Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:23:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YTlTe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 52 15 1840 1064 166 Max 75 53 17 1841 1079 168 Sum 2691 1877 547 66265 38501 6017 bravais-lattice index = 14 lattice parameter (alat) = 16.0769 a.u. unit-cell volume = 946.6392 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.076931 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.861969 celldm(5)= 0.861969 celldm(6)= 0.861969 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.861969 0.506961 0.000000 ) a(3) = ( 0.861969 0.234689 0.449366 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.700267 -1.030193 ) b(2) = ( 0.000000 1.972539 -1.030193 ) b(3) = ( 0.000000 0.000000 2.225356 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Te 6.00 127.60000 Te( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0119048 -0.0202413 -0.0122642), wk = 0.0036496 k( 3) = ( 0.0238095 -0.0404826 -0.0245284), wk = 0.0036496 k( 4) = ( 0.0357143 -0.0607238 -0.0367926), wk = 0.0036496 k( 5) = ( 0.0476191 -0.0809651 -0.0490568), wk = 0.0036496 k( 6) = ( 0.0595238 -0.1012064 -0.0613210), wk = 0.0036496 k( 7) = ( 0.0714286 -0.1214477 -0.0735852), wk = 0.0036496 k( 8) = ( 0.0833333 -0.1416890 -0.0858494), wk = 0.0036496 k( 9) = ( 0.0952381 -0.1619302 -0.0981136), wk = 0.0036496 k( 10) = ( 0.1071429 -0.1821715 -0.1103778), wk = 0.0036496 k( 11) = ( 0.1190476 -0.2024128 -0.1226420), wk = 0.0036496 k( 12) = ( 0.1309524 -0.2226541 -0.1349062), wk = 0.0036496 k( 13) = ( 0.1428571 -0.2428953 -0.1471704), wk = 0.0036496 k( 14) = ( 0.1547619 -0.2631366 -0.1594346), wk = 0.0036496 k( 15) = ( 0.1666667 -0.2833779 -0.1716989), wk = 0.0036496 k( 16) = ( 0.1785714 -0.3036192 -0.1839631), wk = 0.0036496 k( 17) = ( 0.1904762 -0.3238605 -0.1962273), wk = 0.0036496 k( 18) = ( 0.2023810 -0.3441017 -0.2084915), wk = 0.0036496 k( 19) = ( 0.2142857 -0.3643430 -0.2207557), wk = 0.0036496 k( 20) = ( 0.2261905 -0.3845843 -0.2330199), wk = 0.0036496 k( 21) = ( 0.2380952 -0.4048256 -0.2452841), wk = 0.0036496 k( 22) = ( 0.2500000 -0.4250669 -0.2575483), wk = 0.0036496 k( 23) = ( 0.2619048 -0.4453081 -0.2698125), wk = 0.0036496 k( 24) = ( 0.2738095 -0.4655494 -0.2820767), wk = 0.0036496 k( 25) = ( 0.2857143 -0.4857907 -0.2943409), wk = 0.0036496 k( 26) = ( 0.2976190 -0.5060320 -0.3066051), wk = 0.0036496 k( 27) = ( 0.3095238 -0.5262733 -0.3188693), wk = 0.0036496 k( 28) = ( 0.3214286 -0.5465145 -0.3311335), wk = 0.0036496 k( 29) = ( 0.3333333 -0.5667558 -0.3433977), wk = 0.0036496 k( 30) = ( 0.3452381 -0.5869971 -0.3556619), wk = 0.0036496 k( 31) = ( 0.3571429 -0.6072384 -0.3679261), wk = 0.0036496 k( 32) = ( 0.3690476 -0.6274797 -0.3801903), wk = 0.0036496 k( 33) = ( 0.3809524 -0.6477209 -0.3924545), wk = 0.0036496 k( 34) = ( 0.3928571 -0.6679622 -0.4047187), wk = 0.0036496 k( 35) = ( 0.4047619 -0.6882035 -0.4169829), wk = 0.0036496 k( 36) = ( 0.4166667 -0.7084448 -0.4292471), wk = 0.0036496 k( 37) = ( 0.4285714 -0.7286861 -0.4415113), wk = 0.0036496 k( 38) = ( 0.4404762 -0.7489273 -0.4537755), wk = 0.0036496 k( 39) = ( 0.4523810 -0.7691686 -0.4660397), wk = 0.0036496 k( 40) = ( 0.4642857 -0.7894099 -0.4783039), wk = 0.0036496 k( 41) = ( 0.4761905 -0.8096512 -0.4905681), wk = 0.0036496 k( 42) = ( 0.4880952 -0.8298925 -0.5028323), wk = 0.0036496 k( 43) = ( 0.5000000 -0.8501337 -0.5150965), wk = 0.0036496 k( 44) = ( 0.5000000 -0.8501337 -0.5150965), wk = 0.0036496 k( 45) = ( 0.5000000 -0.8362078 -0.5380804), wk = 0.0036496 k( 46) = ( 0.5000000 -0.8222818 -0.5610643), wk = 0.0036496 k( 47) = ( 0.5000000 -0.8083559 -0.5840482), wk = 0.0036496 k( 48) = ( 0.5000000 -0.7944299 -0.6070321), wk = 0.0036496 k( 49) = ( 0.5000000 -0.7805040 -0.6300160), wk = 0.0036496 k( 50) = ( 0.5000000 -0.7665780 -0.6529999), wk = 0.0036496 k( 51) = ( 0.5000000 -0.7526521 -0.6759838), wk = 0.0036496 k( 52) = ( 0.5000000 -0.7387261 -0.6989677), wk = 0.0036496 k( 53) = ( 0.5000000 -0.7248001 -0.7219516), wk = 0.0036496 k( 54) = ( 0.5000000 -0.7108742 -0.7449355), wk = 0.0036496 k( 55) = ( 0.5000000 -0.6969482 -0.7679194), wk = 0.0036496 k( 56) = ( 0.5000000 -0.6830223 -0.7909033), wk = 0.0036496 k( 57) = ( 0.5000000 -0.6690963 -0.8138871), wk = 0.0036496 k( 58) = ( 0.5000000 -0.6551704 -0.8368711), wk = 0.0036496 k( 59) = ( 0.5000000 -0.6412444 -0.8598549), wk = 0.0036496 k( 60) = ( 0.5000000 -0.6273185 -0.8828389), wk = 0.0036496 k( 61) = ( 0.5000000 -0.6133925 -0.9058227), wk = 0.0036496 k( 62) = ( 0.5000000 -0.5994666 -0.9288066), wk = 0.0036496 k( 63) = ( 0.5000000 -0.5855406 -0.9517905), wk = 0.0036496 k( 64) = ( 0.5000000 -0.5716146 -0.9747744), wk = 0.0036496 k( 65) = ( 0.5000000 -0.5576887 -0.9977583), wk = 0.0036496 k( 66) = ( 0.5000000 -0.5437627 -1.0207422), wk = 0.0036496 k( 67) = ( 0.5000000 -0.5298368 -1.0437261), wk = 0.0036496 k( 68) = ( 0.5000000 -0.5159108 -1.0667100), wk = 0.0036496 k( 69) = ( 0.5000000 -0.5019849 -1.0896939), wk = 0.0036496 k( 70) = ( 0.5000000 -0.4880589 -1.1126778), wk = 0.0036496 k( 71) = ( 0.8164422 -0.4019008 -0.9477084), wk = 0.0036496 k( 72) = ( 0.8094102 -0.3899444 -0.9248152), wk = 0.0036496 k( 73) = ( 0.8023781 -0.3779880 -0.9019220), wk = 0.0036496 k( 74) = ( 0.7953461 -0.3660317 -0.8790289), wk = 0.0036496 k( 75) = ( 0.7883140 -0.3540753 -0.8561357), wk = 0.0036496 k( 76) = ( 0.7812820 -0.3421189 -0.8332425), wk = 0.0036496 k( 77) = ( 0.7742499 -0.3301626 -0.8103493), wk = 0.0036496 k( 78) = ( 0.7672179 -0.3182062 -0.7874561), wk = 0.0036496 k( 79) = ( 0.7601858 -0.3062498 -0.7645630), wk = 0.0036496 k( 80) = ( 0.7531538 -0.2942935 -0.7416698), wk = 0.0036496 k( 81) = ( 0.7461217 -0.2823371 -0.7187766), wk = 0.0036496 k( 82) = ( 0.7390897 -0.2703807 -0.6958834), wk = 0.0036496 k( 83) = ( 0.7320576 -0.2584244 -0.6729902), wk = 0.0036496 k( 84) = ( 0.7250256 -0.2464680 -0.6500971), wk = 0.0036496 k( 85) = ( 0.7179935 -0.2345116 -0.6272039), wk = 0.0036496 k( 86) = ( 0.7109615 -0.2225553 -0.6043107), wk = 0.0036496 k( 87) = ( 0.7039294 -0.2105989 -0.5814175), wk = 0.0036496 k( 88) = ( 0.6968974 -0.1986425 -0.5585243), wk = 0.0036496 k( 89) = ( 0.6898653 -0.1866862 -0.5356312), wk = 0.0036496 k( 90) = ( 0.6828333 -0.1747298 -0.5127380), wk = 0.0036496 k( 91) = ( 0.6758012 -0.1627734 -0.4898448), wk = 0.0036496 k( 92) = ( 0.6687692 -0.1508171 -0.4669516), wk = 0.0036496 k( 93) = ( 0.6617371 -0.1388607 -0.4440584), wk = 0.0036496 k( 94) = ( 0.6547051 -0.1269044 -0.4211653), wk = 0.0036496 k( 95) = ( 0.6476730 -0.1149480 -0.3982721), wk = 0.0036496 k( 96) = ( 0.6406410 -0.1029916 -0.3753789), wk = 0.0036496 k( 97) = ( 0.6336089 -0.0910353 -0.3524857), wk = 0.0036496 k( 98) = ( 0.6265769 -0.0790789 -0.3295925), wk = 0.0036496 k( 99) = ( 0.6195448 -0.0671225 -0.3066993), wk = 0.0036496 k( 100) = ( 0.6125128 -0.0551662 -0.2838062), wk = 0.0036496 k( 101) = ( 0.6054807 -0.0432098 -0.2609130), wk = 0.0036496 k( 102) = ( 0.5984487 -0.0312534 -0.2380198), wk = 0.0036496 k( 103) = ( 0.5914166 -0.0192971 -0.2151267), wk = 0.0036496 k( 104) = ( 0.5843846 -0.0073407 -0.1922335), wk = 0.0036496 k( 105) = ( 0.5773525 0.0046157 -0.1693403), wk = 0.0036496 k( 106) = ( 0.5703205 0.0165720 -0.1464471), wk = 0.0036496 k( 107) = ( 0.5632885 0.0285284 -0.1235539), wk = 0.0036496 k( 108) = ( 0.5562564 0.0404848 -0.1006608), wk = 0.0036496 k( 109) = ( 0.5492244 0.0524411 -0.0777676), wk = 0.0036496 k( 110) = ( 0.5421923 0.0643975 -0.0548744), wk = 0.0036496 k( 111) = ( 0.5351603 0.0763539 -0.0319812), wk = 0.0036496 k( 112) = ( 0.5281282 0.0883102 -0.0090880), wk = 0.0036496 k( 113) = ( 0.5210961 0.1002666 0.0138051), wk = 0.0036496 k( 114) = ( 0.5140641 0.1122230 0.0366983), wk = 0.0036496 k( 115) = ( 0.5070320 0.1241793 0.0595915), wk = 0.0036496 k( 116) = ( 0.5000000 0.1361357 0.0824847), wk = 0.0036496 k( 117) = ( 0.5000000 0.1361357 0.0824847), wk = 0.0036496 k( 118) = ( 0.4750000 0.1293289 0.0783605), wk = 0.0036496 k( 119) = ( 0.4500000 0.1225221 0.0742362), wk = 0.0036496 k( 120) = ( 0.4250000 0.1157153 0.0701120), wk = 0.0036496 k( 121) = ( 0.4000000 0.1089085 0.0659878), wk = 0.0036496 k( 122) = ( 0.3750000 0.1021018 0.0618635), wk = 0.0036496 k( 123) = ( 0.3500000 0.0952950 0.0577393), wk = 0.0036496 k( 124) = ( 0.3250000 0.0884882 0.0536150), wk = 0.0036496 k( 125) = ( 0.3000000 0.0816814 0.0494908), wk = 0.0036496 k( 126) = ( 0.2750000 0.0748746 0.0453666), wk = 0.0036496 k( 127) = ( 0.2500000 0.0680678 0.0412423), wk = 0.0036496 k( 128) = ( 0.2250000 0.0612611 0.0371181), wk = 0.0036496 k( 129) = ( 0.2000000 0.0544543 0.0329939), wk = 0.0036496 k( 130) = ( 0.1750000 0.0476475 0.0288696), wk = 0.0036496 k( 131) = ( 0.1500000 0.0408407 0.0247454), wk = 0.0036496 k( 132) = ( 0.1250000 0.0340339 0.0206212), wk = 0.0036496 k( 133) = ( 0.1000000 0.0272271 0.0164969), wk = 0.0036496 k( 134) = ( 0.0750000 0.0204204 0.0123727), wk = 0.0036496 k( 135) = ( 0.0500000 0.0136136 0.0082485), wk = 0.0036496 k( 136) = ( 0.0250000 0.0068068 0.0041242), wk = 0.0036496 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 139) = ( 0.0069751 -0.0118595 -0.0227077), wk = 0.0036496 k( 140) = ( 0.0139502 -0.0237190 -0.0454154), wk = 0.0036496 k( 141) = ( 0.0209252 -0.0355785 -0.0681231), wk = 0.0036496 k( 142) = ( 0.0279003 -0.0474380 -0.0908308), wk = 0.0036496 k( 143) = ( 0.0348754 -0.0592975 -0.1135386), wk = 0.0036496 k( 144) = ( 0.0418505 -0.0711570 -0.1362463), wk = 0.0036496 k( 145) = ( 0.0488256 -0.0830165 -0.1589540), wk = 0.0036496 k( 146) = ( 0.0558006 -0.0948760 -0.1816617), wk = 0.0036496 k( 147) = ( 0.0627757 -0.1067355 -0.2043694), wk = 0.0036496 k( 148) = ( 0.0697508 -0.1185950 -0.2270771), wk = 0.0036496 k( 149) = ( 0.0767259 -0.1304545 -0.2497848), wk = 0.0036496 k( 150) = ( 0.0837009 -0.1423140 -0.2724925), wk = 0.0036496 k( 151) = ( 0.0906760 -0.1541735 -0.2952002), wk = 0.0036496 k( 152) = ( 0.0976511 -0.1660330 -0.3179079), wk = 0.0036496 k( 153) = ( 0.1046262 -0.1778925 -0.3406156), wk = 0.0036496 k( 154) = ( 0.1116013 -0.1897520 -0.3633234), wk = 0.0036496 k( 155) = ( 0.1185763 -0.2016115 -0.3860311), wk = 0.0036496 k( 156) = ( 0.1255514 -0.2134710 -0.4087388), wk = 0.0036496 k( 157) = ( 0.1325265 -0.2253305 -0.4314465), wk = 0.0036496 k( 158) = ( 0.1395016 -0.2371900 -0.4541542), wk = 0.0036496 k( 159) = ( 0.1464767 -0.2490495 -0.4768619), wk = 0.0036496 k( 160) = ( 0.1534517 -0.2609090 -0.4995696), wk = 0.0036496 k( 161) = ( 0.1604268 -0.2727685 -0.5222773), wk = 0.0036496 k( 162) = ( 0.1674019 -0.2846280 -0.5449850), wk = 0.0036496 k( 163) = ( 0.1743770 -0.2964875 -0.5676927), wk = 0.0036496 k( 164) = ( 0.1813521 -0.3083470 -0.5904004), wk = 0.0036496 k( 165) = ( 0.1883271 -0.3202065 -0.6131082), wk = 0.0036496 k( 166) = ( 0.1953022 -0.3320660 -0.6358159), wk = 0.0036496 k( 167) = ( 0.2022773 -0.3439255 -0.6585236), wk = 0.0036496 k( 168) = ( 0.2092524 -0.3557850 -0.6812313), wk = 0.0036496 k( 169) = ( 0.2162275 -0.3676445 -0.7039390), wk = 0.0036496 k( 170) = ( 0.2232025 -0.3795040 -0.7266467), wk = 0.0036496 k( 171) = ( 0.2301776 -0.3913635 -0.7493544), wk = 0.0036496 k( 172) = ( 0.2371527 -0.4032230 -0.7720621), wk = 0.0036496 k( 173) = ( 0.2441278 -0.4150825 -0.7947698), wk = 0.0036496 k( 174) = ( 0.2511028 -0.4269420 -0.8174775), wk = 0.0036496 k( 175) = ( 0.2580779 -0.4388015 -0.8401853), wk = 0.0036496 k( 176) = ( 0.2650530 -0.4506610 -0.8628930), wk = 0.0036496 k( 177) = ( 0.2720281 -0.4625205 -0.8856007), wk = 0.0036496 k( 178) = ( 0.2790032 -0.4743800 -0.9083084), wk = 0.0036496 k( 179) = ( 0.2859782 -0.4862395 -0.9310161), wk = 0.0036496 k( 180) = ( 0.2929533 -0.4980990 -0.9537238), wk = 0.0036496 k( 181) = ( 0.2999284 -0.5099585 -0.9764315), wk = 0.0036496 k( 182) = ( 0.3069035 -0.5218180 -0.9991392), wk = 0.0036496 k( 183) = ( 0.3138786 -0.5336775 -1.0218469), wk = 0.0036496 k( 184) = ( 0.3208536 -0.5455370 -1.0445547), wk = 0.0036496 k( 185) = ( 0.3278287 -0.5573965 -1.0672623), wk = 0.0036496 k( 186) = ( 0.3348038 -0.5692560 -1.0899701), wk = 0.0036496 k( 187) = ( 0.3417789 -0.5811155 -1.1126778), wk = 0.0036496 k( 188) = ( 0.6582211 -0.4449798 -1.0301931), wk = 0.0036496 k( 189) = ( 0.6513419 -0.4197140 -1.0301931), wk = 0.0036496 k( 190) = ( 0.6444628 -0.3944481 -1.0301931), wk = 0.0036496 k( 191) = ( 0.6375836 -0.3691822 -1.0301931), wk = 0.0036496 k( 192) = ( 0.6307044 -0.3439163 -1.0301931), wk = 0.0036496 k( 193) = ( 0.6238252 -0.3186504 -1.0301931), wk = 0.0036496 k( 194) = ( 0.6169460 -0.2933845 -1.0301931), wk = 0.0036496 k( 195) = ( 0.6100669 -0.2681186 -1.0301931), wk = 0.0036496 k( 196) = ( 0.6031877 -0.2428527 -1.0301931), wk = 0.0036496 k( 197) = ( 0.5963085 -0.2175868 -1.0301931), wk = 0.0036496 k( 198) = ( 0.5894293 -0.1923209 -1.0301931), wk = 0.0036496 k( 199) = ( 0.5825501 -0.1670550 -1.0301931), wk = 0.0036496 k( 200) = ( 0.5756710 -0.1417891 -1.0301931), wk = 0.0036496 k( 201) = ( 0.5687918 -0.1165232 -1.0301931), wk = 0.0036496 k( 202) = ( 0.5619126 -0.0912573 -1.0301931), wk = 0.0036496 k( 203) = ( 0.5550334 -0.0659914 -1.0301931), wk = 0.0036496 k( 204) = ( 0.5481542 -0.0407256 -1.0301931), wk = 0.0036496 k( 205) = ( 0.5412751 -0.0154597 -1.0301931), wk = 0.0036496 k( 206) = ( 0.5343959 0.0098062 -1.0301931), wk = 0.0036496 k( 207) = ( 0.5275167 0.0350721 -1.0301931), wk = 0.0036496 k( 208) = ( 0.5206375 0.0603380 -1.0301931), wk = 0.0036496 k( 209) = ( 0.5137584 0.0856039 -1.0301931), wk = 0.0036496 k( 210) = ( 0.5068792 0.1108698 -1.0301931), wk = 0.0036496 k( 211) = ( 0.5000000 0.1361357 -1.0301931), wk = 0.0036496 k( 212) = ( 0.5000000 0.1361357 -1.0301931), wk = 0.0036496 k( 213) = ( 0.5226030 0.1422898 -1.0184096), wk = 0.0036496 k( 214) = ( 0.5452060 0.1484440 -1.0066260), wk = 0.0036496 k( 215) = ( 0.5678091 0.1545981 -0.9948425), wk = 