4739 -7.9381 -7.9285 -7.6960 -7.6851 -7.6477 -7.6460 -6.9265 -6.9144 -1.1636 -1.0243 -0.7442 -0.7148 -0.0043 0.1726 1.5958 1.5977 1.6469 1.6479 2.6316 2.6651 2.8624 2.8668 3.2281 3.2333 3.6141 3.6899 7.6668 7.8631 8.5931 8.6322 9.3170 9.3613 11.9553 11.9564 k = 0.5079 0.2851 0.2812 ( 4173 PWs) bands (ev): -24.2375 -24.2375 -16.1417 -16.1384 -13.6042 -13.5924 -13.4834 -13.4816 -7.9395 -7.9306 -7.6978 -7.6876 -7.6498 -7.6482 -6.9668 -6.9548 -1.1128 -0.9661 -0.6914 -0.6650 -0.0036 0.1767 1.5816 1.5836 1.6292 1.6298 2.6511 2.6855 2.8741 2.8785 3.2412 3.2465 3.6450 3.7233 7.6173 7.8208 8.4920 8.5332 9.2420 9.2903 11.9848 11.9857 k = 0.5081 0.2951 0.2912 ( 4174 PWs) bands (ev): -24.2374 -24.2374 -16.1327 -16.1294 -13.6067 -13.5950 -13.4909 -13.4891 -7.9408 -7.9327 -7.6994 -7.6901 -7.6518 -7.6505 -7.0060 -6.9940 -1.0629 -0.9086 -0.6390 -0.6167 -0.0026 0.1801 1.5682 1.5702 1.6122 1.6125 2.6715 2.7065 2.8857 2.8900 3.2539 3.2591 3.6762 3.7569 7.5677 7.7778 8.3929 8.4360 9.1685 9.2205 12.0128 12.0135 k = 0.5084 0.3052 0.3011 ( 4175 PWs) bands (ev): -24.2372 -24.2372 -16.1238 -16.1206 -13.6091 -13.5976 -13.4980 -13.4962 -7.9420 -7.9348 -7.7010 -7.6926 -7.6539 -7.6529 -7.0440 -7.0320 -1.0141 -0.8520 -0.5872 -0.5701 -0.0016 0.1829 1.5555 1.5575 1.5960 1.5960 2.6926 2.7280 2.8968 2.9010 3.2660 3.2713 3.7078 3.7907 7.5183 7.7342 8.2964 8.3411 9.0966 9.1522 12.0388 12.0394 k = 0.5087 0.3153 0.3110 ( 4173 PWs) bands (ev): -24.2371 -24.2371 -16.1151 -16.1119 -13.6116 -13.6004 -13.5048 -13.5031 -7.9432 -7.9368 -7.7024 -7.6950 -7.6560 -7.6552 -7.0807 -7.0687 -0.9666 -0.7967 -0.5361 -0.5251 -0.0003 0.1849 1.5435 1.5456 1.5804 1.5806 2.7143 2.7498 2.9077 2.9117 3.2777 3.2830 3.7396 3.8245 7.4692 7.6898 8.2028 8.2488 9.0268 9.0855 12.0628 12.0631 k = 0.5090 0.3253 0.3210 ( 4173 PWs) bands (ev): -24.2370 -24.2370 -16.1066 -16.1035 -13.6141 -13.6031 -13.5112 -13.5096 -7.9442 -7.9388 -7.7036 -7.6974 -7.6581 -7.6575 -7.1160 -7.1040 -0.9206 -0.7430 -0.4860 -0.4819 0.0011 0.1861 1.5323 1.5345 1.5657 1.5662 2.7363 2.7717 2.9181 2.9219 3.2888 3.2941 3.7716 3.8582 7.4206 7.6447 8.1127 8.1595 8.9592 9.0206 12.0843 12.0845 k = 0.5092 0.3354 0.3309 ( 4169 PWs) bands (ev): -24.2368 -24.2368 -16.0984 -16.0954 -13.6166 -13.6060 -13.5173 -13.5157 -7.9451 -7.9407 -7.7047 -7.6997 -7.6602 -7.6598 -7.1498 -7.1379 -0.8761 -0.6912 -0.4406 -0.4368 0.0027 0.1864 1.5219 1.5241 1.5520 1.5526 2.7586 2.7935 