0.0036496 k( 216) = ( 0.5904121 0.1607523 -0.9830590), wk = 0.0036496 k( 217) = ( 0.6130151 0.1669065 -0.9712754), wk = 0.0036496 k( 218) = ( 0.6356181 0.1730606 -0.9594919), wk = 0.0036496 k( 219) = ( 0.6582211 0.1792148 -0.9477084), wk = 0.0036496 k( 220) = ( 0.6582211 0.1792148 -0.9477084), wk = 0.0036496 k( 221) = ( 0.6541642 0.1781102 -0.9212932), wk = 0.0036496 k( 222) = ( 0.6501072 0.1770056 -0.8948780), wk = 0.0036496 k( 223) = ( 0.6460503 0.1759010 -0.8684628), wk = 0.0036496 k( 224) = ( 0.6419933 0.1747964 -0.8420476), wk = 0.0036496 k( 225) = ( 0.6379364 0.1736918 -0.8156324), wk = 0.0036496 k( 226) = ( 0.6338794 0.1725872 -0.7892171), wk = 0.0036496 k( 227) = ( 0.6298225 0.1714826 -0.7628019), wk = 0.0036496 k( 228) = ( 0.6257655 0.1703780 -0.7363867), wk = 0.0036496 k( 229) = ( 0.6217086 0.1692734 -0.7099715), wk = 0.0036496 k( 230) = ( 0.6176516 0.1681688 -0.6835563), wk = 0.0036496 k( 231) = ( 0.6135947 0.1670643 -0.6571411), wk = 0.0036496 k( 232) = ( 0.6095377 0.1659597 -0.6307259), wk = 0.0036496 k( 233) = ( 0.6054807 0.1648551 -0.6043107), wk = 0.0036496 k( 234) = ( 0.6014238 0.1637505 -0.5778955), wk = 0.0036496 k( 235) = ( 0.5973668 0.1626459 -0.5514803), wk = 0.0036496 k( 236) = ( 0.5933099 0.1615413 -0.5250651), wk = 0.0036496 k( 237) = ( 0.5892529 0.1604367 -0.4986499), wk = 0.0036496 k( 238) = ( 0.5851960 0.1593321 -0.4722347), wk = 0.0036496 k( 239) = ( 0.5811390 0.1582275 -0.4458194), wk = 0.0036496 k( 240) = ( 0.5770821 0.1571229 -0.4194042), wk = 0.0036496 k( 241) = ( 0.5730251 0.1560183 -0.3929890), wk = 0.0036496 k( 242) = ( 0.5689682 0.1549137 -0.3665738), wk = 0.0036496 k( 243) = ( 0.5649112 0.1538092 -0.3401586), wk = 0.0036496 k( 244) = ( 0.5608543 0.1527046 -0.3137434), wk = 0.0036496 k( 245) = ( 0.5567973 0.1516000 -0.2873282), wk = 0.0036496 k( 246) = ( 0.5527404 0.1504954 -0.2609130), wk = 0.0036496 k( 247) = ( 0.5486834 0.1493908 -0.2344978), wk = 0.0036496 k( 248) = ( 0.5446265 0.1482862 -0.2080826), wk = 0.0036496 k( 249) = ( 0.5405695 0.1471816 -0.1816674), wk = 0.0036496 k( 250) = ( 0.5365126 0.1460770 -0.1552522), wk = 0.0036496 k( 251) = ( 0.5324556 0.1449724 -0.1288370), wk = 0.0036496 k( 252) = ( 0.5283987 0.1438678 -0.1024217), wk = 0.0036496 k( 253) = ( 0.5243417 0.1427632 -0.0760065), wk = 0.0036496 k( 254) = ( 0.5202848 0.1416586 -0.0495914), wk = 0.0036496 k( 255) = ( 0.5162278 0.1405541 -0.0231761), wk = 0.0036496 k( 256) = ( 0.5121709 0.1394495 0.0032391), wk = 0.0036496 k( 257) = ( 0.5081139 0.1383449 0.0296543), wk = 0.0036496 k( 258) = ( 0.5040569 0.1372403 0.0560695), wk = 0.0036496 k( 259) = ( 0.5000000 0.1361357 0.0824847), wk = 0.0036496 k( 260) = ( 0.5000000 -0.8501337 -0.5150965), wk = 0.0036496 k( 261) = ( 0.5226030 -0.8404098 -0.5092048), wk = 0.0036496 k( 262) = ( 0.5452060 -0.8306858 -0.5033130), wk = 0.0036496 k( 263) = ( 0.5678091 -0.8209618 -0.4974213), wk = 0.0036496 k( 264) = ( 0.5904121 -0.8112378 -0.4915295), wk = 0.0036496 k( 265) = ( 0.6130151 -0.8015138 -0.4856377), wk = 0.0036496 k( 266) = ( 0.6356181 -0.7917899 -0.4797460), wk = 0.0036496 k( 267) = ( 0.6582211 -0.7820659 -0.4738542), wk = 0.0036496 k( 268) = ( 0.6808241 -0.7723419 -0.4679624), wk = 0.0036496 k( 269) = ( 0.7034272 -0.7626179 -0.4620707), wk = 0.0036496 k( 270) = ( 0.7260302 -0.7528940 -0.4561789), wk = 0.0036496 k( 271) = ( 0.7486332 -0.7431700 -0.4502871), wk = 0.0036496 k( 272) = ( 0.7712362 -0.7334460 -0.4443954), wk = 0.0036496 k( 273) = ( 0.7938392 -0.7237220 -0.4385036), wk = 0.0036496 k( 274) = ( 0.8164422 -0.7139981 -0.4326118), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0036496 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0595238 0.0000000 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0036496 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0036496 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0036496 k( 11) = ( 0.1190476 0.0000000 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0036496 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1547619 -0.0000000 0.0000000), wk = 0.0036496 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0036496 k( 16) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0036496 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0036496 k( 19) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0036496 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0036496 k( 21) = ( 0.2380952 0.0000000 -0.0000000), wk = 0.0036496 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0036496 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0036496 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0036496 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0036496 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0036496 k( 27) = ( 0.3095238 0.0000000 -0.0000000), wk = 0.0036496 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0036496 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0036496 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0036496 k( 31) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0036496 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0036496 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0036496 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0036496 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4523810 0.0000000 -0.0000000), wk = 0.0036496 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0036496 k( 41) = ( 0.4761905 0.0000000 -0.0000000), wk = 0.0036496 k( 42) = ( 0.4880952 0.0000000 -0.0000000), wk = 0.0036496 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036496 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036496 k( 45) = ( 0.5000000 0.0070599 -0.0070599), wk = 0.0036496 k( 46) = ( 0.5000000 0.0141198 -0.0141198), wk = 0.0036496 k( 47) = ( 0.5000000 0.0211797 -0.0211797), wk = 0.0036496 k( 48) = ( 0.5000000 0.0282397 -0.0282397), wk = 0.0036496 k( 49) = ( 0.5000000 0.0352996 -0.0352996), wk = 0.0036496 k( 50) = ( 0.5000000 0.0423595 -0.0423595), wk = 0.0036496 k( 51) = ( 0.5000000 0.0494194 -0.0494194), wk = 0.0036496 k( 52) = ( 0.5000000 0.0564793 -0.0564793), wk = 0.0036496 k( 53) = ( 0.5000000 0.0635392 -0.0635392), wk = 0.0036496 k( 54) = ( 0.5000000 0.0705991 -0.0705991), wk = 0.0036496 k( 55) = ( 0.5000000 0.0776590 -0.0776591), wk = 0.0036496 k( 56) = ( 0.5000000 0.0847190 -0.0847190), wk = 0.0036496 k( 57) = ( 0.5000000 0.0917789 -0.0917789), wk = 0.0036496 k( 58) = ( 0.5000000 0.0988388 -0.0988388), wk = 0.0036496 k( 59) = ( 0.5000000 0.1058987 -0.1058987), wk = 0.0036496 k( 60) = ( 0.5000000 0.1129586 -0.1129586), wk = 0.0036496 k( 61) = ( 0.5000000 0.1200185 -0.1200185), wk = 0.0036496 k( 62) = ( 0.5000000 0.1270785 -0.1270785), wk = 0.0036496 k( 63) = ( 0.5000000 0.1341384 -0.1341384), wk = 0.0036496 k( 64) = ( 0.5000000 0.1411983 -0.1411983), wk = 0.0036496 k( 65) = ( 0.5000000 0.1482582 -0.1482582), wk = 0.0036496 k( 66) = ( 0.5000000 0.1553181 -0.1553181), wk = 0.0036496 k( 67) = ( 0.5000000 0.1623780 -0.1623780), wk = 0.0036496 k( 68) = ( 0.5000000 0.1694379 -0.1694379), wk = 0.0036496 k( 69) = ( 0.5000000 0.1764979 -0.1764979), wk = 0.0036496 k( 70) = ( 0.5000000 0.1835578 -0.1835578), wk = 0.0036496 k( 71) = ( 0.8164422 0.5000000 0.1835578), wk = 0.0036496 k( 72) = ( 0.8094102 0.5000000 0.1905898), wk = 0.0036496 k( 73) = ( 0.8023781 0.5000000 0.1976219), wk = 0.0036496 k( 74) = ( 0.7953461 0.5000000 0.2046539), wk = 0.0036496 k( 75) = ( 0.7883140 0.5000000 0.2116860), wk = 0.0036496 k( 76) = ( 0.7812820 0.5000000 0.2187180), wk = 0.0036496 k( 77) = ( 0.7742499 0.5000000 0.2257501), wk = 0.0036496 k( 78) = ( 0.7672179 0.5000000 0.2327821), wk = 0.0036496 k( 79) = ( 0.7601858 0.5000000 0.2398142), wk = 0.0036496 k( 80) = ( 0.7531538 0.5000000 0.2468462), wk = 0.0036496 k( 81) = ( 0.7461217 0.5000000 0.2538783), wk = 0.0036496 k( 82) = ( 0.7390897 0.5000000 0.2609103), wk = 0.0036496 k( 83) = ( 0.7320576 0.5000000 0.2679424), wk = 0.0036496 k( 84) = ( 0.7250256 0.5000000 0.2749744), wk = 0.0036496 k( 85) = ( 0.7179935 0.5000000 0.2820065), wk = 0.0036496 k( 86) = ( 0.7109615 0.5000000 0.2890385), wk = 0.0036496 k( 87) = ( 0.7039294 0.5000000 0.2960706), wk = 0.0036496 k( 88) = ( 0.6968974 0.5000000 0.3031026), wk = 0.0036496 k( 89) = ( 0.6898653 0.5000000 0.3101347), wk = 0.0036496 k( 90) = ( 0.6828333 0.5000000 0.3171667), wk = 0.0036496 k( 91) = ( 0.6758012 0.5000000 0.3241988), wk = 0.0036496 k( 92) = ( 0.6687692 0.5000000 0.3312308), wk = 0.0036496 k( 93) = ( 0.6617371 0.5000000 0.3382629), wk = 0.0036496 k( 94) = ( 0.6547051 0.5000000 0.3452949), wk = 0.0036496 k( 95) = ( 0.6476730 0.5000000 0.3523270), wk = 0.0036496 k( 96) = ( 0.6406410 0.5000000 0.3593590), wk = 0.0036496 k( 97) = ( 0.6336089 0.5000000 0.3663911), wk = 0.0036496 k( 98) = ( 0.6265769 0.5000000 0.3734231), wk = 0.0036496 k( 99) = ( 0.6195448 0.5000000 0.3804552), wk = 0.0036496 k( 100) = ( 0.6125128 0.5000000 0.3874872), wk = 0.0036496 k( 101) = ( 0.6054807 0.5000000 0.3945193), wk = 0.0036496 k( 102) = ( 0.5984487 0.5000000 0.4015513), wk = 0.0036496 k( 103) = ( 0.5914166 0.5000000 0.4085833), wk = 0.0036496 k( 104) = ( 0.5843846 0.5000000 0.4156154), wk = 0.0036496 k( 105) = ( 0.5773525 0.5000000 0.4226474), wk = 0.0036496 k( 106) = ( 0.5703205 0.5000000 0.4296795), wk = 0.0036496 k( 107) = ( 0.5632885 0.5000000 0.4367116), wk = 0.0036496 k( 108) = ( 0.5562564 0.5000000 0.4437436), wk = 0.0036496 k( 109) = ( 0.5492244 0.5000000 0.4507757), wk = 0.0036496 k( 110) = ( 0.5421923 0.5000000 0.4578077), wk = 0.0036496 k( 111) = ( 0.5351603 0.5000000 0.4648398), wk = 0.0036496 k( 112) = ( 0.5281282 0.5000000 0.4718718), wk = 0.0036496 k( 113) = ( 0.5210961 0.5000000 0.4789039), wk = 0.0036496 k( 114) = ( 0.5140641 0.5000000 0.4859359), wk = 0.0036496 k( 115) = ( 0.5070320 0.5000000 0.4929680), wk = 0.0036496 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 118) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0036496 k( 119) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0036496 k( 120) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0036496 k( 121) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036496 k( 122) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0036496 k( 123) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0036496 k( 124) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0036496 k( 125) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036496 k( 126) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0036496 k( 127) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 128) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0036496 k( 129) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036496 k( 130) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0036496 k( 131) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0036496 k( 132) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036496 k( 133) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036496 k( 134) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0036496 k( 135) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0036496 k( 136) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0036496 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 139) = ( 0.0069751 0.0000000 -0.0069751), wk = 0.0036496 k( 140) = ( 0.0139502 0.0000000 -0.0139502), wk = 0.0036496 k( 141) = ( 0.0209252 -0.0000000 -0.0209252), wk = 0.0036496 k( 142) = ( 0.0279003 0.0000000 -0.0279003), wk = 0.0036496 k( 143) = ( 0.0348754 -0.0000000 -0.0348754), wk = 0.0036496 k( 144) = ( 0.0418505 -0.0000000 -0.0418505), wk = 0.0036496 k( 145) = ( 0.0488256 -0.0000000 -0.0488256), wk = 0.0036496 k( 146) = ( 0.0558006 -0.0000000 -0.0558006), wk = 0.0036496 k( 147) = ( 0.0627757 0.0000000 -0.0627757), wk = 0.0036496 k( 148) = ( 0.0697508 -0.0000000 -0.0697508), wk = 0.0036496 k( 149) = ( 0.0767259 -0.0000000 -0.0767259), wk = 0.0036496 k( 150) = ( 0.0837009 -0.0000000 -0.0837010), wk = 0.0036496 k( 151) = ( 0.0906760 0.0000000 -0.0906760), wk = 0.0036496 k( 152) = ( 0.0976511 -0.0000000 -0.0976511), wk = 0.0036496 k( 153) = ( 0.1046262 0.0000000 -0.1046262), wk = 0.0036496 k( 154) = ( 0.1116013 0.0000000 -0.1116013), wk = 0.0036496 k( 155) = ( 0.1185763 -0.0000000 -0.1185764), wk = 0.0036496 k( 156) = ( 0.1255514 0.0000000 -0.1255514), wk = 0.0036496 k( 157) = ( 0.1325265 0.0000000 -0.1325265), wk = 0.0036496 k( 158) = ( 0.1395016 -0.0000000 -0.1395016), wk = 0.0036496 k( 159) = ( 0.1464767 0.0000000 -0.1464767), wk = 0.0036496 k( 160) = ( 0.1534517 -0.0000000 -0.1534517), wk = 0.0036496 k( 161) = ( 0.1604268 0.0000000 -0.1604268), wk = 0.0036496 k( 162) = ( 0.1674019 -0.0000000 -0.1674019), wk = 0.0036496 k( 163) = ( 0.1743770 0.0000000 -0.1743770), wk = 0.0036496 k( 164) = ( 0.1813521 0.0000000 -0.1813521), wk = 0.0036496 k( 165) = ( 0.1883271 0.0000000 -0.1883271), wk = 0.0036496 k( 166) = ( 0.1953022 -0.0000000 -0.1953022), wk = 0.0036496 k( 167) = ( 0.2022773 0.0000000 -0.2022773), wk = 0.0036496 k( 168) = ( 0.2092524 0.0000000 -0.2092524), wk = 0.0036496 k( 169) = ( 0.2162275 -0.0000000 -0.2162275), wk = 0.0036496 k( 170) = ( 0.2232025 0.0000000 -0.2232025), wk = 0.0036496 k( 171) = ( 0.2301776 0.0000000 -0.2301776), wk = 0.0036496 k( 172) = ( 0.2371527 -0.0000000 -0.2371527), wk = 0.0036496 k( 173) = ( 0.2441278 -0.0000000 -0.2441278), wk = 0.0036496 k( 174) = ( 0.2511028 -0.0000000 -0.2511029), wk = 0.0036496 k( 175) = ( 0.2580779 -0.0000000 -0.2580779), wk = 0.0036496 k( 176) = ( 0.2650530 -0.0000000 -0.2650530), wk = 0.0036496 k( 177) = ( 0.2720281 0.0000000 -0.2720281), wk = 0.0036496 k( 178) = ( 0.2790032 0.0000000 -0.2790032), wk = 0.0036496 k( 179) = ( 0.2859782 0.0000000 -0.2859783), wk = 0.0036496 k( 180) = ( 0.2929533 -0.0000000 -0.2929533), wk = 0.0036496 k( 181) = ( 0.2999284 0.0000000 -0.2999284), wk = 0.0036496 k( 182) = ( 0.3069035 0.0000000 -0.3069035), wk = 0.0036496 k( 183) = ( 0.3138786 -0.0000000 -0.3138786), wk = 0.0036496 k( 184) = ( 0.3208536 -0.0000000 -0.3208537), wk = 0.0036496 k( 185) = ( 0.3278287 -0.0000000 -0.3278287), wk = 0.0036496 k( 186) = ( 0.3348038 -0.0000000 -0.3348038), wk = 0.0036496 k( 187) = ( 0.3417789 -0.0000000 -0.3417789), wk = 0.0036496 k( 188) = ( 0.6582211 0.3417789 0.0000000), wk = 0.0036496 k( 189) = ( 0.6513419 0.3486581 0.0000000), wk = 0.0036496 k( 190) = ( 0.6444628 0.3555372 0.0000000), wk = 0.0036496 k( 191) = ( 0.6375836 0.3624164 -0.0000000), wk = 0.0036496 k( 192) = ( 0.6307044 0.3692956 -0.0000000), wk = 0.0036496 k( 193) = ( 0.6238252 0.3761748 0.0000000), wk = 0.0036496 k( 194) = ( 0.6169460 0.3830540 0.0000000), wk = 0.0036496 k( 195) = ( 0.6100669 0.3899331 0.0000000), wk = 0.0036496 k( 196) = ( 0.6031877 0.3968123 -0.0000000), wk = 0.0036496 k( 197) = ( 0.5963085 0.4036915 0.0000000), wk = 0.0036496 k( 198) = ( 0.5894293 0.4105707 -0.0000000), wk = 0.0036496 k( 199) = ( 0.5825501 0.4174499 -0.0000000), wk = 0.0036496 k( 200) = ( 0.5756710 0.4243290 -0.0000000), wk = 0.0036496 k( 201) = ( 0.5687918 0.4312082 -0.0000000), wk = 0.0036496 k( 202) = ( 0.5619126 0.4380874 -0.0000000), wk = 0.0036496 k( 203) = ( 0.5550334 0.4449666 -0.0000000), wk = 0.0036496 k( 204) = ( 0.5481542 0.4518457 0.0000000), wk = 0.0036496 k( 205) = ( 0.5412751 0.4587249 0.0000000), wk = 0.0036496 k( 206) = ( 0.5343959 0.4656041 -0.0000000), wk = 0.0036496 k( 207) = ( 0.5275167 0.4724833 -0.0000000), wk = 0.0036496 k( 208) = ( 0.5206375 0.4793625 -0.0000000), wk = 0.0036496 k( 209) = ( 0.5137584 0.4862416 0.0000000), wk = 0.0036496 k( 210) = ( 0.5068792 0.4931208 -0.0000000), wk = 0.0036496 k( 211) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036496 k( 212) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036496 k( 213) = ( 0.5226030 0.5226030 0.0262225), wk = 0.0036496 k( 214) = ( 0.5452060 0.5452060 0.0524451), wk = 0.0036496 k( 215) = ( 0.5678091 0.5678091 0.0786676), wk = 0.0036496 k( 216) = ( 0.5904121 0.5904121 0.1048902), wk = 0.0036496 k( 217) = ( 0.6130151 0.6130151 0.1311127), wk = 0.0036496 k( 218) = ( 0.6356181 0.6356181 0.1573352), wk = 0.0036496 k( 219) = ( 0.6582211 0.6582211 0.1835578), wk = 0.0036496 k( 220) = ( 0.6582211 0.6582211 0.1835578), wk = 0.0036496 k( 221) = ( 0.6541642 0.6541642 0.1916717), wk = 0.0036496 k( 222) = ( 0.6501072 0.6501072 0.1997856), wk = 0.0036496 k( 223) = ( 0.6460503 0.6460503 0.2078995), wk = 0.0036496 k( 224) = ( 0.6419933 0.6419933 0.2160134), wk = 0.0036496 k( 225) = ( 0.6379364 0.6379364 0.2241273), wk = 0.0036496 k( 226) = ( 0.6338794 0.6338794 0.2322412), wk = 0.0036496 k( 227) = ( 0.6298225 0.6298225 0.2403551), wk = 0.0036496 k( 228) = ( 0.6257655 0.6257655 0.2484690), wk = 0.0036496 k( 229) = ( 0.6217086 0.6217086 0.2565829), wk = 0.0036496 k( 230) = ( 0.6176516 0.6176516 0.2646968), wk = 0.0036496 k( 231) = ( 0.6135947 0.6135947 0.2728107), wk = 0.0036496 k( 232) = ( 0.6095377 0.6095377 0.2809246), wk = 0.0036496 k( 233) = ( 0.6054807 0.6054807 0.2890385), wk = 0.0036496 k( 234) = ( 0.6014238 0.6014238 0.2971524), wk = 0.0036496 k( 235) = ( 0.5973668 0.5973668 0.3052663), wk = 0.0036496 k( 236) = ( 0.5933099 0.5933099 0.3133802), wk = 0.0036496 k( 237) = ( 0.5892529 0.5892529 0.3214941), wk = 0.0036496 k( 238) = ( 0.5851960 0.5851960 0.3296080), wk = 0.0036496 k( 239) = ( 0.5811390 0.5811390 0.3377219), wk = 0.0036496 k( 240) = ( 0.5770821 0.5770821 0.3458358), wk = 0.0036496 k( 241) = ( 0.5730251 0.5730251 0.3539497), wk = 0.0036496 k( 242) = ( 0.5689682 0.5689682 0.3620636), wk = 0.0036496 k( 243) = ( 0.5649112 0.5649112 0.3701775), wk = 0.0036496 k( 244) = ( 0.5608543 0.5608543 0.3782915), wk = 0.0036496 k( 245) = ( 0.5567973 0.5567973 0.3864054), wk = 0.0036496 k( 246) = ( 0.5527404 0.5527404 0.3945193), wk = 0.0036496 k( 247) = ( 0.5486834 0.5486834 0.4026332), wk = 0.0036496 k( 248) = ( 0.5446265 0.5446265 0.4107471), wk = 0.0036496 k( 249) = ( 0.5405695 0.5405695 0.4188610), wk = 0.0036496 k( 250) = ( 0.5365126 0.5365126 0.4269749), wk = 0.0036496 k( 251) = ( 0.5324556 0.5324556 0.4350888), wk = 0.0036496 k( 252) = ( 0.5283987 0.5283987 0.4432027), wk = 0.0036496 k( 253) = ( 0.5243417 0.5243417 0.4513166), wk = 0.0036496 k( 254) = ( 0.5202848 0.5202848 0.4594305), wk = 0.0036496 k( 255) = ( 0.5162278 0.5162278 0.4675444), wk = 0.0036496 k( 256) = ( 0.5121709 0.5121709 0.4756583), wk = 0.0036496 k( 257) = ( 0.5081139 0.5081139 0.4837722), wk = 0.0036496 k( 258) = ( 0.5040569 0.5040569 0.4918861), wk = 0.0036496 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 260) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036496 k( 261) = ( 0.5226030 0.0244128 0.0244128), wk = 0.0036496 k( 262) = ( 0.5452060 0.0488256 0.0488255), wk = 0.0036496 k( 263) = ( 0.5678091 0.0732383 0.0732383), wk = 0.0036496 k( 264) = ( 0.5904121 0.0976511 0.0976511), wk = 0.0036496 k( 265) = ( 0.6130151 0.1220639 0.1220639), wk = 0.0036496 k( 266) = ( 0.6356181 0.1464767 0.1464767), wk = 0.0036496 k( 267) = ( 0.6582211 0.1708894 0.1708894), wk = 0.0036496 k( 268) = ( 0.6808241 0.1953022 0.1953022), wk = 0.0036496 k( 269) = ( 0.7034272 0.2197150 0.2197150), wk = 0.0036496 k( 270) = ( 0.7260302 0.2441278 0.2441278), wk = 0.0036496 k( 271) = ( 0.7486332 0.2685405 0.2685405), wk = 0.0036496 k( 272) = ( 0.7712362 0.2929533 0.2929533), wk = 0.0036496 k( 273) = ( 0.7938392 0.3173661 0.3173661), wk = 0.0036496 k( 274) = ( 0.8164422 0.3417789 0.3417789), wk = 0.0036496 Dense grid: 66265 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 38501 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 290, 44) NL pseudopotentials 0.30 Mb ( 145, 136) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1841) G-vector shells 0.01 Mb ( 1556) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 290, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./YTlTe2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.9 secs Computing kpt #: 16 total cpu time spent up to now is 14.6 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.0 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.1 secs Computing kpt #: 22 total cpu time spent up to now is 18.8 secs Computing kpt #: 23 total cpu time spent up to now is 19.5 secs Computing kpt #: 24 total cpu time spent up to now is 20.2 secs Computing kpt #: 25 total cpu time spent up to now is 20.9 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.3 secs Computing kpt #: 28 total cpu time spent up to now is 23.0 secs Computing kpt #: 29 total cpu time spent up to now is 23.8 secs Computing kpt #: 30 total cpu time spent up to now is 24.5 secs Computing kpt #: 31 total cpu time spent up to now is 25.3 secs Computing kpt #: 32 total cpu time spent up to now is 26.1 secs Computing kpt #: 33 total cpu time spent up to now is 26.9 secs Computing kpt #: 34 total cpu time spent up to now is 27.6 secs Computing kpt #: 35 total cpu time spent up to now is 28.3 secs Computing kpt #: 36 total cpu time spent up to now is 29.1 secs Computing kpt #: 37 total cpu time spent up to now is 29.8 secs Computing kpt #: 38 total cpu time spent up to now is 30.5 secs Computing kpt #: 39 total cpu time spent up to now is 31.2 secs Computing kpt #: 40 total cpu time spent up to now is 31.9 secs Computing kpt #: 41 total cpu time spent up to now is 32.6 secs Computing kpt #: 42 total cpu time spent up to now is 33.3 secs Computing kpt #: 43 total cpu time spent up to now is 34.0 secs Computing kpt #: 44 total cpu time spent up to now is 34.8 secs Computing kpt #: 45 total cpu time spent up to now is 35.6 secs Computing kpt #: 46 total cpu time spent up to now is 36.4 secs Computing kpt #: 47 total cpu time spent up to now is 37.2 secs Computing kpt #: 48 total cpu time spent up to now is 37.9 secs Computing kpt #: 49 total cpu time spent up to now is 38.8 secs Computing kpt #: 50 total cpu time spent up to now is 39.5 secs Computing kpt #: 51 total cpu time spent up to now is 40.2 secs Computing kpt #: 52 total cpu time spent up to now is 40.9 secs Computing kpt #: 53 total cpu time spent up to now is 41.6 secs Computing kpt #: 54 total cpu time spent up to now is 42.3 secs Computing kpt #: 55 total cpu time spent up to now is 43.0 secs Computing kpt #: 56 total cpu time spent up to now is 43.7 secs Computing kpt #: 57 total cpu time spent up to now is 44.4 secs Computing kpt #: 58 total cpu time spent up to now is 45.1 secs Computing kpt #: 59 total cpu time spent up to now is 45.7 secs Computing kpt #: 60 total cpu time spent up to now is 46.4 secs Computing kpt #: 61 total cpu time spent up to now is 47.1 secs Computing kpt #: 62 total cpu time spent up to now is 47.8 secs Computing kpt #: 63 total cpu time spent up to now is 48.5 secs Computing kpt #: 64 total cpu time spent up to now is 49.2 secs Computing kpt #: 65 total cpu time spent up to now is 49.9 secs Computing kpt #: 66 total cpu time spent up to now is 50.6 secs Computing kpt #: 67 total cpu time spent up to now is 51.3 secs Computing kpt #: 68 total cpu time spent up to now is 52.0 secs Computing kpt #: 69 total cpu time spent up to now is 52.7 secs Computing kpt #: 70 total cpu time spent up to now is 53.4 secs Computing kpt #: 71 total cpu time spent up to now is 54.1 secs Computing kpt #: 72 total cpu time spent up to now is 54.8 secs Computing kpt #: 73 total cpu time spent up to now is 55.5 secs Computing kpt #: 74 total cpu time spent up to now is 56.2 secs Computing kpt #: 75 total cpu time spent up to now is 57.0 secs Computing kpt #: 76 total cpu time spent up to now is 57.7 secs Computing kpt #: 77 total cpu time spent up to now is 58.4 secs Computing kpt #: 78 total cpu time spent up to now is 59.1 secs Computing kpt #: 79 total cpu time spent up to now is 59.8 secs Computing kpt #: 80 total cpu time spent up to now is 60.5 secs Computing kpt #: 81 total cpu time spent up to now is 61.2 secs Computing kpt #: 82 total cpu time spent up to now is 62.0 secs Computing kpt #: 83 total cpu time spent up to now is 62.7 secs Computing kpt #: 84 total cpu time spent up to now is 63.4 secs Computing kpt #: 85 total cpu time spent up to now is 64.1 secs Computing kpt #: 86 total cpu time spent up to now is 64.8 secs Computing kpt #: 87 total cpu time spent up to now is 65.5 secs Computing kpt #: 88 total cpu time spent up to now is 66.3 secs Computing kpt #: 89 total cpu time spent up to now is 67.1 secs Computing kpt #: 90 total cpu time spent up to now is 67.9 secs Computing kpt #: 91 total cpu time spent up to now is 68.7 secs Computing kpt #: 92 total cpu time spent up to now is 69.5 secs Computing kpt #: 93 total cpu time spent up to now is 70.3 secs Computing kpt #: 94 total cpu time spent up to now is 71.1 secs Computing kpt #: 95 total cpu time spent up to now is 71.9 secs Computing kpt #: 96 total cpu time spent up to now is 72.7 secs Computing kpt #: 97 total cpu time spent up to now is 73.4 secs Computing kpt #: 98 total cpu time spent up to now is 74.1 secs Computing kpt #: 99 total cpu time spent up to now is 74.7 secs Computing kpt #: 100 total cpu time spent up to now is 75.4 secs Computing kpt #: 101 total cpu time spent up to now is 76.1 secs Computing kpt #: 102 total cpu time spent up to now is 76.7 secs Computing kpt #: 103 total cpu time spent up to now is 77.4 secs Computing kpt #: 104 total cpu time spent up to now is 78.1 secs Computing kpt #: 105 total cpu time spent up to now is 78.8 secs Computing kpt #: 106 total cpu time spent up to now is 79.4 secs Computing kpt #: 107 total cpu time spent up to now is 80.1 secs Computing kpt #: 108 total cpu time spent up to now is 80.8 secs Computing kpt #: 109 total cpu time spent up to now is 81.5 secs Computing kpt #: 110 total cpu time spent up to now is 82.1 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.5 secs Computing kpt #: 113 total cpu time spent up to now is 84.1 secs Computing kpt #: 114 total cpu time spent up to now is 84.8 secs Computing kpt #: 115 total cpu time spent up to now is 85.4 secs Computing kpt #: 116 total cpu time spent up to now is 86.1 secs Computing kpt #: 117 total cpu time spent up to now is 86.7 secs Computing kpt #: 118 total cpu time spent up to now is 87.4 secs Computing kpt #: 119 total cpu time spent up to now is 88.1 secs Computing kpt #: 120 total cpu time spent up to now is 88.7 secs Computing kpt #: 121 total cpu time spent up to now is 89.4 secs Computing kpt #: 122 total cpu time spent up to now is 90.0 secs Computing kpt #: 123 total cpu time spent up to now is 90.7 secs Computing kpt #: 124 total cpu time spent up to now is 91.4 secs Computing kpt #: 125 total cpu time spent up to now is 92.0 secs Computing kpt #: 126 total cpu time spent up to now is 92.7 secs Computing kpt #: 127 total cpu time spent up to now is 93.3 secs Computing kpt #: 128 total cpu time spent up to now is 94.0 secs Computing kpt #: 129 total cpu time spent up to now is 94.7 secs Computing kpt #: 130 total cpu time spent up to now is 95.3 secs Computing kpt #: 131 total cpu time spent up to now is 96.0 secs Computing kpt #: 132 total cpu time spent up to now is 96.6 secs Computing kpt #: 133 total cpu time spent up to now is 97.3 secs Computing kpt #: 134 total cpu time spent up to now is 97.9 secs Computing kpt #: 135 total cpu time spent up to now is 98.6 secs Computing kpt #: 136 total cpu time spent up to now is 99.2 secs Computing kpt #: 137 total cpu time spent up to now is 99.8 secs Computing kpt #: 138 total cpu time spent up to now is 100.5 secs Computing kpt #: 139 total cpu time spent up to now is 101.1 secs Computing kpt #: 140 total cpu time spent up to now is 101.7 secs Computing kpt #: 141 total cpu time spent up to now is 102.4 secs Computing kpt #: 142 total cpu time spent up to now is 103.0 secs Computing kpt #: 143 total cpu time spent up to now is 103.7 secs Computing kpt #: 144 total cpu time spent up to now is 104.3 secs Computing kpt #: 145 total cpu time spent up to now is 105.0 secs Computing kpt #: 146 total cpu time spent up to now is 105.7 secs Computing kpt #: 147 total cpu time spent up to now is 106.3 secs Computing kpt #: 148 total cpu time spent up to now is 107.0 secs Computing kpt #: 149 total cpu time spent up to now is 107.7 secs Computing kpt #: 150 total cpu time spent up to now is 108.3 secs Computing kpt #: 151 total cpu time spent up to now is 109.1 secs Computing kpt #: 152 total cpu time spent up to now is 109.8 secs Computing kpt #: 153 total cpu time spent up to now is 110.4 secs Computing kpt #: 154 total cpu time spent up to now is 111.1 secs Computing kpt #: 155 total cpu time spent up to now is 111.8 secs Computing kpt #: 156 total cpu time spent up to now is 112.5 secs Computing kpt #: 157 total cpu time spent up to now is 113.2 secs Computing kpt #: 158 total cpu time spent up to now is 113.9 secs Computing kpt #: 159 total cpu time spent up to now is 114.6 secs Computing kpt #: 160 total cpu time spent up to now is 115.3 secs Computing kpt #: 161 total cpu time spent up to now is 116.0 secs Computing kpt #: 162 total cpu time spent up to now is 116.7 secs Computing kpt #: 163 total cpu time spent up to now is 117.5 secs Computing kpt #: 164 total cpu time spent up to now is 118.3 secs Computing kpt #: 165 total cpu time spent up to now is 119.0 secs Computing kpt #: 166 total cpu time spent up to now is 119.7 secs Computing kpt #: 167 total cpu time spent up to now is 120.4 secs Computing kpt #: 168 total cpu time spent up to now is 121.1 secs Computing kpt #: 169 total cpu time spent up to now is 121.8 secs Computing kpt #: 170 total cpu time spent up to now is 122.4 secs Computing kpt #: 171 total cpu time spent up to now is 123.1 secs Computing kpt #: 172 total cpu time spent up to now is 123.8 secs Computing kpt #: 173 total cpu time spent up to now is 124.4 secs Computing kpt #: 174 total cpu time spent up to now is 125.1 secs Computing kpt #: 175 total cpu time spent up to now is 125.8 secs Computing kpt #: 176 total cpu time spent up to now is 126.5 secs Computing kpt #: 177 total cpu time spent up to now is 127.2 secs Computing kpt #: 178 total cpu time spent up to now is 127.9 secs Computing kpt #: 179 total cpu time spent up to now is 128.6 secs Computing kpt #: 180 total cpu time spent up to now is 129.3 secs Computing kpt #: 181 total cpu time spent up to now is 130.0 secs Computing kpt #: 182 total cpu time spent up to now is 130.7 secs Computing kpt #: 183 total cpu time spent up to now is 131.4 secs Computing kpt #: 184 total cpu time spent up to now is 132.1 secs Computing kpt #: 185 total cpu time spent up to now is 132.8 secs Computing kpt #: 186 total cpu time spent up to now is 133.5 secs Computing kpt #: 187 total cpu time spent up to now is 134.2 secs Computing kpt #: 188 total cpu time spent up to now is 134.9 secs Computing kpt #: 189 total cpu time spent up to now is 135.6 secs Computing kpt #: 190 total cpu time spent up to now is 136.3 secs Computing kpt #: 191 total cpu time spent up to now is 137.0 secs Computing kpt #: 192 total cpu time spent up to now is 137.7 secs Computing kpt #: 193 total cpu time spent up to now is 138.4 secs Computing kpt #: 194 total cpu time spent up to now is 139.1 secs Computing kpt #: 195 total cpu time spent up to now is 139.8 secs Computing kpt #: 196 total cpu time spent up to now is 140.6 secs Computing kpt #: 197 total cpu time spent up to now is 141.3 secs Computing kpt #: 198 total cpu time spent up to now is 142.0 secs Computing kpt #: 199 total cpu time spent up to now is 142.7 secs Computing kpt #: 200 total cpu time spent up to now is 143.4 secs Computing kpt #: 201 total cpu time spent up to now is 144.1 secs Computing kpt #: 202 total cpu time spent up to now is 144.8 secs Computing kpt #: 203 total cpu time spent up to now is 145.6 secs Computing kpt #: 204 total cpu time spent up to now is 146.3 secs Computing kpt #: 205 total cpu time spent up to now is 147.0 secs Computing kpt #: 206 total cpu time spent up to now is 147.7 secs Computing kpt #: 207 total cpu time spent up to now is 148.4 secs Computing kpt #: 208 total cpu time spent up to now is 149.1 secs Computing kpt #: 209 total cpu time spent up to now is 149.8 secs Computing kpt #: 210 total cpu time spent up to now is 150.5 secs Computing kpt #: 211 total cpu time spent up to now is 151.2 secs Computing kpt #: 212 total cpu time spent up to now is 151.9 secs Computing kpt #: 213 total cpu time spent up to now is 152.6 secs Computing kpt #: 214 total cpu time spent up to now is 153.3 secs Computing kpt #: 215 total cpu time spent up to now is 154.0 secs Computing kpt #: 216 total cpu time spent up to now is 154.7 secs Computing kpt #: 217 total cpu time spent up to now is 155.4 secs Computing kpt #: 218 total cpu time spent up to now is 156.1 secs Computing kpt #: 219 total cpu time spent up to now is 156.8 secs Computing kpt #: 220 total cpu time spent up to now is 157.6 secs Computing kpt #: 221 total cpu time spent up to now is 158.3 secs Computing kpt #: 222 total cpu time spent up to now is 159.0 secs Computing kpt #: 223 total cpu time spent up to now is 159.7 secs Computing kpt #: 224 total cpu time spent up to now is 160.4 secs Computing kpt #: 225 total cpu time spent up to now is 161.1 secs Computing kpt #: 226 total cpu time spent up to now is 161.8 secs Computing kpt #: 227 total cpu time spent up to now is 162.6 secs Computing kpt #: 228 total cpu time spent up to now is 163.3 secs Computing kpt #: 229 total cpu time spent up to now is 164.0 secs Computing kpt #: 230 total cpu time spent up to now is 164.7 secs Computing kpt #: 231 total cpu time spent up to now is 165.4 secs Computing kpt #: 232 total cpu time spent up to now is 166.1 secs Computing kpt #: 233 total cpu time spent up to now is 166.8 secs Computing kpt #: 234 total cpu time spent up to now is 167.5 secs Computing kpt #: 235 total cpu time spent up to now is 168.2 secs Computing kpt #: 236 total cpu time spent up to now is 168.9 secs Computing kpt #: 237 total cpu time spent up to now is 169.6 secs Computing kpt #: 238 total cpu time spent up to now is 170.2 secs Computing kpt #: 239 total cpu time spent up to now is 170.9 secs Computing kpt #: 240 total cpu time spent up to now is 171.6 secs Computing kpt #: 241 total cpu time spent up to now is 172.3 secs Computing kpt #: 242 total cpu time spent up to now is 173.0 secs Computing kpt #: 243 total cpu time spent up to now is 173.6 secs Computing kpt #: 244 total cpu time spent up to now is 174.3 secs Computing kpt #: 245 total cpu time spent up to now is 175.0 secs Computing kpt #: 246 total cpu time spent up to now is 175.7 secs Computing kpt #: 247 total cpu time spent up to now is 176.4 secs Computing kpt #: 248 total cpu time spent up to now is 177.0 secs Computing kpt #: 249 total cpu time spent up to now is 177.7 secs Computing kpt #: 250 total cpu time spent up to now is 178.4 secs Computing kpt #: 251 total cpu time spent up to now is 179.1 secs Computing kpt #: 252 total cpu time spent up to now is 179.7 secs Computing kpt #: 253 total cpu time spent up to now is 180.4 secs Computing kpt #: 254 total cpu time spent up to now is 181.1 secs Computing kpt #: 255 total cpu time spent up to now is 181.7 secs Computing kpt #: 256 total cpu time spent up to now is 182.4 secs Computing kpt #: 257 total cpu time spent up to now is 183.1 secs Computing kpt #: 258 total cpu time spent up to now is 183.7 secs Computing kpt #: 259 total cpu time spent up to now is 184.4 secs Computing kpt #: 260 total cpu time spent up to now is 185.1 secs Computing kpt #: 261 total cpu time spent up to now is 185.8 secs Computing kpt #: 262 total cpu time spent up to now is 186.4 secs Computing kpt #: 263 total cpu time spent up to now is 187.2 secs Computing kpt #: 264 total cpu time spent up to now is 187.9 secs Computing kpt #: 265 total cpu time spent up to now is 188.6 secs Computing kpt #: 266 total cpu time spent up to now is 189.3 secs Computing kpt #: 267 total cpu time spent up to now is 190.0 secs Computing kpt #: 268 total cpu time spent up to now is 190.7 secs Computing kpt #: 269 total cpu time spent up to now is 191.4 secs Computing kpt #: 270 total cpu time spent up to now is 192.1 secs Computing kpt #: 271 total cpu time spent up to now is 192.9 secs Computing kpt #: 272 total cpu time spent up to now is 193.6 secs Computing kpt #: 273 total cpu time spent up to now is 194.3 secs Computing kpt #: 274 total cpu time spent up to now is 195.0 secs ethr = 2.78E-08, avg # of iterations = 19.0 total cpu time spent up to now is 195.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4755 -4.4755 -3.6096 -3.6096 -3.5005 -3.5005 -3.4571 -3.4571 -3.4539 -3.4539 0.5094 0.5094 4.2628 4.2628 4.7672 4.7672 4.7901 4.7901 5.0949 5.0949 6.0530 6.0530 6.4652 6.4652 8.4451 8.4451 8.4469 8.4469 8.8554 8.8554 9.4570 9.4570 k = 0.0119-0.0202-0.0123 ( 4777 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4746 -4.4746 -3.6105 -3.6105 -3.5003 -3.5003 -3.4566 -3.4566 -3.4536 -3.4536 0.5105 0.5105 4.2607 4.2607 4.7594 4.7594 4.7848 4.7848 5.1068 5.1068 6.0518 6.0518 6.4611 6.4611 8.4468 8.4468 8.4494 8.4494 8.8591 8.8591 9.4503 9.4503 k = 0.0238-0.0405-0.0245 ( 4782 PWs) bands (ev): -36.2976 -36.2976 -17.2713 -17.2713 -15.8504 -15.8504 -15.8111 -15.8111 -5.6670 -5.6670 -5.6403 -5.6403 -4.4718 -4.4718 -3.6131 -3.6131 -3.4994 -3.4994 -3.4557 -3.4557 -3.4524 -3.4524 0.5139 0.5139 4.2541 4.2541 4.7314 4.7314 4.7784 4.7784 5.1374 5.1374 6.0484 6.0484 6.4492 6.4492 8.4495 8.4495 8.4587 8.4587 8.8703 8.8703 9.4303 9.4303 k = 0.0357-0.0607-0.0368 ( 4788 PWs) bands (ev): -36.2976 -36.2976 -17.2714 -17.2714 -15.8505 -15.8505 -15.8115 -15.8115 -5.6670 -5.6670 -5.6403 -5.6403 -4.4672 -4.4672 -3.6171 -3.6171 -3.4982 -3.4982 -3.4552 -3.4552 -3.4494 -3.4494 0.5195 0.5195 4.2428 4.2428 4.6900 4.6900 4.7732 4.7732 5.1777 5.1777 6.0430 6.0430 6.4299 6.4299 8.4525 8.4525 8.4743 8.4743 8.8895 8.8895 9.3974 9.3974 k = 0.0476-0.0810-0.0491 ( 4790 PWs) bands (ev): -36.2976 -36.2976 -17.2716 -17.2716 -15.8505 -15.8505 -15.8119 -15.8119 -5.6670 -5.6670 -5.6404 -5.6404 -4.4607 -4.4607 -3.6223 -3.6223 -3.4969 -3.4969 -3.4549 -3.4549 -3.4448 -3.4448 0.5273 0.5273 4.2263 4.2263 4.6435 4.6435 4.7675 4.7675 5.2209 5.2209 6.0361 6.0361 6.4044 6.4044 8.4548 8.4548 8.4957 8.4957 8.9170 8.9170 9.3527 9.3527 k = 0.0595-0.1012-0.0613 ( 4789 PWs) bands (ev): -36.2975 -36.2975 -17.2718 -17.2718 -15.8506 -15.8506 -15.8125 -15.8125 -5.6669 -5.6669 -5.6405 -5.6405 -4.4525 -4.4525 -3.6284 -3.6284 -3.4955 -3.4955 -3.4547 -3.4547 -3.4389 -3.4389 0.5372 0.5372 4.2044 4.2044 4.5962 4.5962 4.7606 4.7606 5.2628 5.2628 6.0283 6.0283 6.3736 6.3736 8.4551 8.4551 8.5223 8.5223 8.9529 8.9529 9.2977 9.2977 k = 0.0714-0.1214-0.0736 ( 4791 PWs) bands (ev): -36.2975 -36.2975 -17.2720 -17.2720 -15.8506 -15.8506 -15.8132 -15.8132 -5.6668 -5.6668 -5.6406 -5.6406 -4.4425 -4.4425 -3.6351 -3.6351 -3.4943 -3.4943 -3.4546 -3.4546 -3.4320 -3.4320 0.5492 0.5492 4.1768 4.1768 4.5503 4.5503 4.7526 4.7526 5.3009 5.3009 6.0200 6.0200 6.3389 6.3389 8.4528 8.4528 8.5536 8.5536 8.9965 8.9965 9.2350 9.2350 k = 0.0833-0.1417-0.0858 ( 4794 PWs) bands (ev): -36.2974 -36.2974 -17.2723 -17.2723 -15.8507 -15.8507 -15.8140 -15.8140 -5.6667 -5.6667 -5.6408 -5.6408 -4.4307 -4.4307 -3.6421 -3.6421 -3.4931 -3.4931 -3.4544 -3.4544 -3.4245 -3.4245 0.5632 0.5632 4.1439 4.1439 4.5062 4.5062 4.7438 4.7438 5.3333 5.3333 6.0114 6.0114 6.3015 6.3015 8.4474 8.4474 8.5890 8.5890 9.0458 9.0458 9.1687 9.1687 k = 0.0952-0.1619-0.0981 ( 4800 PWs) bands (ev): -36.2974 -36.2974 -17.2727 -17.2727 -15.8508 -15.8508 -15.8149 -15.8149 -5.6667 -5.6667 -5.6409 -5.6409 -4.4173 -4.4173 -3.6493 -3.6493 -3.4920 -3.4920 -3.4542 -3.4542 -3.4163 -3.4163 0.5791 0.5791 4.1063 4.1063 4.4636 4.4636 4.7345 4.7345 5.3594 5.3594 6.0022 6.0022 6.2627 6.2627 8.4389 8.4389 8.6278 8.6278 9.0764 9.0764 9.1251 9.1251 k = 0.1071-0.1822-0.1104 ( 4808 PWs) bands (ev): -36.2973 -36.2973 -17.2731 -17.2731 -15.8510 -15.8510 -15.8159 -15.8159 -5.6666 -5.6666 -5.6411 -5.6411 -4.4022 -4.4022 -3.6566 -3.6566 -3.4910 -3.4910 -3.4540 -3.4540 -3.4078 -3.4078 0.5968 0.5968 4.0651 4.0651 4.4215 4.4215 4.7250 4.7250 5.3786 5.3786 5.9916 5.9916 6.2239 6.2239 8.4274 8.4274 8.6695 8.6695 9.0204 9.0204 9.1736 9.1736 k = 0.1190-0.2024-0.1226 ( 4817 PWs) bands (ev): -36.2973 -36.2973 -17.2735 -17.2735 -15.8511 -15.8511 -15.8170 -15.8170 -5.6665 -5.6665 -5.6413 -5.6413 -4.3856 -4.3856 -3.6639 -3.6639 -3.4900 -3.4900 -3.4537 -3.4537 -3.3991 -3.3991 0.6162 0.6162 4.0218 4.0218 4.3785 4.3785 4.7157 4.7157 5.3914 5.3914 5.9783 5.9783 6.1860 6.1860 8.4132 8.4132 8.7132 8.7132 8.9568 8.9568 9.2368 9.2368 k = 0.1310-0.2227-0.1349 ( 4819 PWs) bands (ev): -36.2972 -36.2972 -17.2740 -17.2740 -15.8513 -15.8513 -15.8182 -15.8182 -5.6664 -5.6664 -5.6415 -5.6415 -4.3675 -4.3675 -3.6709 -3.6709 -3.4892 -3.4892 -3.4534 -3.4534 -3.3902 -3.3902 0.6372 0.6372 3.9774 3.9774 4.3336 4.3336 4.7071 4.7071 5.3983 5.3983 5.9605 5.9605 6.1503 6.1503 8.3966 8.3966 8.7575 8.7575 8.8995 8.8995 9.3023 9.3023 k = 0.1429-0.2429-0.1472 ( 4810 PWs) bands (ev): -36.2971 -36.2971 -17.2745 -17.2745 -15.8515 -15.8515 -15.8194 -15.8194 -5.6663 -5.6663 -5.6417 -5.6417 -4.3479 -4.3479 -3.6778 -3.6778 -3.4883 -3.4883 -3.4531 -3.4531 -3.3813 -3.3813 0.6596 