2.9281 2.9317 3.2995 3.3047 3.8038 3.8916 7.3729 7.5987 8.0267 8.0736 8.8941 8.9578 12.1034 12.1034 k = 0.5095 0.3455 0.3408 ( 4167 PWs) bands (ev): -24.2367 -24.2367 -16.0905 -16.0875 -13.6191 -13.6089 -13.5229 -13.5214 -7.9460 -7.9425 -7.7057 -7.7019 -7.6622 -7.6620 -7.1821 -7.1702 -0.8333 -0.6418 -0.4011 -0.3889 0.0047 0.1857 1.5123 1.5145 1.5392 1.5399 2.7807 2.8151 2.9375 2.9409 3.3097 3.3148 3.8358 3.9245 7.3261 7.5520 7.9452 7.9914 8.8318 8.8972 12.1197 12.1197 k = 0.5098 0.3555 0.3508 ( 4171 PWs) bands (ev): -24.2366 -24.2366 -16.0829 -16.0801 -13.6215 -13.6119 -13.5281 -13.5268 -7.9468 -7.9443 -7.7065 -7.7040 -7.6642 -7.6641 -7.2128 -7.2009 -0.7922 -0.5950 -0.3637 -0.3425 0.0070 0.1840 1.5035 1.5057 1.5274 1.5282 2.8027 2.8363 2.9465 2.9495 3.3193 3.3243 3.8677 3.9567 7.2806 7.5043 7.8687 7.9133 8.7725 8.8390 12.1334 12.1335 k = 0.5100 0.3656 0.3607 ( 4169 PWs) bands (ev): -24.2364 -24.2364 -16.0757 -16.0729 -13.6239 -13.6148 -13.5328 -13.5317 -7.9474 -7.9459 -7.7071 -7.7060 -7.6661 -7.6660 -7.2418 -7.2299 -0.7528 -0.5514 -0.3281 -0.2977 0.0099 0.1812 1.4955 1.4976 1.5166 1.5174 2.8242 2.8568 2.9550 2.9576 3.3284 3.3333 3.8993 3.9879 7.2368 7.4559 7.7977 7.8395 8.7165 8.7834 12.1446 12.1446 k = 0.5103 0.3757 0.3706 ( 4167 PWs) bands (ev): -24.2363 -24.2363 -16.0688 -16.0662 -13.6263 -13.6177 -13.5371 -13.5361 -7.9480 -7.9473 -7.7079 -7.7076 -7.6680 -7.6679 -7.2689 -7.2572 -0.7153 -0.5114 -0.2945 -0.2548 0.0133 0.1772 1.4883 1.4904 1.5068 1.5075 2.8451 2.8764 2.9629 2.9651 3.3370 3.3417 3.9304 4.0179 7.1949 7.4069 7.7324 7.7704 8.6641 8.7307 12.1534 12.1534 k = 0.5106 0.3857 0.3805 ( 4161 PWs) bands (ev): -24.2362 -24.2362 -16.0624 -16.0600 -13.6285 -13.6206 -13.5410 -13.5402 -7.9487 -7.9486 -7.7096 -7.7080 -7.6697 -7.6696 -7.2942 -7.2826 -0.6796 -0.4753 -0.2628 -0.2140 0.0174 0.1722 1.4818 1.4839 1.4979 1.4986 2.8652 2.8951 2.9703 2.9719 3.3450 3.3495 3.9607 4.0464 7.1552 7.3578 7.6730 7.7063 8.6154 8.6810 12.1599 12.1600 k = 0.5109 0.3958 0.3905 ( 4165 PWs) bands (ev): -24.2361 -24.2361 -16.0565 -16.0542 -13.6307 -13.6234 -13.5444 -13.5438 -7.9499 -7.9491 -7.7111 -7.7084 -7.6713 -7.6711 -7.3176 -7.3062 -0.6457 -0.4438 -0.2329 -0.1757 0.0222 0.1659 1.4761 1.4781 1.4900 1.4906 2.8842 2.9126 2.9771 2.9782 3.3524 3.3567 3.9900 4.0731 7.1183 7.3092 7.6194 7.6473 8.5708 8.6345 12.1645 12.1647 k = 0.5111 0.4058 0.4004 ( 4172 PWs) bands (ev): -24.2360 -24.2360 -16.0511 -16.0489 -13.6327 -13.6261 -13.5475 -13.5470 -7.9509 -7.9495 -7.7124 -7.7086 -7.6727 -7.6726 -7.3388 -7.3278 -0.6137 -0.4170 -0.2047 -0.1400 0.0277 0.1585 1.4712 1.4731 1.4830 1.4836 2.9019 2.9286 2.9834 2.9839 3.3592 3.3633 4.0181 4.0977 7.0844 7.2617 7.5715 7.5937 8.5303 8.5914 12.1674 12.1677 k = 0.5114 0.4159 0.4103 ( 4174 PWs) bands (ev): -24.2360 -24.2360 -16.0461 -16.0442 -13.6345 -13.6286 -13.5502 -13.5498 -7.9518 -7.9500 -7.7134 -7.7089 -7.6740 -7.6739 -7.3580 -7.3473 -0.5836 -0.3953 -0.1779 -0.1073 0.0337 0.1499 1.4669 1.4687 1.4770 1.4775 2.9182 2.9432 2.9891 2.9892 3.3654 3.3692 4.0448 4.1199 7.0540 7.2161 7.5289 7.5457 8.4943 8.5519 12.1690 12.1694 k = 0.5117 0.4260 0.4203 ( 4173 PWs) bands (ev): -24.2359 -24.2359 -16.0417 -16.0400 -13.6362 -13.6309 -13.5525 -13.5523 -7.9525 -7.9504 -7.7143 -7.7092 -7.6751 -7.6750 -7.3749 -7.3648 -0.5554 -0.3788 -0.1524 -0.0777 0.0399 0.1402 1.4633 1.4649 1.4719 1.4723 2.9329 2.9559 2.9938 2.9945 3.3710 3.3744 4.0696 4.1393 7.0275 7.1733 7.4916 7.5034 8.4627 8.5161 12.1695 12.1700 k = 0.5120 0.4360 0.4302 ( 4171 PWs) bands (ev): -24.2358 -24.2358 -16.0379 -16.0363 -13.6376 -13.6330 -13.5544 -13.5543 -7.9531 -7.9508 -7.7149 -7.7095 -7.6760 -7.6759 -7.3895 -7.3801 -0.5290 -0.3674 -0.1281 -0.0515 0.0460 0.1293 1.4603 1.4617 1.4677 1.4680 2.9459 2.9666 2.9983 2.9994 3.3759 3.3789 4.0924 4.1558 7.0052 7.1338 7.4594 7.4670 8.4359 8.4843 12.1693 12.1699 k = 0.5122 0.4461 0.4401 ( 4173 PWs) bands (ev): -24.2358 -24.2358 -16.0346 -16.0333 -13.6388 -13.6349 -13.5560 -13.5559 -7.9535 -7.9512 -7.7153 -7.7099 -7.6767 -7.6767 -7.4016 -7.3931 -0.5046 -0.3609 -0.1050 -0.0288 0.0514 0.1173 1.4578 1.4590 1.4644 1.4647 2.9570 2.9751 3.0026 3.0038 3.3801 3.3828 4.1128 4.1690 6.9874 7.0983 7.4321 7.4364 8.4138 8.4565 12.1687 12.1692 k = 0.5125 0.4562 0.4501 ( 4173 PWs) bands (ev): -24.2358 -24.2358 -16.0320 -16.0308 -13.6397 -13.6365 -13.5573 -13.5573 -7.9538 -7.9517 -7.7155 -7.7105 -7.6773 -7.6772 -7.4113 -7.4039 -0.4822 -0.3589 -0.0829 -0.0099 0.0555 0.1044 1.4560 1.4568 1.4620 1.4622 2.9662 2.9814 3.0067 3.0077 3.3836 3.3859 4.1306 4.1787 6.9745 7.0674 7.4098 7.4119 8.3965 8.4330 12.1678 12.1683 k = 0.5128 0.4662 0.4600 ( 4170 PWs) bands (ev): -24.2357 -24.2357 -16.0299 -16.0290 -13.6404 -13.6378 -13.5582 -13.5582 -7.9539 -7.9521 -7.7155 -7.7112 -7.6777 -7.6777 -7.4184 -7.4123 -0.4619 -0.3610 -0.0621 0.0050 0.0581 