0.6596 3.9333 3.9333 4.2856 4.2856 4.6994 4.6994 5.4002 5.4002 5.9370 5.9370 6.1170 6.1170 8.3781 8.3781 8.7960 8.7960 8.8570 8.8570 9.3673 9.3673 k = 0.1548-0.2631-0.1594 ( 4814 PWs) bands (ev): -36.2970 -36.2970 -17.2750 -17.2750 -15.8518 -15.8518 -15.8206 -15.8206 -5.6662 -5.6662 -5.6419 -5.6419 -4.3271 -4.3271 -3.6843 -3.6843 -3.4875 -3.4875 -3.4527 -3.4527 -3.3724 -3.3724 0.6832 0.6832 3.8901 3.8901 4.2342 4.2342 4.6928 4.6928 5.3978 5.3978 5.9074 5.9074 6.0861 6.0861 8.3579 8.3579 8.7910 8.7910 8.8677 8.8677 9.4287 9.4287 k = 0.1667-0.2834-0.1717 ( 4807 PWs) bands (ev): -36.2969 -36.2969 -17.2756 -17.2756 -15.8521 -15.8521 -15.8219 -15.8219 -5.6661 -5.6661 -5.6422 -5.6422 -4.3050 -4.3050 -3.6905 -3.6905 -3.4867 -3.4867 -3.4522 -3.4522 -3.3636 -3.3636 0.7080 0.7080 3.8488 3.8488 4.1790 4.1790 4.6872 4.6872 5.3916 5.3916 5.8718 5.8718 6.0568 6.0568 8.3366 8.3366 8.7631 8.7631 8.9108 8.9108 9.4816 9.4816 k = 0.1786-0.3036-0.1840 ( 4816 PWs) bands (ev): -36.2968 -36.2968 -17.2762 -17.2762 -15.8524 -15.8524 -15.8232 -15.8232 -5.6660 -5.6660 -5.6424 -5.6424 -4.2818 -4.2818 -3.6963 -3.6963 -3.4860 -3.4860 -3.4518 -3.4518 -3.3550 -3.3550 0.7336 0.7336 3.8099 3.8099 4.1204 4.1204 4.6827 4.6827 5.3820 5.3820 5.8312 5.8312 6.0285 6.0285 8.3148 8.3148 8.7408 8.7408 8.9571 8.9571 9.5178 9.5178 k = 0.1905-0.3239-0.1962 ( 4814 PWs) bands (ev): -36.2968 -36.2968 -17.2768 -17.2768 -15.8528 -15.8528 -15.8245 -15.8245 -5.6659 -5.6659 -5.6427 -5.6427 -4.2576 -4.2576 -3.7018 -3.7018 -3.4853 -3.4853 -3.4513 -3.4513 -3.3464 -3.3464 0.7600 0.7600 3.7738 3.7738 4.0585 4.0585 4.6790 4.6790 5.3689 5.3689 5.7861 5.7861 6.0012 6.0012 8.2929 8.2929 8.7258 8.7258 9.0032 9.0032 9.5314 9.5314 k = 0.2024-0.3441-0.2085 ( 4818 PWs) bands (ev): -36.2967 -36.2967 -17.2775 -17.2775 -15.8533 -15.8533 -15.8258 -15.8258 -5.6658 -5.6658 -5.6429 -5.6429 -4.2325 -4.2325 -3.7068 -3.7068 -3.4847 -3.4847 -3.4507 -3.4507 -3.3380 -3.3380 0.7869 0.7869 3.7407 3.7407 3.9942 3.9942 4.6759 4.6759 5.3521 5.3521 5.7373 5.7373 5.9756 5.9756 8.2713 8.2713 8.7176 8.7176 9.0480 9.0480 9.5278 9.5278 k = 0.2143-0.3643-0.2208 ( 4827 PWs) bands (ev): -36.2966 -36.2966 -17.2781 -17.2781 -15.8539 -15.8539 -15.8271 -15.8271 -5.6657 -5.6657 -5.6432 -5.6432 -4.2067 -4.2067 -3.7113 -3.7113 -3.4841 -3.4841 -3.4501 -3.4501 -3.3298 -3.3298 0.8142 0.8142 3.7106 3.7106 3.9281 3.9281 4.6733 4.6733 5.3308 5.3308 5.6856 5.6856 5.9525 5.9525 8.2500 8.2500 8.7147 8.7147 9.0910 9.0910 9.5167 9.5167 k = 0.2262-0.3846-0.2330 ( 4824 PWs) bands (ev): -36.2965 -36.2965 -17.2788 -17.2788 -15.8545 -15.8545 -15.8283 -15.8283 -5.6657 -5.6657 -5.6434 -5.6434 -4.1803 -4.1803 -3.7154 -3.7154 -3.4835 -3.4835 -3.4495 -3.4495 -3.3218 -3.3218 0.8416 0.8416 3.6831 3.6831 3.8616 3.8616 4.6708 4.6708 5.3043 5.3043 5.6325 5.6325 5.9327 5.9327 8.2292 8.2292 8.7155 8.7155 9.1316 9.1316 9.5041 9.5041 k = 0.2381-0.4048-0.2453 ( 4823 PWs) bands (ev): -36.2963 -36.2963 -17.2794 -17.2794 -15.8553 -15.8553 -15.8294 -15.8294 -5.6656 -5.6656 -5.6436 -5.6436 -4.1535 -4.1535 -3.7191 -3.7191 -3.4830 -3.4830 -3.4488 -3.4488 -3.3139 -3.3139 0.8691 0.8691 3.6569 3.6569 3.7967 3.7967 4.6682 4.6682 5.2713 5.2713 5.5799 5.5799 5.9167 5.9167 8.2089 8.2089 8.7185 8.7185 9.1695 9.1695 9.4927 9.4927 k = 0.2500-0.4251-0.2575 ( 4819 PWs) bands (ev): -36.2962 -36.2962 -17.2801 -17.2801 -15.8561 -15.8561 -15.8304 -15.8304 -5.6656 -5.6656 -5.6439 -5.6439 -4.1265 -4.1265 -3.7222 -3.7222 -3.4825 -3.4825 -3.4481 -3.4481 -3.3062 -3.3062 0.8963 0.8963 3.6276 3.6276 3.7382 3.7382 4.6651 4.6651 5.2309 5.2309 5.5301 5.5301 5.9047 5.9047 8.1889 8.1889 8.7222 8.7222 9.2044 9.2044 9.4839 9.4839 k = 0.2619-0.4453-0.2698 ( 4819 PWs) bands (ev): -36.2961 -36.2961 -17.2808 -17.2808 -15.8570 -15.8570 -15.8314 -15.8314 -5.6656 -5.6656 -5.6441 -5.6441 -4.0994 -4.0994 -3.7248 -3.7248 -3.4821 -3.4821 -3.4474 -3.4474 -3.2986 -3.2986 0.9231 0.9231 3.5872 3.5872 3.6949 3.6949 4.6613 4.6613 5.1827 5.1827 5.4850 5.4850 5.8965 5.8965 8.1691 8.1691 8.7251 8.7251 9.2361 9.2361 9.4781 9.4781 k = 0.2738-0.4655-0.2821 ( 4821 PWs) bands (ev): -36.2960 -36.2960 -17.2815 -17.2815 -15.8579 -15.8579 -15.8322 -15.8322 -5.6656 -5.6656 -5.6443 -5.6443 -4.0725 -4.0725 -3.7270 -3.7270 -3.4818 -3.4818 -3.4468 -3.4468 -3.2911 -3.2911 0.9494 0.9494 3.5319 3.5319 3.6711 3.6711 4.6564 4.6564 5.1273 5.1273 5.4454 5.4454 5.8919 5.8919 8.1495 8.1495 8.7262 8.7262 9.2648 9.2648 9.4755 9.4755 k = 0.2857-0.4858-0.2943 ( 4814 PWs) bands (ev): -36.2959 -36.2959 -17.2822 -17.2822 -15.8590 -15.8590 -15.8330 -15.8330 -5.6656 -5.6656 -5.6444 -5.6444 -4.0458 -4.0458 -3.7286 -3.7286 -3.4815 -3.4815 -3.4461 -3.4461 -3.2836 -3.2836 0.9751 0.9751 3.4682 3.4682 3.6605 3.6605 4.6498 4.6498 5.0667 5.0667 5.4113 5.4113 5.8904 5.8904 8.1299 8.1299 8.7248 8.7248 9.2904 9.2904 9.4757 9.4757 k = 0.2976-0.5060-0.3066 ( 4813 PWs) bands (ev): -36.2958 -36.2958 -17.2828 -17.2828 -15.8601 -15.8601 -15.8337 -15.8337 -5.6656 -5.6656 -5.6446 -5.6446 -4.0197 -4.0197 -3.7298 -3.7298 -3.4812 -3.4812 -3.4454 -3.4454 -3.2763 -3.2763 0.9999 0.9999 3.4017 3.4017 3.6581 3.6581 4.6407 4.6407 5.0035 5.0035 5.3821 5.3821 5.8916 5.8916 8.1105 8.1105 8.7203 8.7203 9.3132 9.3132 9.4782 9.4782 k = 0.3095-0.5263-0.3189 ( 4819 PWs) bands (ev): -36.2957 -36.2957 -17.2835 -17.2835 -15.8612 -15.8612 -15.8343 -15.8343 -5.6656 -5.6656 -5.6447 -5.6447 -3.9943 -3.9943 -3.7304 -3.7304 -3.4810 -3.4810 -3.4448 -3.4448 -3.2690 -3.2690 1.0238 1.0238 3.3347 3.3347 3.6614 3.6614 4.6281 4.6281 4.9406 4.9406 5.3568 5.3568 5.8951 5.8951 8.0911 8.0911 8.7126 8.7126 9.3332 9.3332 9.4825 9.4825 k = 0.3214-0.5465-0.3311 ( 4815 PWs) bands (ev): -36.2956 -36.2956 -17.2841 -17.2841 -15.8624 -15.8624 -15.8348 -15.8348 -5.6657 -5.6657 -5.6449 -5.6449 -3.9699 -3.9699 -3.7305 -3.7305 -3.4808 -3.4808 -3.4443 -3.4443 -3.2617 -3.2617 1.0467 1.0467 3.2687 3.2687 3.6694 3.6694 4.6104 4.6104 4.8815 4.8815 5.3349 5.3349 5.9003 5.9003 8.0717 8.0717 8.7016 8.7016 9.3500 9.3500 9.4880 9.4880 k = 0.3333-0.5668-0.3434 ( 4803 PWs) bands (ev): -36.2955 -36.2955 -17.2847 -17.2847 -15.8635 -15.8635 -15.8352 -15.8352 -5.6657 -5.6657 -5.6450 -5.6450 -3.9467 -3.9467 -3.7300 -3.7300 -3.4807 -3.4807 -3.4437 -3.4437 -3.2544 -3.2544 1.0686 1.0686 3.2043 3.2043 3.6814 3.6814 4.5855 4.5855 4.8294 4.8294 5.3158 5.3158 5.9069 5.9069 8.0525 8.0525 8.6876 8.6876 9.3631 9.3631 9.4939 9.4939 k = 0.3452-0.5870-0.3557 ( 4803 PWs) bands (ev): -36.2954 -36.2954 -17.2853 -17.2853 -15.8647 -15.8647 -15.8356 -15.8356 -5.6657 -5.6657 -5.6451 -5.6451 -3.9249 -3.9249 -3.7291 -3.7291 -3.4806 -3.4806 -3.4433 -3.4433 -3.2472 -3.2472 1.0892 1.0892 3.1421 3.1421 3.6967 3.6967 4.5518 4.5518 4.7870 4.7870 5.2991 5.2991 5.9146 5.9146 8.0333 8.0333 8.6707 8.6707 9.3717 9.3717 9.4987 9.4987 k = 0.3571-0.6072-0.3679 ( 4808 PWs) bands (ev): -36.2954 -36.2954 -17.2858 -17.2858 -15.8658 -15.8658 -15.8359 -15.8359 -5.6658 -5.6658 -5.6452 -5.6452 -3.9046 -3.9046 -3.7275 -3.7275 -3.4805 -3.4805 -3.4429 -3.4429 -3.2400 -3.2400 1.1087 1.1087 3.0826 3.0826 3.7150 3.7150 4.5097 4.5097 4.7549 4.7549 5.2847 5.2847 5.9230 5.9230 8.0144 8.0144 8.6512 8.6512 9.3744 9.3744 9.4990 9.4990 k = 0.3690-0.6275-0.3802 ( 4808 PWs) bands (ev): -36.2953 -36.2953 -17.2864 -17.2864 -15.8669 -15.8669 -15.8362 -15.8362 -5.6659 -5.6659 -5.6453 -5.6453 -3.8861 -3.8861 -3.7254 -3.7254 -3.4805 -3.4805 -3.4426 -3.4426 -3.2329 -3.2329 1.1269 1.1269 3.0261 3.0261 3.7357 3.7357 4.4617 4.4617 4.7314 4.7314 5.2723 5.2723 5.9317 5.9317 7.9958 7.9958 8.6295 8.6295 9.3690 9.3690 9.4897 9.4897 k = 0.3810-0.6477-0.3925 ( 4813 PWs) bands (ev): -36.2952 -36.2952 -17.2869 -17.2869 -15.8680 -15.8680 -15.8364 -15.8364 -5.6659 -5.6659 -5.6453 -5.6453 -3.8695 -3.8695 -3.7227 -3.7227 -3.4805 -3.4805 -3.4424 -3.4424 -3.2260 -3.2260 1.1438 1.1438 2.9731 2.9731 3.7583 3.7583 4.4110 4.4110 4.7138 4.7138 5.2617 5.2617 5.9406 5.9406 7.9776 7.9776 8.6058 8.6058 9.3517 9.3517 9.4718 9.4718 k = 0.3929-0.6680-0.4047 ( 4820 PWs) bands (ev): -36.2951 -36.2951 -17.2873 -17.2873 -15.8690 -15.8690 -15.8366 -15.8366 -5.6660 -5.6660 -5.6454 -5.6454 -3.8550 -3.8550 -3.7195 -3.7195 -3.4806 -3.4806 -3.4422 -3.4422 -3.2192 -3.2192 1.1593 1.1593 2.9238 2.9238 3.7822 3.7822 4.3600 4.3600 4.7003 4.7003 5.2528 5.2528 5.9494 5.9494 7.9599 7.9599 8.5807 8.5807 9.3209 9.3209 9.4554 9.4554 k = 0.4048-0.6882-0.4170 ( 4822 PWs) bands (ev): -36.2951 -36.2951 -17.2877 -17.2877 -15.8699 -15.8699 -15.8367 -15.8367 -5.6660 -5.6660 -5.6454 -5.6454 -3.8424 -3.8424 -3.7159 -3.7159 -3.4806 -3.4806 -3.4421 -3.4421 -3.2128 -3.2128 1.1735 1.1735 2.8786 2.8786 3.8071 3.8071 4.3106 4.3106 4.6894 4.6894 5.2453 5.2453 5.9578 5.9578 7.9430 7.9430 8.5549 8.5549 9.2817 9.2817 9.4449 9.4449 k = 0.4167-0.7084-0.4292 ( 4819 PWs) bands (ev): -36.2950 -36.2950 -17.2881 -17.2881 -15.8707 -15.8707 -15.8368 -15.8368 -5.6661 -5.6661 -5.6454 -5.6454 -3.8319 -3.8319 -3.7120 -3.7120 -3.4807 -3.4807 -3.4421 -3.4421 -3.2067 -3.2067 1.1862 1.1862 2.8379 2.8379 3.8324 3.8324 4.2638 4.2638 4.6803 4.6803 5.2392 5.2392 5.9658 5.9658 7.9271 7.9271 8.5289 8.5289 9.2411 9.2411 9.4385 9.4385 k = 0.4286-0.7287-0.4415 ( 4821 PWs) bands (ev): -36.2950 -36.2950 -17.2884 -17.2884 -15.8715 -15.8715 -15.8369 -15.8369 -5.6662 -5.6662 -5.6455 -5.6455 -3.8232 -3.8232 -3.7081 -3.7081 -3.4807 -3.4807 -3.4421 -3.4421 -3.2011 -3.2011 1.1974 1.1974 2.8019 2.8019 3.8578 3.8578 4.2202 4.2202 4.6728 4.6728 5.2342 5.2342 5.9730 5.9730 7.9123 7.9123 8.5038 8.5038 9.2035 9.2035 9.4343 9.4343 k = 0.4405-0.7489-0.4538 ( 4819 PWs) bands (ev): -36.2949 -36.2949 -17.2887 -17.2887 -15.8721 -15.8721 -15.8370 -15.8370 -5.6662 -5.6662 -5.6455 -5.6455 -3.8163 -3.8163 -3.7042 -3.7042 -3.4808 -3.4808 -3.4421 -3.4421 -3.1962 -3.1962 1.2070 1.2070 2.7708 2.7708 3.8828 3.8828 4.1801 4.1801 4.6665 4.6665 5.2302 5.2302 5.9794 5.9794 7.8991 7.8991 8.4805 8.4805 9.1709 9.1709 9.4312 9.4312 k = 0.4524-0.7692-0.4660 ( 4815 PWs) bands (ev): -36.2949 -36.2949 -17.2889 -17.2889 -15.8726 -15.8726 -15.8371 -15.8371 -5.6662 -5.6662 -5.6455 -5.6455 -3.8110 -3.8110 -3.7006 -3.7006 -3.4809 -3.4809 -3.4421 -3.4421 -3.1919 -3.1919 1.2150 1.2150 2.7451 2.7451 3.9072 3.9072 4.1439 4.1439 4.6615 4.6615 5.2272 5.2272 5.9848 5.9848 7.8877 7.8877 8.4599 8.4599 9.1441 9.1441 9.4289 9.4289 k = 0.4643-0.7894-0.4783 ( 4815 PWs) bands (ev): -36.2949 -36.2949 -17.2891 -17.2891 -15.8731 -15.8731 -15.8371 -15.8371 -5.6663 -5.6663 -5.6455 -5.6455 -3.8070 -3.8070 -3.6977 -3.6977 -3.4810 -3.4810 -3.4422 -3.4422 -3.1885 -3.1885 1.2212 1.2212 2.7248 2.7248 3.9306 3.9306 4.1114 4.1114 4.6575 4.6575 5.2249 5.2249 5.9891 5.9891 7.8783 7.8783 8.4430 8.4430 9.1234 9.1234 9.4272 9.4272 k = 0.4762-0.8097-0.4906 ( 4816 PWs) bands (ev): -36.2949 -36.2949 -17.2892 -17.2892 -15.8734 -15.8734 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8043 -3.8043 -3.6954 -3.6954 -3.4810 -3.4810 -3.4422 -3.4422 -3.1860 -3.1860 1.2258 1.2258 2.7102 2.7102 3.9524 3.9524 4.0834 4.0834 4.6547 4.6547 5.2234 5.2234 5.9922 5.9922 7.8714 7.8714 8.4303 8.4303 9.1088 9.1088 9.4260 9.4260 k = 0.4881-0.8299-0.5028 ( 4818 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8028 -3.8028 -3.6940 -3.6940 -3.4811 -3.4811 -3.4422 -3.4422 -3.1845 -3.1845 1.2285 1.2285 2.7013 2.7013 3.9706 3.9706 4.0616 4.0616 4.6530 4.6530 5.2225 5.2225 5.9941 5.9941 7.8672 7.8672 8.4225 8.4225 9.1001 9.1001 9.4253 9.4253 k = 0.5000-0.8501-0.5151 ( 4812 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8022 -3.8022 -3.6935 -3.6935 -3.4811 -3.4811 -3.4422 -3.4422 -3.1840 -3.1840 1.2294 1.2294 2.6984 2.6984 3.9787 3.9787 4.0523 4.0523 4.6524 4.6524 5.2222 5.2222 5.9948 5.9948 7.8657 7.8657 8.4199 8.4199 9.0972 9.0972 9.4251 9.4251 k = 0.5000-0.8501-0.5151 ( 4812 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8022 -3.8022 -3.6935 -3.6935 -3.4811 -3.4811 -3.4422 -3.4422 -3.1840 -3.1840 1.2294 1.2294 2.6984 2.6984 3.9787 3.9787 4.0523 4.0523 4.6524 4.6524 5.2222 5.2222 5.9948 5.9948 7.8657 7.8657 8.4199 8.4199 9.0972 9.0972 9.4251 9.4251 k = 0.5000-0.8362-0.5381 ( 4818 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8021 -3.8021 -3.6936 -3.6936 -3.4806 -3.4806 -3.4421 -3.4421 -3.1842 -3.1842 1.2296 1.2296 2.7000 2.7000 3.9790 3.9790 4.0524 4.0524 4.6523 4.6523 5.2164 5.2164 5.9897 5.9897 7.8708 7.8708 8.4217 8.4217 9.1000 9.1000 9.4277 9.4277 k = 0.5000-0.8223-0.5611 ( 4822 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8735 -15.8735 -15.8374 -15.8374 -5.6662 -5.6662 -5.6456 -5.6456 -3.8017 -3.8017 -3.6938 -3.6938 -3.4794 -3.4794 -3.4416 -3.4416 -3.1847 -3.1847 1.2299 1.2299 2.7047 2.7047 3.9798 3.9798 4.0527 4.0527 4.6521 4.6521 5.1994 5.1994 5.9749 5.9749 7.8855 7.8855 8.4272 8.4272 9.1085 9.1085 9.4354 9.4354 k = 0.5000-0.8084-0.5840 ( 4826 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8733 -15.8733 -15.8377 -15.8377 -5.6662 -5.6662 -5.6457 -5.6457 -3.8011 -3.8011 -3.6941 -3.6941 -3.4775 -3.4775 -3.4407 -3.4407 -3.1855 -3.1855 1.2305 1.2305 2.7125 2.7125 3.9811 3.9811 4.0532 4.0532 4.6516 4.6516 5.1718 5.1718 5.9509 5.9509 7.9090 7.9090 8.4358 8.4358 9.1226 9.1226 9.4480 9.4480 k = 0.5000-0.7944-0.6070 ( 4820 PWs) bands (ev): -36.2948 -36.2948 -17.2895 -17.2895 -15.8731 -15.8731 -15.8381 -15.8381 -5.6660 -5.6660 -5.6458 -5.6458 -3.8002 -3.8002 -3.6946 -3.6946 -3.4749 -3.4749 -3.4392 -3.4392 -3.1867 -3.1867 1.2313 1.2313 2.7234 2.7234 3.9825 3.9825 4.0540 4.0540 4.6509 4.6509 5.1350 5.1350 5.9187 5.9187 7.9396 7.9396 8.4471 8.4471 9.1422 9.1422 9.4654 9.4654 k = 0.5000-0.7805-0.6300 ( 4824 PWs) bands (ev): -36.2948 -36.2948 -17.2895 -17.2895 -15.8729 -15.8729 -15.8386 -15.8386 -5.6659 -5.6659 -5.6459 -5.6459 -3.7990 -3.7990 -3.6952 -3.6952 -3.4720 -3.4720 -3.4371 -3.4371 -3.1881 -3.1881 1.2323 1.2323 2.7373 2.7373 3.9838 3.9838 4.0549 4.0549 