0.0907 1.4546 1.4552 1.4603 1.4605 2.9735 2.9855 3.0105 3.0111 3.3864 3.3882 4.1454 4.1847 6.9667 7.0412 7.3927 7.3933 8.3841 8.4139 12.1669 12.1674 k = 0.5130 0.4763 0.4699 ( 4166 PWs) bands (ev): -24.2357 -24.2357 -16.0285 -16.0278 -13.6407 -13.6387 -13.5589 -13.5589 -7.9540 -7.9525 -7.7153 -7.7119 -7.6779 -7.6779 -7.4229 -7.4182 -0.4438 -0.3668 -0.0425 0.0154 0.0585 0.0766 1.4539 1.4541 1.4593 1.4595 2.9790 2.9878 3.0135 3.0139 3.3884 3.3898 4.1571 4.1871 6.9641 7.0203 7.3807 7.3807 8.3766 8.3993 12.1662 12.1665 k = 0.5133 0.4864 0.4799 ( 4162 PWs) bands (ev): -24.2357 -24.2357 -16.0277 -16.0272 -13.6407 -13.6394 -13.5592 -13.5592 -7.9539 -7.9529 -7.7151 -7.7128 -7.6781 -7.6781 -7.4248 -7.4216 -0.4279 -0.3760 -0.0244 0.0202 0.0567 0.0633 1.4537 1.4537 1.4590 1.4592 2.9828 2.9886 3.0156 3.0157 3.3896 3.3906 4.1654 4.1857 6.9670 7.0046 7.3740 7.3741 8.3740 8.3893 12.1657 12.1659 Writing output data file KIO3.save init_run : 2.28s CPU 11.98s WALL ( 1 calls) electrons : 385.21s CPU 389.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.95s WALL ( 1 calls) Called by electrons: c_bands : 385.07s CPU 389.62s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.61s WALL ( 1 calls) newd : 0.27s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 290 calls) cegterg : 361.30s CPU 363.61s WALL ( 706 calls) Called by sum_band: Called by *egterg: h_psi : 150.46s CPU 156.66s WALL ( 12572 calls) s_psi : 10.70s CPU 11.19s WALL ( 12572 calls) g_psi : 0.46s CPU 0.56s WALL ( 11576 calls) cdiaghg : 141.29s CPU 138.73s WALL ( 11866 calls) cegterg:over : 33.15s CPU 30.42s WALL ( 11576 calls) cegterg:upda : 5.98s CPU 8.98s WALL ( 11576 calls) cegterg:last : 5.74s CPU 6.51s WALL ( 1880 calls) Called by h_psi: h_psi:vloc : 123.22s CPU 128.38s WALL ( 12572 calls) h_psi:vnl : 27.07s CPU 27.76s WALL ( 12572 calls) add_vuspsi : 6.84s CPU 9.87s WALL ( 12572 calls) General routines calbec : 20.18s CPU 17.75s WALL ( 12572 calls) fft : 0.49s CPU 1.09s WALL ( 19 calls) ffts : 0.15s CPU 0.48s WALL ( 4 calls) fftw : 116.70s CPU 120.24s WALL ( 903864 calls) interpolate : 0.16s CPU 0.51s WALL ( 4 calls) davcio : 0.03s CPU 1.40s WALL ( 580 calls) Parallel routines fft_scatter : 83.15s CPU 85.19s WALL ( 903887 calls) PWSCF : 7m 4.52s CPU 8m15.58s WALL This run was terminated on: 23:44:11 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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