4.6499 4.6499 5.0906 5.0906 5.8794 5.8794 7.9758 7.9758 8.4602 8.4602 9.1666 9.1666 9.4868 9.4868 k = 0.5000-0.7666-0.6530 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2896 -17.2896 -15.8726 -15.8726 -15.8392 -15.8392 -5.6657 -5.6657 -5.6461 -5.6461 -3.7976 -3.7976 -3.6959 -3.6959 -3.4690 -3.4690 -3.4341 -3.4341 -3.1899 -3.1899 1.2335 1.2335 2.7543 2.7543 3.9845 3.9845 4.0561 4.0561 4.6482 4.6482 5.0405 5.0405 5.8342 5.8342 8.0157 8.0157 8.4742 8.4742 9.1951 9.1951 9.5110 9.5110 k = 0.5000-0.7527-0.6760 ( 4836 PWs) bands (ev): -36.2948 -36.2948 -17.2897 -17.2897 -15.8722 -15.8722 -15.8399 -15.8399 -5.6655 -5.6655 -5.6463 -5.6463 -3.7960 -3.7960 -3.6967 -3.6967 -3.4661 -3.4661 -3.4300 -3.4300 -3.1921 -3.1921 1.2349 1.2349 2.7743 2.7743 3.9839 3.9839 4.0575 4.0575 4.6458 4.6458 4.9871 4.9871 5.7842 5.7842 8.0578 8.0578 8.4883 8.4883 9.2258 9.2258 9.5349 9.5349 k = 0.5000-0.7387-0.6990 ( 4826 PWs) bands (ev): -36.2948 -36.2948 -17.2898 -17.2898 -15.8718 -15.8718 -15.8406 -15.8406 -5.6653 -5.6653 -5.6465 -5.6465 -3.7941 -3.7941 -3.6977 -3.6977 -3.4636 -3.4636 -3.4246 -3.4246 -3.1945 -3.1945 1.2365 1.2365 2.7971 2.7971 3.9812 3.9812 4.0592 4.0592 4.6420 4.6420 4.9329 4.9329 5.7308 5.7308 8.1008 8.1008 8.5018 8.5018 9.2562 9.2562 9.5528 9.5528 k = 0.5000-0.7248-0.7220 ( 4830 PWs) bands (ev): -36.2947 -36.2947 -17.2899 -17.2899 -15.8713 -15.8713 -15.8415 -15.8415 -5.6651 -5.6651 -5.6468 -5.6468 -3.7920 -3.7920 -3.6987 -3.6987 -3.4616 -3.4616 -3.4179 -3.4179 -3.1973 -3.1973 1.2382 1.2382 2.8228 2.8228 3.9753 3.9753 4.0611 4.0611 4.6363 4.6363 4.8808 4.8808 5.6751 5.6751 8.1434 8.1434 8.5142 8.5142 9.2825 9.2825 9.5595 9.5595 k = 0.5000-0.7109-0.7449 ( 4836 PWs) bands (ev): -36.2947 -36.2947 -17.2900 -17.2900 -15.8708 -15.8708 -15.8424 -15.8424 -5.6648 -5.6648 -5.6470 -5.6470 -3.7897 -3.7897 -3.6999 -3.6999 -3.4600 -3.4600 -3.4100 -3.4100 -3.2004 -3.2004 1.2400 1.2400 2.8512 2.8512 3.9651 3.9651 4.0632 4.0632 4.6278 4.6278 4.8339 4.8339 5.6180 5.6180 8.1845 8.1845 8.5253 8.5253 9.3007 9.3007 9.5577 9.5577 k = 0.5000-0.6969-0.7679 ( 4838 PWs) bands (ev): -36.2947 -36.2947 -17.2902 -17.2902 -15.8702 -15.8702 -15.8434 -15.8434 -5.6645 -5.6645 -5.6473 -5.6473 -3.7873 -3.7873 -3.7012 -3.7012 -3.4588 -3.4588 -3.4012 -3.4012 -3.2038 -3.2038 1.2419 1.2419 2.8823 2.8823 3.9493 3.9493 4.0655 4.0655 4.6156 4.6156 4.7953 4.7953 5.5608 5.5608 8.2228 8.2228 8.5358 8.5358 9.3072 9.3072 9.5528 9.5528 k = 0.5000-0.6830-0.7909 ( 4836 PWs) bands (ev): -36.2947 -36.2947 -17.2903 -17.2903 -15.8696 -15.8696 -15.8444 -15.8444 -5.6642 -5.6642 -5.6476 -5.6476 -3.7846 -3.7846 -3.7026 -3.7026 -3.4579 -3.4579 -3.3915 -3.3915 -3.2076 -3.2076 1.2439 1.2439 2.9159 2.9159 3.9269 3.9269 4.0677 4.0677 4.6003 4.6003 4.7663 4.7663 5.5045 5.5045 8.2566 8.2566 8.5466 8.5466 9.3013 9.3013 9.5458 9.5458 k = 0.5000-0.6691-0.8139 ( 4838 PWs) bands (ev): -36.2947 -36.2947 -17.2904 -17.2904 -15.8690 -15.8690 -15.8454 -15.8454 -5.6640 -5.6640 -5.6479 -5.6479 -3.7818 -3.7818 -3.7042 -3.7042 -3.4572 -3.4572 -3.3812 -3.3812 -3.2116 -3.2116 1.2458 1.2458 2.9519 2.9519 3.8971 3.8971 4.0698 4.0698 4.5839 4.5839 4.7464 4.7464 5.4499 5.4499 8.2839 8.2839 8.5597 8.5597 9.2847 9.2847 9.5354 9.5354 k = 0.5000-0.6552-0.8369 ( 4842 PWs) bands (ev): -36.2946 -36.2946 -17.2906 -17.2906 -15.8684 -15.8684 -15.8465 -15.8465 -5.6637 -5.6637 -5.6482 -5.6482 -3.7789 -3.7789 -3.7058 -3.7058 -3.4566 -3.4566 -3.3704 -3.3704 -3.2159 -3.2159 1.2477 1.2477 2.9902 2.9902 3.8599 3.8599 4.0716 4.0716 4.5695 4.5695 4.7330 4.7330 5.3983 5.3983 8.3024 8.3024 8.5771 8.5771 9.2602 9.2602 9.5213 9.5213 k = 0.5000-0.6412-0.8599 ( 4844 PWs) bands (ev): -36.2946 -36.2946 -17.2907 -17.2907 -15.8677 -15.8677 -15.8476 -15.8476 -5.6634 -5.6634 -5.6485 -5.6485 -3.7759 -3.7759 -3.7075 -3.7075 -3.4562 -3.4562 -3.3593 -3.3593 -3.2205 -3.2205 1.2495 1.2495 3.0306 3.0306 3.8160 3.8160 4.0730 4.0730 4.5592 4.5592 4.7237 4.7237 5.3504 5.3504 8.3103 8.3103 8.6003 8.6003 9.2303 9.2303 9.5045 9.5045 k = 0.5000-0.6273-0.8828 ( 4840 PWs) bands (ev): -36.2946 -36.2946 -17.2908 -17.2908 -15.8670 -15.8670 -15.8487 -15.8487 -5.6631 -5.6631 -5.6487 -5.6487 -3.7728 -3.7728 -3.7093 -3.7093 -3.4558 -3.4558 -3.3480 -3.3480 -3.2254 -3.2254 1.2511 1.2511 3.0728 3.0728 3.7665 3.7665 4.0738 4.0738 4.5540 4.5540 4.7166 4.7166 5.3073 5.3073 8.3078 8.3078 8.6293 8.6293 9.1971 9.1971 9.4865 9.4865 k = 0.5000-0.6134-0.9058 ( 4834 PWs) bands (ev): -36.2946 -36.2946 -17.2909 -17.2909 -15.8663 -15.8663 -15.8497 -15.8497 -5.6629 -5.6629 -5.6490 -5.6490 -3.7697 -3.7697 -3.7112 -3.7112 -3.4555 -3.4555 -3.3368 -3.3368 -3.2306 -3.2306 1.2524 1.2524 3.1167 3.1167 3.7132 3.7132 4.0740 4.0740 4.5537 4.5537 4.7106 4.7106 5.2696 5.2696 8.2962 8.2962 8.6623 8.6623 9.1623 9.1623 9.4685 9.4685 k = 0.5000-0.5995-0.9288 ( 4846 PWs) bands (ev): -36.2946 -36.2946 -17.2910 -17.2910 -15.8657 -15.8657 -15.8507 -15.8507 -5.6627 -5.6627 -5.6493 -5.6493 -3.7667 -3.7667 -3.7132 -3.7132 -3.4553 -3.4553 -3.3257 -3.3257 -3.2360 -3.2360 1.2534 1.2534 3.1618 3.1618 3.6580 3.6580 4.0736 4.0736 4.5574 4.5574 4.7052 4.7052 5.2378 5.2378 8.2773 8.2773 8.6968 8.6968 9.1283 9.1283 9.4515 9.4515 k = 0.5000-0.5855-0.9518 ( 4848 PWs) bands (ev): -36.2945 -36.2945 -17.2911 -17.2911 -15.8651 -15.8651 -15.8516 -15.8516 -5.6625 -5.6625 -5.6495 -5.6495 -3.7637 -3.7637 -3.7151 -3.7151 -3.4551 -3.4551 -3.3149 -3.3149 -3.2417 -3.2417 1.2540 1.2540 3.2074 3.2074 3.6027 3.6027 4.0725 4.0725 4.5640 4.5640 4.7003 4.7003 5.2124 5.2124 8.2531 8.2531 8.7291 8.7291 9.0980 9.0980 9.4356 9.4356 k = 0.5000-0.5716-0.9748 ( 4844 PWs) bands (ev): -36.2945 -36.2945 -17.2912 -17.2912 -15.8646 -15.8646 -15.8524 -15.8524 -5.6623 -5.6623 -5.6497 -5.6497 -3.7610 -3.7610 -3.7170 -3.7170 -3.4549 -3.4549 -3.3046 -3.3046 -3.2476 -3.2476 1.2541 1.2541 3.2525 3.2525 3.5497 3.5497 4.0707 4.0707 4.5722 4.5722 4.6964 4.6964 5.1933 5.1933 8.2253 8.2253 8.7544 8.7544 9.0761 9.0761 9.4211 9.4211 k = 0.5000-0.5577-0.9978 ( 4848 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8641 -15.8641 -15.8531 -15.8531 -5.6622 -5.6622 -5.6498 -5.6498 -3.7586 -3.7586 -3.7187 -3.7187 -3.4548 -3.4548 -3.2949 -3.2949 -3.2536 -3.2536 1.2536 1.2536 3.2937 3.2937 3.5030 3.5030 4.0684 4.0684 4.5807 4.5807 4.6942 4.6942 5.1802 5.1802 8.1953 8.1953 8.7667 8.7667 9.0681 9.0681 9.4076 9.4076 k = 0.5000-0.5438-1.0207 ( 4850 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8638 -15.8638 -15.8535 -15.8535 -5.6621 -5.6621 -5.6499 -5.6499 -3.7568 -3.7568 -3.7201 -3.7201 -3.4547 -3.4547 -3.2860 -3.2860 -3.2597 -3.2597 1.2524 1.2524 3.3220 3.3220 3.4726 3.4726 4.0657 4.0657 4.5885 4.5885 4.6947 4.6947 5.1725 5.1725 8.1645 8.1645 8.7627 8.7627 9.0774 9.0774 9.3949 9.3949 k = 0.5000-0.5298-1.0437 ( 4850 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8636 -15.8636 -15.8538 -15.8538 -5.6620 -5.6620 -5.6500 -5.6500 -3.7559 -3.7559 -3.7209 -3.7209 -3.4547 -3.4547 -3.2788 -3.2788 -3.2652 -3.2652 1.2504 1.2504 3.3207 3.3207 3.4754 3.4754 4.0630 4.0630 4.5948 4.5948 4.6983 4.6983 5.1697 5.1697 8.1341 8.1341 8.7444 8.7444 9.1017 9.1017 9.3826 9.3826 k = 0.5000-0.5159-1.0667 ( 4862 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8636 -15.8636 -15.8538 -15.8538 -5.6621 -5.6621 -5.6500 -5.6500 -3.7559 -3.7559 -3.7211 -3.7211 -3.4547 -3.4547 -3.2774 -3.2774 -3.2661 -3.2661 1.2476 1.2476 3.2937 3.2937 3.5081 3.5081 4.0606 4.0606 4.5996 4.5996 4.7050 4.7050 5.1711 5.1711 8.1051 8.1051 8.7171 8.7171 9.1347 9.1347 9.3711 9.3711 k = 0.5000-0.5020-1.0897 ( 4858 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8637 -15.8637 -15.8536 -15.8536 -5.6621 -5.6621 -5.6500 -5.6500 -3.7571 -3.7571 -3.7204 -3.7204 -3.4548 -3.4548 -3.2826 -3.2826 -3.2615 -3.2615 1.2438 1.2438 3.2590 3.2590 3.5529 3.5529 4.0589 4.0589 4.6033 4.6033 4.7140 4.7140 5.1759 5.1759 8.0784 8.0784 8.6856 8.6856 9.1694 9.1694 9.3621 9.3621 k = 0.5000-0.4881-1.1127 ( 4860 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8639 -15.8639 -15.8532 -15.8532 -5.6622 -5.6622 -5.6499 -5.6499 -3.7594 -3.7594 -3.7191 -3.7191 -3.4549 -3.4549 -3.2894 -3.2894 -3.2567 -3.2567 1.2391 1.2391 3.2245 3.2245 3.6019 3.6019 4.0586 4.0586 4.6067 4.6067 4.7242 4.7242 5.1835 5.1835 8.0550 8.0550 8.6532 8.6532 9.1971 9.1971 9.3600 9.3600 k = 0.8164-0.4019-0.9477 ( 4860 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8639 -15.8639 -15.8532 -15.8532 -5.6622 -5.6622 -5.6499 -5.6499 -3.7594 -3.7594 -3.7191 -3.7191 -3.4549 -3.4549 -3.2894 -3.2894 -3.2567 -3.2567 1.2391 1.2391 3.2245 3.2245 3.6019 3.6019 4.0586 4.0586 4.6067 4.6067 4.7242 4.7242 5.1835 5.1835 8.0550 8.0550 8.6532 8.6532 9.1971 9.1971 9.3600 9.3600 k = 0.8094-0.3899-0.9248 ( 4850 PWs) bands (ev): -36.2945 -36.2945 -17.2912 -17.2912 -15.8642 -15.8642 -15.8527 -15.8527 -5.6623 -5.6623 -5.6498 -5.6498 -3.7627 -3.7627 -3.7172 -3.7172 -3.4550 -3.4550 -3.2966 -3.2966 -3.2528 -3.2528 1.2335 1.2335 3.1932 3.1932 3.6520 3.6520 4.0600 4.0600 4.6103 4.6103 4.7347 4.7347 5.1936 5.1936 8.0355 8.0355 8.6222 8.6222 9.2084 9.2084 9.3717 9.3717 k = 0.8024-0.3780-0.9019 ( 4854 PWs) bands (ev): -36.2945 -36.2945 -17.2911 -17.2911 -15.8645 -15.8645 -15.8521 -15.8521 -5.6624 -5.6624 -5.6497 -5.6497 -3.7669 -3.7669 -3.7149 -3.7149 -3.4552 -3.4552 -3.3040 -3.3040 -3.2500 -3.2500 1.2268 1.2268 3.1662 3.1662 3.7023 3.7023 4.0638 4.0638 4.6145 4.6145 4.7446 4.7446 5.2056 5.2056 8.0205 8.0205 8.5938 8.5938 9.2005 9.2005 9.3980 9.3980 k = 0.7953-0.3660-0.8790 ( 4842 PWs) bands (ev): -36.2946 -36.2946 -17.2910 -17.2910 -15.8648 -15.8648 -15.8514 -15.8514 -5.6626 -5.6626 -5.6495 -5.6495 -3.7718 -3.7718 -3.7125 -3.7125 -3.4554 -3.4554 -3.3115 -3.3115 -3.2485 -3.2485 1.2190 1.2190 3.1440 3.1440 3.7518 3.7518 4.0704 4.0704 4.6192 4.6192 4.7535 4.7535 5.2195 5.2195 8.0106 8.0106 8.5690 8.5690 9.1793 9.1793 9.4315 9.4315 k = 0.7883-0.3541-0.8561 ( 4838 PWs) bands (ev): -36.2946 -36.2946 -17.2908 -17.2908 -15.8650 -15.8650 -15.8507 -15.8507 -5.6628 -5.6628 -5.6493 -5.6493 -3.7775 -3.7775 -3.7100 -3.7100 -3.4557 -3.4557 -3.3192 -3.3192 -3.2482 -3.2482 1.2103 1.2103 3.1272 3.1272 3.8000 3.8000 4.0802 4.0802 4.6243 4.6243 4.7610 4.7610 5.2352 5.2352 8.0059 8.0059 8.5485 8.5485 9.1507 9.1507 9.4639 9.4639 k = 0.7813-0.3421-0.8332 ( 4840 PWs) bands (ev): -36.2946 -36.2946 -17.2906 -17.2906 -15.8652 -15.8652 -15.8499 -15.8499 -5.6630 -5.6630 -5.6491 -5.6491 -3.7839 -3.7839 -3.7075 -3.7075 -3.4561 -3.4561 -3.3269 -3.3269 -3.2493 -3.2493 1.2007 1.2007 3.1158 3.1158 3.8463 3.8463 4.0936 4.0936 4.6295 4.6295 4.7669 4.7669 5.2525 5.2525 8.0068 8.0068 8.5327 8.5327 9.1184 9.1184 9.4887 9.4887 k = 0.7742-0.3302-0.8103 ( 4834 PWs) bands (ev): -36.2947 -36.2947 -17.2903 -17.2903 -15.8653 -15.8653 -15.8491 -15.8491 -5.6632 -5.6632 -5.6489 -5.6489 -3.7909 -3.7909 -3.7052 -3.7052 -3.4565 -3.4565 -3.3347 -3.3347 -3.2516 -3.2516 1.1902 1.1902 3.1101 3.1101 3.8901 3.8901 4.1107 4.1107 4.6345 4.6345 4.7713 4.7713 5.2715 5.2715 8.0132 8.0132 8.5220 8.5220 9.0851 9.0851 9.5013 9.5013 k = 0.7672-0.3182-0.7875 ( 4838 PWs) bands (ev): -36.2947 -36.2947 -17.2900 -17.2900 -15.8653 -15.8653 -15.8483 -15.8483 -5.6634 -5.6634 -5.6487 -5.6487 -3.7986 -3.7986 -3.7030 -3.7030 -3.4570 -3.4570 -3.3425 -3.3425 -3.2551 -3.2551 1.1789 1.1789 3.1102 3.1102 3.9310 3.9310 4.1316 4.1316 4.6390 4.6390 4.7745 4.7745 5.2925 5.2925 8.0250 8.0250 8.5165 8.5165 9.0526 9.0526 9.5014 9.5014 k = 0.7602-0.3062-0.7646 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2897 -17.2897 -15.8652 -15.8652 -15.8475 -15.8475 -5.6636 -5.6636 -5.6485 -5.6485 -3.8071 -3.8071 -3.7011 -3.7011 -3.4576 -3.4576 -3.3503 -3.3503 -3.2597 -3.2597 1.1669 1.1669 3.1161 3.1161 3.9684 3.9684 4.1563 4.1563 4.6427 4.6427 4.7766 4.7766 5.3155 5.3155 8.0420 8.0420 8.5162 8.5162 9.0226 9.0226 9.4924 9.4924 k = 0.7532-0.2943-0.7417 ( 4838 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8650 -15.8650 -15.8467 -15.8467 -5.6638 -5.6638 -5.6482 -5.6482 -3.8163 -3.8163 -3.6995 -3.6995 -3.4582 -3.4582 -3.3581 -3.3581 -3.2654 -3.2654 1.1544 1.1544 3.1277 3.1277 4.0019 4.0019 4.1846 4.1846 4.6454 4.6454 4.7783 4.7783 5.3407 5.3407 8.0638 8.0638 8.5207 8.5207 8.9968 8.9968 9.4776 9.4776 k = 0.7461-0.2823-0.7188 ( 4830 PWs) bands (ev): -36.2949 -36.2949 -17.2889 -17.2889 -15.8648 -15.8648 -15.8458 -15.8458 -5.6640 -5.6640 -5.6480 -5.6480 -3.8263 -3.8263 -3.6982 -3.6982 -3.4589 -3.4589 -3.3657 -3.3657 -3.2720 -3.2720 1.1415 1.1415 3.1449 3.1449 4.0309 4.0309 4.2163 4.2163 4.6470 4.6470 4.7799 4.7799 5.3682 5.3682 8.0898 8.0898 8.5295 8.5295 8.9767 8.9767 9.4593 9.4593 k = 0.7391-0.2704-0.6959 ( 4824 PWs) bands (ev): -36.2949 -36.2949 -17.2885 -17.2885 -15.8644 -15.8644 -15.8450 -15.8450 -5.6642 -5.6642 -5.6478 -5.6478 -3.8371 -3.8371 -3.6972 -3.6972 -3.4597 -3.4597 -3.3733 -3.3733 -3.2795 -3.2795 1.1283 1.1283 3.1677 3.1677 4.0547 4.0547 4.2513 4.2513 4.6477 4.6477 4.7820 4.7820 5.3983 5.3983 8.1193 8.1193 8.5417 8.5417 8.9636 8.9636 9.4389 9.4389 k = 0.7321-0.2584-0.6730 ( 4822 PWs) bands (ev): -36.2950 -36.2950 -17.2880 -17.2880 -15.8640 -15.8640 -15.8441 -15.8441 -5.6644 -5.6644 -5.6475 -5.6475 -3.8488 -3.8488 -3.6967 -3.6967 -3.4606 -3.4606 -3.3806 -3.3806 -3.2876 -3.2876 1.1150 1.1150 3.1957 3.1957 4.0726 4.0726 4.2896 4.2896 4.6478 4.6478 4.7848 4.7848 5.4309 5.4309 8.1518 8.1518 8.5563 8.5563 8.9586 8.9586 9.4175 9.4175 k = 0.7250-0.2465-0.6501 ( 4822 PWs) bands (ev): -36.2951 -36.2951 -17.2875 -17.2875 -15.8635 -15.8635 -15.8433 -15.8433 -5.6645 -5.6645 -5.6473 -5.6473 -3.8614 -3.8614 -3.6966 -3.6966 -3.4616 -3.4616 -3.3878 -3.3878 -3.2963 -3.2963 1.1017 1.1017 3.2287 3.2287 4.0843 4.0843 4.3310 4.3310 4.6477 4.6477 4.7888 4.7888 5.4663 5.4663 8.1863 8.1863 8.5724 8.5724 8.9624 8.9624 9.3964 9.3964 k = 0.7180-0.2345-0.6272 ( 4818 PWs) bands (ev): -36.2952 -36.2952 -17.2870 -17.2870 -15.8629 -15.8629 -15.8424 -15.8424 -5.6647 -5.6647 -5.6470 -5.6470 -3.8748 -3.8748 -3.6971 -3.6971 -3.4627 -3.4627 -3.3946 -3.3946 -3.3054 -3.3054 1.0886 1.0886 3.2662 3.2662 4.0898 4.0898 4.3750 4.3750 4.6479 4.6479 4.7942 4.7942 5.5044 5.5044 8.2221 8.2221 8.5895 8.5895 8.9742 8.9742 9.3772 9.3772 k = 0.7110-0.2226-0.6043 ( 4820 PWs) bands (ev): -36.2953 -36.2953 -17.2864 -17.2864 -15.8622 -15.8622 -15.8415 -15.8415 -5.6649 -5.6649 -5.6468 -5.6468 -3.8893 -3.8893 -3.6980 -3.6980 -3.4638 -3.4638 -3.4012 -3.4012 -3.3147 -3.3147 1.0757 1.0757 3.3077 3.3077 4.0897 4.0897 4.4206 4.4206 4.6492 4.6492 4.8012 4.8012 5.5452 5.5452 8.2582 8.2582 8.6074 8.6074 8.9921 8.9921 9.3619 9.3619 k = 0.7039-0.2106-0.5814 ( 4824 PWs) bands (ev): -36.2954 -36.2954 -17.2858 -17.2858 -15.8615 -15.8615 -15.8406 -15.8406 -5.6650 -5.6650 -5.6465 -5.6465 -3.9046 -3.9046 -3.6995 -3.6995 -3.4651 -3.4651 -3.4074 -3.4074 -3.3242 -3.3242 1.0633 1.0633 3.3524 3.3524 4.0849 4.0849 4.4659 4.4659 4.6526 4.6526 4.8103 4.8103 5.5887 5.5887 8.2938 8.2938 8.6265 8.6265 9.0120 9.0120 9.3536 9.3536 k = 0.6969-0.1986-0.5585 ( 4822 PWs) bands (ev): -36.2955 -36.2955 -17.2852 -17.2852 -15.8608 -15.8608 -15.8397 -15.8397 -5.6651 -5.6651 -5.6463 -5.6463 -3.9209 -3.9209 -3.7015 -3.7015 -3.4664 -3.4664 -3.4132 -3.4132 -3.3336 -3.3336 1.0513 1.0513 3.3990 3.3990 4.0774 4.0774 4.5074 4.5074 4.6606 4.6606 4.8221 4.8221 5.6349 5.6349 8.3281 8.3281 8.6470 8.6470 9.0288 9.0288 9.3558 9.3558 k = 0.6899-0.1867-0.5356 ( 4812 PWs) bands (ev): -36.2955 -36.2955 -17.2846 -17.2846 -15.8600 -15.8600 -15.8387 -15.8387 -5.6652 -5.6652 -5.6460 -5.6460 -3.9380 -3.9380 -3.7040 -3.7040 -3.4679 -3.4679 -3.4185 -3.4185 -3.3429 -3.3429 1.0400 1.0400 3.4460 3.4460 4.0692 4.0692 4.5399 4.5399 4.6764 4.6764 4.8380 4.8380 5.6837 5.6837 8.3608 8.3608 8.6690 8.6690 9.0377 9.0377 9.3712 9.3712 k = 0.6828-0.1747-0.5127 ( 4820 PWs) bands (ev): -36.2957 -36.2957 -17.2839 -17.2839 -15.8592 -15.8592 -15.8377 -15.8377 -5.6654 -5.6654 -5.6458 -5.6458 -3.9561 -3.9561 -3.7071 -3.7071 -3.4695 -3.4695 -3.4234 -3.4234 -3.3520 -3.3520 1.0293 1.0293 3.4910 3.4910 4.0635 4.0635 4.5594 4.5594 4.7011 4.7011 4.8603 4.8603 5.7350 5.7350 8.3914 8.3914 8.6919 8.6919 9.0369 9.0369 9.3997 9.3997 k = 0.6758-0.1628-0.4898 ( 4818 PWs) bands (ev): -36.2958 -36.2958 -17.2833 -17.2833 -15.8584 -15.8584 -15.8367 -15.8367 -5.6655 -5.6655 -5.6455 -5.6455 -3.9749 -3.9749 -3.7107 -3.7107 -3.4711 -3.4711 -3.4277 -3.4277 -3.3608 -3.3608 1.0194 1.0194 3.5309 3.5309 4.0641 4.0641 4.5677 4.5677 4.7289 4.7289 4.8927 4.8927 5.7888 5.7888 8.4200 8.4200 8.7145 8.7145 9.0281 9.0281 9.4382 9.4382 k = 0.6688-0.1508-0.4670 ( 4820 PWs) bands (ev): -36.2959 -36.2959 -17.2826 -17.2826 -15.8577 -15.8577 -15.8356 -15.8356 -5.6656 -5.6656 -5.6452 -5.6452 -3.9944 -3.9944 -3.7148 -3.7148 -3.4729 -3.4729 -3.4316 -3.4316 -3.3691 -3.3691 1.0104 1.0104 3.5617 3.5617 4.0750 4.0750 4.5692 4.5692 4.7526 4.7526 4.9373 4.9373 5.8449 5.8449 8.4466 8.4466 8.7348 8.7348 9.0145 9.0145 9.4833 9.4833 k = 0.6617-0.1389-0.4441 ( 4832 PWs) bands (ev): -36.2960 -36.2960 -17.2819 -17.2819 -15.8569 -15.8569 -15.8345 -15.8345 -5.6657 -5.6657 -5.6450 -5.6450 -4.0145 -4.0145 -3.7194 -3.7194 -3.4747 -3.4747 -3.4350 -3.4350 -3.3771 -3.3771 1.0021 1.0021 3.5805 3.5805 4.0998 4.0998 4.5672 4.5672 4.7698 4.7698 4.9932 4.9932 5.9032 5.9032 8.4714 8.4714 8.7509 8.7509 8.9996 8.9996 9.5326 9.5326 k = 0.6547-0.1269-0.4212 ( 4836 PWs) bands (ev): -36.2961 -36.2961 -17.2812 -17.2812 -15.8562 -15.8562 -15.8333 -15.8333 -5.6658 -5.6658 -5.6447 -5.6447 -4.0351 -4.0351 -3.7244 -3.7244 -3.4765 -3.4765 -3.4380 -3.4380 -3.3846 -3.3846 0.9947 0.9947 3.5858 3.5858 4.1398 4.1398 4.5638 4.5638 4.7816 4.7816 5.0573 5.0573 5.9637 5.9637 8.4942 8.4942 8.7606 8.7606 8.9862 8.9862 9.5836 9.5836 k = 0.6477-0.1149-0.3983 ( 4832 PWs) bands (ev): -36.2962 -36.2962 -17.2805 -17.2805 -15.8555 -15.8555 -15.8321 -15.8321 -5.6658 -5.6658 -5.6444 -5.6444 -4.0561 -4.0561 -3.7297 -3.7297 -3.4784 -3.4784 -3.4405 -3.4405 -3.3917 -3.3917 0.9882 0.9882 3.5791 3.5791 4.1931 4.1931 4.5604 4.5604 4.7896 4.7896 5.1271 5.1271 6.0261 6.0261 8.5147 8.5147 8.7626 8.7626 8.9769 8.9769 9.6257 9.6257 k = 0.6406-0.1030-0.3754 ( 4830 PWs) bands (ev): -36.2963 -36.2963 -17.2798 -17.2798 -15.8549 -15.8549 -15.8308 -15.8308 -5.6659 -5.6659 -5.6441 -5.6441 -4.0773 -4.0773 -3.7353 -3.7353 -3.4802 -3.4802 -3.4427 -3.4427 -3.3982 -3.3982 0.9825 0.9825 3.5631 3.5631 4.2559 4.2559 4.5586 4.5586 4.7952 4.7952 5.2005 5.2005 6.0905 6.0905 8.5324 8.5324 8.7563 8.7563 8.9730 8.9730 9.6367 9.6367 k = 0.6336-0.0910-0.3525 ( 4818 PWs) bands (ev): -36.2964 -36.2964 -17.2791 -17.2791 -15.8543 -15.8543 -15.8294 -15.8294 -5.6660 -5.6660 -5.6438 -5.6438 -4.0986 -4.0986 -3.7411 -3.7411 -3.4819 -3.4819 -3.4445 -3.4445 -3.4043 -3.4043 0.9777 0.9777 3.5405 3.5405 4.3226 4.3226 4.5616 4.5616 4.7992 4.7992 5.2764 5.2764 6.1565 6.1565 8.5470 8.5470 8.7428 8.7428 8.9747 8.9747 9.6279 9.6279 k = 0.6266-0.0791-0.3296 ( 4812 PWs) bands (ev): -36.2965 -36.2965 -17.2784 -17.2784 -15.8537 -15.8537 -15.8281 -15.8281 -5.6661 -5.6661 -5.6435 -5.6435 -4.1198 -4.1198 -3.7470 -3.7470 -3.4837 -3.4837 -3.4461 -3.4461 -3.4098 -3.4098 0.9736 0.9736 3.5137 3.5137 4.3840 4.3840 4.5758 4.5758 4.8028 4.8028 5.3540 5.3540 6.2241 6.2241 8.5578 8.5578 8.7239 8.7239 8.9812 8.9812 9.6119 9.6119 k = 0.6195-0.0671-0.3067 ( 4810 PWs) bands (ev): -36.2966 -36.2966 -17.2777 -17.2777 -15.8532 -15.8532 -15.8267 -15.8267 -5.6661 -5.6661 -5.6431 -5.6431 -4.1409 -4.1409 -3.7531 -3.7531 -3.4853 -3.4853 -3.4475 -3.4475 -3.4149 -3.4149 0.9704 0.9704 3.4844 3.4844 4.4270 4.4270 4.6112 4.6112 4.8077 4.8077 5.4326 5.4326 6.2931 6.2931 8.5647 8.5647 8.7016 8.7016 8.9913 8.9913 9.5918 9.5918 k = 0.6125-0.0552-0.2838 ( 4806 PWs) bands (ev): -36.2967 -36.2967 -17.2771 -17.2771 -15.8528 -15.8528 -15.8253 -15.8253 -5.6662 -5.6662 -5.6428 -5.6428 -4.1616 -4.1616 -3.7592 -3.7592 -3.4869 -3.4869 -3.4487 -3.4487 -3.4196 -3.4196 0.9678 0.9678 3.4538 3.4538 4.4470 4.4470 4.6669 4.6669 4.8185 4.8185 5.5117 5.5117 6.3632 6.3632 8.5675 8.5675 8.6774 8.6774 9.0037 9.0037 9.5685 9.5685 k = 0.6055-0.0432-0.2609 ( 4802 PWs) bands (ev): -36.2968 -36.2968 -17.2764 -17.2764 -15.8524 -15.8524 -15.8239 -15.8239 -5.6663 -5.6663 -5.6425 -5.6425 -4.1818 -4.1818 -3.7652 -3.7652 -3.4884 -3.4884 -3.4497 -3.4497 -3.4237 -3.4237 0.9658 0.9658 3.4227 3.4227 4.4527 4.4527 4.7203 4.7203 4.8481 4.8481 5.5910 5.5910 6.4342 6.4342 8.5664 8.5664 8.6525 8.6525 9.0173 9.0173 9.5418 9.5418 k = 0.5984-0.0313-0.2380 ( 4804 PWs) bands (ev): -36.2969 -36.2969 -17.2758 -17.2758 -15.8521 -15.8521 -15.8225 -15.8225 -5.6664 -5.6664 -5.6421 -5.6421 -4.2014 -4.2014 -3.7711 -3.7711 -3.4898 -3.4898 -3.4506 -3.4506 -3.4274 -3.4274 0.9645 0.9645 3.3919 3.3919 4.4521 4.4521 4.7480 4.7480 4.9111 4.9111 5.6701 5.6701 6.5058 6.5058 8.5617 8.5617 8.6280 8.6280 9.0308 9.0308 9.5111 9.5111 k = 0.5914-0.0193-0.2151 ( 4800 PWs) bands (ev): -36.2970 -36.2970 -17.2752 -17.2752 -15.8518 -15.8518 -15.8211 -15.8211 -5.6664 -5.6664 -5.6418 -5.6418 -4.2203 -4.2203 -3.7769 -3.7769 -3.4911 -3.4911 -3.4514 -3.4514 -3.4307 -3.4307 0.9637 0.9637 3.3618 3.3618 4.4487 4.4487 4.7572 4.7572 4.9961 4.9961 5.7488 5.7488 6.5776 6.5776 8.5536 8.5536 8.6047 8.6047 9.0432 9.0432 9.4754 9.4754 k = 0.5844-0.0073-0.1922 ( 4804 PWs) bands (ev): -36.2971 -36.2971 -17.2747 -17.2747 -15.8515 -15.8515 -15.8198 -15.8198 -5.6665 -5.6665 -5.6415 -5.6415 -4.2383 -4.2383 -3.7825 -3.7825 -3.4924 -3.4924 -3.4521 -3.4521 -3.4336 -3.4336 0.9633 0.9633 3.3329 3.3329 4.4441 4.4441 4.7594 4.7594 5.0888 5.0888 5.8271 5.8271 6.6491 6.6491 8.5422 8.5422 8.5835 8.5835 9.0532 9.0532 9.4337 9.4337 k = 0.5774 0.0046-0.1693 ( 4802 PWs) bands (ev): -36.2972 -36.2972 -17.2741 -17.2741 -15.8513 -15.8513 -15.8185 -15.8185 -5.6666 -5.6666 -5.6411 -5.6411 -4.2552 -4.2552 -3.7878 -3.7878 -3.4936 -3.4936 -3.4527 -3.4527 -3.4361 -3.4361 0.9632 0.9632 3.3055 3.3055 4.4390 4.4390 4.7589 4.7589 5.1832 5.1832 5.9047 5.9047 6.7200 6.7200 8.5278 8.5278 8.5650 8.5650 9.0596 9.0596 9.3852 9.3852 k = 0.5703 0.0166-0.1464 ( 4796 PWs) bands (ev): -36.2972 -36.2972 -17.2736 -17.2736 -15.8511 -15.8511 -15.8173 -15.8173 -5.6666 -5.6666 -5.6408 -5.6408 -4.2711 -4.2711 -3.7928 -3.7928 -3.4947 -3.4947 -3.4534 -3.4534 -3.4382 -3.4382 0.9635 0.9635 3.2798 3.2798 4.4338 4.4338 4.7573 4.7573 5.2762 5.2762 5.9817 5.9817 6.7894 6.7894 8.5112 8.5112 8.5488 8.5488 9.0609 9.0609 9.3304 9.3304 k = 0.5633 0.0285-0.1236 ( 4794 PWs) bands (ev): -36.2973 -36.2973 -17.2732 -17.2732 -15.8510 -15.8510 -15.8161 -15.8161 -5.6667 -5.6667 -5.6405 -5.6405 -4.2858 -4.2858 -3.7974 -3.7974 -3.4957 -3.4957 -3.4540 -3.4540 -3.4400 -3.4400 0.9640 0.9640 3.2560 3.2560 4.4287 4.4287 4.7552 4.7552 5.3654 5.3654 6.0580 6.0580 6.8570 6.8570 8.4938 8.4938 8.5340 8.5340 9.0546 9.0546 9.2721 9.2721 k = 0.5563 0.0405-0.1007 ( 4800 PWs) bands (ev): -36.2974 -36.2974 -17.2728 -17.2728 -15.8509 -15.8509 -15.8151 -15.8151 -5.6668 -5.6668 -5.6402 -5.6402 -4.2991 -4.2991 -3.8017 -3.8017 -3.4966 -3.4966 -3.4545 -3.4545 -3.4414 -3.4414 0.9647 0.9647 3.2343 3.2343 4.4240 4.4240 4.7529 4.7529 5.4492 5.4492 6.1333 6.1333 6.9217 6.9217 8.4769 8.4769 8.5199 8.5199 9.0354 9.0354 9.2172 9.2172 k = 0.5492 0.0524-0.0778 ( 4806 PWs) bands (ev): -36.2974 -36.2974 -17.2724 -17.2724 -15.8507 -15.8507 -15.8142 -15.8142 -5.6668 -5.6668 -5.6400 -5.6400 -4.3111 -4.3111 -3.8056 -3.8056 -3.4975 -3.4975 -3.4550 -3.4550 -3.4426 -3.4426 0.9654 0.9654 3.2149 3.2149 4.4197 4.4197 4.7508 4.7508 5.5258 5.5258 6.2070 6.2070 6.9830 6.9830 8.4610 8.4610 8.5059 8.5059 8.9970 8.9970 9.1755 9.1755 k = 0.5422 0.0644-0.0549 ( 4806 PWs) bands (ev): -36.2975 -36.2975 -17.2721 -17.2721 -15.8507 -15.8507 -15.8133 -15.8133 -5.6669 -5.6669 -5.6398 -5.6398 -4.3217 -4.3217 -3.8089 -3.8089 -3.4982 -3.4982 -3.4555 -3.4555 -3.4435 -3.4435 0.9662 0.9662 3.1978 3.1978 4.4158 4.4158 4.7488 4.7488 5.5940 5.5940 6.2783 6.2783 7.0398 7.0398 8.4464 8.4464 8.4916 8.4916 8.9404 8.9404 9.1500 9.1500 k = 0.5352 0.0764-0.0320 ( 4806 PWs) bands (ev): -36.2975 -36.2975 -17.2718 -17.2718 -15.8506 -15.8506 -15.8126 -15.8126 -5.6669 -5.6669 -5.6396 -5.6396 -4.3307 -4.3307 -3.8119 -3.8119 -3.4989 -3.4989 -3.4560 -3.4560 -3.4443 -3.4443 0.9670 0.9670 3.1832 3.1832 4.4125 4.4125 4.7471 4.7471 5.6527 5.6527 6.3454 6.3454 7.0912 7.0912 8.4332 8.4332 8.4770 8.4770 8.8761 8.8761 9.1354 9.1354 k = 0.5281 0.0883-0.0091 ( 4802 PWs) bands (ev): -36.2976 -36.2976 -17.2716 -17.2716 -15.8505 -15.8505 -15.8120 -15.8120 -5.6670 -5.6670 -5.6394 -5.6394 -4.3382 -4.3382 -3.8143 -3.8143 -3.4994 -3.4994 -3.4564 -3.4564 -3.4448 -3.4448 0.9676 0.9676 3.1711 3.1711 4.4097 4.4097 4.7456 4.7456 5.7012 5.7012 6.4062 6.4062 7.1360 7.1360 8.4209 8.4209 8.4622 8.4622 8.8145 8.8145 9.1262 9.1262 k = 0.5211 0.1003 0.0138 ( 4794 PWs) bands (ev): -36.2976 -36.2976 -17.2714 -17.2714 -15.8505 -15.8505 -15.8115 -15.8115 -5.6670 -5.6670 -5.6392 -5.6392 -4.3440 -4.3440 -3.8162 -3.8162 -3.4998 -3.4998 -3.4566 -3.4566 -3.4452 -3.4452 0.9682 0.9682 3.1617 3.1617 4.4075 4.4075 4.7445 4.7445 5.7391 5.7391 6.4579 6.4579 7.1732 7.1732 8.4090 8.4090 8.4484 8.4484 8.7626 8.7626 9.1200 9.1200 k = 0.5141 0.1122 0.0367 ( 4802 PWs) bands (ev): -36.2976 -36.2976 -17.2713 -17.2713 -15.8505 -15.8505 -15.8112 -15.8112 -5.6670 -5.6670 -5.6391 -5.6391 -4.3482 -4.3482 -3.8175 -3.8175 -3.5001 -3.5001 -3.4569 -3.4569 -3.4455 -3.4455 0.9687 0.9687 3.1549 3.1549 4.4059 4.4059 4.7436 4.7436 5.7662 5.7662 6.4977 6.4977 7.2012 7.2012 8.3977 8.3977 8.4375 8.4375 8.7245 8.7245 9.1159 9.1159 k = 0.5070 0.1242 0.0596 ( 4804 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3508 -4.3508 -3.8183 -3.8183 -3.5003 -3.5003 -3.4570 -3.4570 -3.4456 -3.4456 0.9689 0.9689 3.1508 3.1508 4.4050 4.4050 4.7431 4.7431 5.7825 5.7825 6.5229 6.5229 7.2187 7.2187 8.3887 8.3887 8.4309 8.4309 8.7017 8.7017 9.1135 9.1135 k = 0.5000 0.1361 0.0825 ( 4796 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3516 -4.3516 -3.8186 -3.8186 -3.5003 -3.5003 -3.4571 -3.4571 -3.4457 -3.4457 0.9690 0.9690 3.1495 3.1495 4.4047 4.4047 4.7430 4.7430 5.7879 5.7879 6.5315 6.5315 7.2246 7.2246 8.3852 8.3852 8.4288 8.4288 8.6942 8.6942 9.1127 9.1127 k = 0.5000 0.1361 0.0825 ( 4796 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3516 -4.3516 -3.8186 -3.8186 -3.5003 -3.5003 -3.4571 -3.4571 -3.4457 -3.4457 0.9690 0.9690 3.1495 3.1495 4.4047 4.4047 4.7430 4.7430 5.7879 5.7879 6.5315 6.5315 7.2246 7.2246 8.3852 8.3852 8.4288 8.4288 8.6942 8.6942 9.1127 9.1127 k = 0.4750 0.1293 0.0784 ( 4799 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3526 -4.3526 -3.8171 -3.8171 -3.5003 -3.5003 -3.4571 -3.4571 -3.4457 -3.4457 0.9654 0.9654 3.1559 3.1559 4.4050 4.4050 4.7431 4.7431 5.7869 5.7869 6.5311 6.5311 7.2149 7.2149 8.3859 8.3859 8.4289 8.4289 8.6961 8.6961 9.1160 9.1160 k = 0.4500 0.1225 0.0742 ( 4805 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3556 -4.3556 -3.8127 -3.8127 -3.5004 -3.5004 -3.4571 -3.4571 -3.4458 -3.4458 0.9549 0.9549 3.1749 3.1749 4.4060 4.4060 4.7435 4.7435 5.7837 5.7837 6.5298 6.5298 7.1863 7.1863 8.3878 8.3878 8.4293 8.4293 8.7016 8.7016 9.1259 9.1259 k = 0.4250 0.1157 0.0701 ( 4790 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3605 -4.3605 -3.8055 -3.8055 -3.5003 -3.5003 -3.4571 -3.4571 -3.4459 -3.4459 0.9379 0.9379 3.2059 3.2059 4.4078 4.4078 4.7443 4.7443 5.7784 5.7784 6.5278 6.5278 7.1405 7.1405 8.3908 8.3908 8.4300 8.4300 8.7100 8.7100 9.1416 9.1416 k = 0.4000 0.1089 0.0660 ( 4775 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6392 -5.6392 -4.3669 -4.3669 -3.7959 -3.7959 -3.5003 -3.5003 -3.4570 -3.4570 -3.4461 -3.4461 0.9152 0.9152 3.2483 3.2483 4.4102 4.4102 4.7452 4.7452 5.7709 5.7709 6.5251 6.5251 7.0799 7.0799 8.3946 8.3946 8.4309 8.4309 8.7203 8.7203 9.1623 9.1623 k = 0.3750 0.1021 0.0619 ( 4772 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6392 -5.6392 -4.3746 -4.3746 -3.7842 -3.7842 -3.5003 -3.5003 -3.4570 -3.4570 -3.4463 -3.4463 0.8878 0.8878 3.3009 3.3009 4.4133 4.4133 4.7464 4.7464 5.7611 5.7611 6.5217 6.5217 7.0071 7.0071 8.3988 8.3988 8.4320 8.4320 8.7318 8.7318 9.1866 9.1866 k = 0.3500 0.0953 0.0577 ( 4779 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6393 -5.6393 -4.3833 -4.3833 -3.7708 -3.7708 -3.5004 -3.5004 -3.4571 -3.4571 -3.4466 -3.4466 0.8566 0.8566 3.3628 3.3628 4.4172 4.4172 4.7479 4.7479 5.7488 5.7488 6.5177 6.5177 6.9250 6.9250 8.4033 8.4033 8.4332 8.4332 8.7438 8.7438 9.2133 9.2133 k = 0.3250 0.0885 0.0536 ( 4773 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6394 -5.6394 -4.3926 -4.3926 -3.7561 -3.7561 -3.5004 -3.5004 -3.4571 -3.4571 -3.4469 -3.4469 0.8228 0.8228 3.4326 3.4326 4.4219 4.4219 4.7495 4.7495 5.7337 5.7337 6.5132 6.5132 6.8361 6.8361 8.4079 8.4079 8.4346 8.4346 8.7559 8.7559 9.2413 9.2413 k = 0.3000 0.0817 0.0495 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6394 -5.6394 -4.4023 -4.4023 -3.7405 -3.7405 -3.5004 -3.5004 -3.4571 -3.4571 -3.4473 -3.4473 0.7875 0.7875 3.5092 3.5092 4.4275 4.4275 4.7512 4.7512 5.7154 5.7154 6.5084 6.5084 6.7428 6.7428 8.4126 8.4126 8.4360 8.4360 8.7678 8.7678 9.2694 9.2694 k = 0.2750 0.0749 0.0454 ( 4758 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6395 -5.6395 -4.4120 -4.4120 -3.7245 -3.7245 -3.5004 -3.5004 -3.4571 -3.4571 -3.4478 -3.4478 0.7515 0.7515 3.5913 3.5913 4.4343 4.4343 4.7531 4.7531 5.6933 5.6933 6.5033 6.5033 6.6476 6.6476 8.4171 8.4171 8.4375 8.4375 8.7794 8.7794 9.2969 9.2969 k = 0.2500 0.0681 0.0412 ( 4758 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6396 -5.6396 -4.4216 -4.4216 -3.7084 -3.7084 -3.5004 -3.5004 -3.4571 -3.4571 -3.4483 -3.4483 0.7157 0.7157 3.6776 3.6776 4.4425 4.4425 4.7550 4.7550 5.6667 5.6667 6.4981 6.4981 6.5529 6.5529 8.4215 8.4215 8.4389 8.4389 8.7906 8.7906 9.3232 9.3232 k = 0.2250 0.0613 0.0371 ( 4779 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6397 -5.6397 -4.4309 -4.4309 -3.6925 -3.6925 -3.5004 -3.5004 -3.4571 -3.4571 -3.4489 -3.4489 0.6811 0.6811 3.7665 3.7665 4.4527 4.4527 4.7569 4.7569 5.6343 5.6343 6.4610 6.4610 6.4929 6.4929 8.4257 8.4257 8.4403 8.4403 8.8013 8.8013 9.3477 9.3477 k = 0.2000 0.0545 0.0330 ( 4791 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6398 -5.6398 -4.4396 -4.4396 -3.6773 -3.6773 -3.5004 -3.5004 -3.4571 -3.4571 -3.4496 -3.4496 0.6483 0.6483 3.8563 3.8563 4.4657 4.4657 4.7587 4.7587 5.5948 5.5948 6.3747 6.3747 6.4879 6.4879 8.4295 8.4295 8.4416 8.4416 8.8114 8.8114 9.3702 9.3702 k = 0.1750 0.0476 0.0289 ( 4791 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6399 -5.6399 -4.4475 -4.4475 -3.6629 -3.6629 -3.5005 -3.5005 -3.4571 -3.4571 -3.4503 -3.4503 0.6179 0.6179 3.9446 3.9446 4.4828 4.4828 4.7605 4.7605 5.5470 5.5470 6.2963 6.2963 6.4831 6.4831 8.4330 8.4330 8.4428 8.4428 8.8208 8.8208 9.3904 9.3904 k = 0.1500 0.0408 0.0247 ( 4785 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6400 -5.6400 -4.4547 -4.4547 -3.6498 -3.6498 -3.5005 -3.5005 -3.4571 -3.4571 -3.4510 -3.4510 0.5905 0.5905 4.0282 4.0282 4.5063 4.5063 4.7621 4.7621 5.4899 5.4899 6.2281 6.2281 6.4787 6.4787 8.4362 8.4362 8.4439 8.4439 8.8294 8.8294 9.4080 9.4080 k = 0.1250 0.0340 0.0206 ( 4794 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6671 -5.6671 -5.6401 -5.6401 -4.4609 -4.4609 -3.6381 -3.6381 -3.5005 -3.5005 -3.4571 -3.4571 -3.4517 -3.4517 0.5665 0.5665 4.1030 4.1030 4.5390 4.5390 4.7636 4.7636 5.4234 5.4234 6.1715 6.1715 6.4748 6.4748 8.4388 8.4388 8.4448 8.4448 8.8369 8.8369 9.4230 9.4230 k = 0.1000 0.0272 0.0165 ( 4794 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6671 -5.6671 -5.6401 -5.6401 -4.4661 -4.4661 -3.6282 -3.6282 -3.5005 -3.5005 -3.4571 -3.4571 -3.4524 -3.4524 0.5464 0.5464 4.1648 4.1648 4.5836 4.5836 4.7649 4.7649 5.3489 5.3489 6.1267 6.1267 6.4714 6.4714 8.4411 8.4411 8.4456 8.4456 8.8433 8.8433 9.4353 9.4353 k = 0.0750 0.0204 0.0124 ( 4779 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4702 -4.4702 -3.6202 -3.6202 -3.5005 -3.5005 -3.4571 -3.4571 -3.4530 -3.4530 0.5304 0.5304 4.2107 4.2107 4.6405 4.6405 4.7659 4.7659 5.2694 5.2694 6.0934 6.0934 6.4687 6.4687 8.4428 8.4428 8.4462 8.4462 8.8485 8.8485 9.4448 9.4448 k = 0.0500 0.0136 0.0082 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4731 -4.4731 -3.6144 -3.6144 -3.5005 -3.5005 -3.4571 -3.4571 -3.4535 -3.4535 0.5188 0.5188 4.2408 4.2408 4.7048 4.7048 4.7666 4.7666 5.1905 5.1905 6.0706 6.0706 6.4668 6.4668 8.4441 8.4441 8.4466 8.4466 8.8523 8.8523 9.4516 9.4516 k = 0.0250 0.0068 0.0041 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4749 -4.4749 -3.6108 -3.6108 -3.5005 -3.5005 -3.4571 -3.4571 -3.4538 -3.4538 0.5117 0.5117 4.2575 4.2575 4.7635 4.7635 4.7671 4.7671 5.1239 5.1239 6.0574 6.0574 6.4656 6.4656 8.4448 8.4448 8.4469 8.4469 8.8546 8.8546 9.4557 9.4557 k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4755 -4.4755 -3.6096 -3.6096 -3.5005 -3.5005 -3.4571 -3.4571 -3.4539 -3.4539 0.5094 0.5094 4.2628 4.2628 4.7672 4.7672 4.7901 4.7901 5.0949 5.0949 6.0530 6.0530 6.4652 6.4652 8.4451 8.4451 8.4469 8.4469 8.8554 8.8554 9.4570 9.4570 k = 0.0000 0.0000 0.0000 ( 4767 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4755 -4.4755 -3.6096 -3.6096 -3.5005 -3.5005 -3.4571 -3.4571 -3.4539 -3.4539 0.5094 0.5094 4.2628 4.2628 4.7672 4.7672 4.7901 4.7901 5.0949 5.0949 6.0530 6.0530 6.4652 6.4652 8.4451 8.4451 8.4469 8.4469 8.8554 8.8554 9.4570 9.4570 k = 0.0070-0.0119-0.0227 ( 4779 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6402 -5.6402 -4.4746 -4.4746 -3.6105 -3.6105 -3.5003 -3.5003 -3.4566 -3.4566 -3.4536 -3.4536 0.5105 0.5105 4.2607 4.2607 4.7594 4.7594 4.7851 4.7851 5.1064 5.1064 6.0517 6.0517 6.4610 6.4610 8.4469 8.4469 8.4494 8.4494 8.8592 8.8592 9.4502 9.4502 k = 0.0140-0.0237-0.0454 ( 4787 PWs) bands (ev): -36.2976 -36.2976 -17.2713 -17.2713 -15.8504 -15.8504 -15.8111 -15.8111 -5.6670 -5.6670 -5.6403 -5.6403 -4.4718 -4.4718 -3.6130 -3.6130 -3.4994 -3.4994 -3.4557 -3.4557 -3.4524 -3.4524 0.5138 0.5138 4.2544 4.2544 4.7326 4.7326 4.7778 4.7778 5.1365 5.1365 6.0478 6.0478 6.4486 6.4486 8.4502 8.4502 8.4584 8.4584 8.8708 8.8708 9.4298 9.4298 k = 0.0209-0.0356-0.0681 ( 4785 PWs) bands (ev): -36.2976 -36.2976 -17.2714 -17.2714 -15.8505 -15.8505 -15.8115 -15.8115 -5.6670 -5.6670 -5.6403 -5.6403 -4.4671 -4.4671 -3.6171 -3.6171 -3.4982 -3.4982 -3.4551 -3.4551 -3.4492 -3.4492 0.5192 0.5192 4.2437 4.2437 4.6922 4.6922 4.7709 4.7709 5.1770 5.1770 6.0416 6.0416 6.4288 6.4288 8.4554 8.4554 8.4724 8.4724 8.8907 8.8907 9.3967 9.3967 k = 0.0279-0.0474-0.0908 ( 4791 PWs) bands (ev): -36.2976 -36.2976 -17.2716 -17.2716 -15.8505 -15.8505 -15.8120 -15.8120 -5.6670 -5.6670 -5.6404 -5.6404 -4.4605 -4.4605 -3.6223 -3.6223 -3.4968 -3.4968 -3.4549 -3.4549 -3.4444 -3.4444 0.5269 0.5269 4.2283 4.2283 4.6454 4.6454 4.7632 4.7632 5.2215 5.2215 6.0338 6.0338 6.4024 6.4024 8.4626 8.4626 8.4891 8.4891 8.9195 8.9195 9.3523 9.3523 k = 0.0349-0.0593-0.1135 ( 4797 PWs) bands (ev): -36.2975 -36.2975 -17.2718 -17.2718 -15.8506 -15.8506 -15.8126 -15.8126 -5.6669 -5.6669 -5.6405 -5.6405 -4.4522 -4.4522 -3.6284 -3.6284 -3.4954 -3.4954 -3.4547 -3.4547 -3.4382 -3.4382 0.5366 0.5366 4.2081 4.2081 4.5959 4.5959 4.7545 4.7545 5.2662 5.2662 6.0249 6.0249 6.3705 6.3705 8.4719 8.4719 8.5067 8.5067 8.9574 8.9574 9.2985 9.2985 k = 0.0419-0.0712-0.1362 ( 4803 PWs) bands (ev): -36.2975 -36.2975 -17.2721 -17.2721 -15.8506 -15.8506 -15.8133 -15.8133 -5.6668 -5.6668 -5.6407 -5.6407 -4.4420 -4.4420 -3.6351 -3.6351 -3.4941 -3.4941 -3.4546 -3.4546 -3.4310 -3.4310 0.5485 0.5485 4.1830 4.1830 4.5452 4.5452 4.7454 4.7454 5.3084 5.3084 6.0158 6.0158 6.3343 6.3343 8.4832 8.4832 8.5236 8.5236 9.0039 9.0039 9.2380 9.2380 k = 0.0488-0.0830-0.1590 ( 4803 PWs) bands (ev): -36.2974 -36.2974 -17.2724 -17.2724 -15.8507 -15.8507 -15.8141 -15.8141 -5.6667 -5.6667 -5.6408 -5.6408 -4.4301 -4.4301 -3.6423 -3.6423 -3.4929 -3.4929 -3.4544 -3.4544 -3.4230 -3.4230 0.5624 0.5624 4.1534 4.1534 4.4938 4.4938 4.7363 4.7363 5.3459 5.3459 6.0070 6.0070 6.2951 6.2951 8.4965 8.4965 8.5387 8.5387 9.0566 9.0566 9.1745 9.1745 k = 0.0558-0.0949-0.1817 ( 4809 PWs) bands (ev): -36.2974 -36.2974 -17.2728 -17.2728 -15.8508 -15.8508 -15.8150 -15.8150 -5.6667 -5.6667 -5.6410 -5.6410 -4.4164 -4.4164 -3.6498 -3.6498 -3.4917 -3.4917 -3.4543 -3.4543 -3.4143 -3.4143 0.5782 0.5782 4.1197 4.1197 4.4416 4.4416 4.7277 4.7277 5.3772 5.3772 5.9989 5.9989 6.2540 6.2540 8.5115 8.5115 8.5518 8.5518 9.0861 9.0861 9.1382 9.1382 k = 0.0628-0.1067-0.2044 ( 4813 PWs) bands (ev): -36.2973 -36.2973 -17.2732 -17.2732 -15.8510 -15.8510 -15.8161 -15.8161 -5.6666 -5.6666 -5.6411 -5.6411 -4.4011 -4.4011 -3.6573 -3.6573 -3.4907 -3.4907 -3.4541 -3.4541 -3.4051 -3.4051 0.5960 0.5960 4.0826 4.0826 4.3882 4.3882 4.7202 4.7202 5.4012 5.4012 5.9914 5.9914 6.2125 6.2125 8.5277 8.5277 8.5631 8.5631 9.0294 9.0294 9.1918 9.1918 k = 0.0698-0.1186-0.2271 ( 4819 PWs) bands (ev): -36.2973 -36.2973 -17.2736 -17.2736 -15.8511 -15.8511 -15.8172 -15.8172 -5.6665 -5.6665 -5.6413 -5.6413 -4.3841 -4.3841 -3.6650 -3.6650 -3.4896 -3.4896 -3.4539 -3.4539 -3.3957 -3.3957 0.6156 0.6156 4.0431 4.0431 4.3331 4.3331 4.7138 4.7138 5.4171 5.4171 5.9831 5.9831 6.1723 6.1723 8.5439 8.5439 8.5737 8.5737 8.9650 8.9650 9.2554 9.2554 k = 0.0767-0.1305-0.2498 ( 4821 PWs) bands (ev): -36.2972 -36.2972 -17.2741 -17.2741 -15.8513 -15.8513 -15.8184 -15.8184 -5.6663 -5.6663 -5.6415 -5.6415 -4.3656 -4.3656 -3.6725 -3.6725 -3.4886 -3.4886 -3.4536 -3.4536 -3.3860 -3.3860 0.6369 0.6369 4.0020 4.0020 4.2762 4.2762 4.7086 4.7086 5.4248 5.4248 5.9714 5.9714 6.1360 6.1360 8.5575 8.5575 8.5854 8.5854 8.9044 8.9044 9.3129 9.3129 k = 0.0837-0.1423-0.2725 ( 4823 PWs) bands (ev): -36.2971 -36.2971 -17.2746 -17.2746 -15.8515 -15.8515 -15.8197 -15.8197 -5.6662 -5.6662 -5.6418 -5.6418 -4.3457 -4.3457 -3.6800 -3.6800 -3.4876 -3.4876 -3.4534 -3.4534 -3.3762 -3.3762 0.6598 0.6598 3.9601 3.9601 4.2175 4.2175 4.7044 4.7044 5.4246 5.4246 5.9526 5.9526 6.1066 6.1066 8.5655 8.5655 8.5999 8.5999 8.8507 8.8507 9.3488 9.3488 k = 0.0907-0.1542-0.2952 ( 4825 PWs) bands (ev): -36.2970 -36.2970 -17.2752 -17.2752 -15.8518 -15.8518 -15.8210 -15.8210 -5.6661 -5.6661 -5.6420 -5.6420 -4.3243 -4.3243 -3.6872 -3.6872 -3.4866 -3.4866 -3.4531 -3.4531 -3.3664 -3.3664 0.6842 0.6842 3.9181 3.9181 4.1573 4.1573 4.7010 4.7010 5.4174 5.4174 5.9244 5.9244 6.0852 6.0852 8.5676 8.5676 8.6147 8.6147 8.8075 8.8075 9.3466 9.3466 k = 0.0977-0.1660-0.3179 ( 4819 PWs) bands (ev): -36.2969 -36.2969 -17.2757 -17.2757 -15.8521 -15.8521 -15.8223 -15.8223 -5.6660 -5.6660 -5.6422 -5.6422 -4.3016 -4.3016 -3.6943 -3.6943 -3.4856 -3.4856 -3.4527 -3.4527 -3.3566 -3.3566 0.7099 0.7099 3.8767 3.8767 4.0958 4.0958 4.6979 4.6979 5.4038 5.4038 5.8876 5.8876 6.0698 6.0698 8.5640 8.5640 8.6258 8.6258 8.7790 8.7790 9.3181 9.3181 k = 0.1046-0.1779-0.3406 ( 4817 PWs) bands (ev): -36.2968 -36.2968 -17.2763 -17.2763 -15.8524 -15.8524 -15.8237 -15.8237 -5.6659 -5.6659 -5.6425 -5.6425 -4.2777 -4.2777 -3.7012 -3.7012 -3.4846 -3.4846 -3.4524 -3.4524 -3.3470 -3.3470 0.7369 0.7369 3.8361 3.8361 4.0336 4.0336 4.6946 4.6946 5.3849 5.3849 5.8451 5.8451 6.0564 6.0564 8.5539 8.5539 8.6314 8.6314 8.7672 8.7672 9.2856 9.2856 k = 0.1116-0.1898-0.3633 ( 4821 PWs) bands (ev): -36.2967 -36.2967 -17.2770 -17.2770 -15.8528 -15.8528 -15.8251 -15.8251 -5.6658 -5.6658 -5.6428 -5.6428 -4.2527 -4.2527 -3.7078 -3.7078 -3.4835 -3.4835 -3.4519 -3.4519 -3.3375 -3.3375 0.7649 0.7649 3.7969 3.7969 3.9715 3.9715 4.6906 4.6906 5.3615 5.3615 5.7993 5.7993 6.0416 6.0416 8.5383 8.5383 8.6334 8.6334 8.7680 8.7680 9.2607 9.2607 k = 0.1186-0.2016-0.3860 ( 4815 PWs) bands (ev): -36.2966 -36.2966 -17.2776 -17.2776 -15.8532 -15.8532 -15.8265 -15.8265 -5.6657 -5.6657 -5.6430 -5.6430 -4.2266 -4.2266 -3.7141 -3.7141 -3.4825 -3.4825 -3.4514 -3.4514 -3.3283 -3.3283 0.7937 0.7937 3.7591 3.7591 3.9102 3.9102 4.6853 4.6853 5.3344 5.3344 5.7518 5.7518 6.0233 6.0233 8.5201 8.5201 8.6349 8.6349 8.7740 8.7740 9.2486 9.2486 k = 0.1256-0.2135-0.4087 ( 4805 PWs) bands (ev): -36.2965 -36.2965 -17.2783 -17.2783 -15.8536 -15.8536 -15.8279 -15.8279 -5.6656 -5.6656 -5.6433 -5.6433 -4.1997 -4.1997 -3.7201 -3.7201 -3.4813 -3.4813 -3.4509 -3.4509 -3.3193 -3.3193 0.8231 0.8231 3.7228 3.7228 3.8503 3.8503 4.6780 4.6780 5.3045 5.3045 5.7036 5.7036 6.0005 6.0005 8.5025 8.5025 8.6372 8.6372 8.7802 8.7802 9.2519 9.2519 k = 0.1325-0.2253-0.4314 ( 4807 PWs) bands (ev): -36.2964 -36.2964 -17.2790 -17.2790 -15.8542 -15.8542 -15.8292 -15.8292 -5.6655 -5.6655 -5.6435 -5.6435 -4.1721 -4.1721 -3.7258 -3.7258 -3.4802 -3.4802 -3.4502 -3.4502 -3.3106 -3.3106 0.8530 0.8530 3.6881 3.6881 3.7929 3.7929 4.6680 4.6680 5.2724 5.2724 5.6554 5.6554 5.9725 5.9725 8.4873 8.4873 8.6403 8.6403 8.7849 8.7849 9.2706 9.2706 k = 0.1395-0.2372-0.4542 ( 4809 PWs) bands (ev): -36.2963 -36.2963 -17.2797 -17.2797 -15.8547 -15.8547 -15.8305 -15.8305 -5.6654 -5.6654 -5.6438 -5.6438 -4.1438 -4.1438 -3.7312 -3.7312 -3.4790 -3.4790 -3.4495 -3.4495 -3.3023 -3.3023 0.8830 0.8830 3.6546 3.6546 3.7390 3.7390 4.6547 4.6547 5.2388 5.2388 5.6077 5.6077 5.9394 5.9394 8.4755 8.4755 8.6438 8.6438 8.7888 8.7888 9.3028 9.3028 k = 0.1465-0.2490-0.4769 ( 4815 PWs) bands (ev): -36.2962 -36.2962 -17.2804 -17.2804 -15.8554 -15.8554 -15.8318 -15.8318 -5.6653 -5.6653 -5.6441 -5.6441 -4.1151 -4.1151 -3.7362 -3.7362 -3.4778 -3.4778 -3.4487 -3.4487 -3.2943 -3.2943 0.9129 0.9129 3.6217 3.6217 3.6898 3.6898 4.6372 4.6372 5.2041 5.2041 5.5611 5.5611 5.9015 5.9015 8.4670 8.4670 8.6477 8.6477 8.7937 8.7937 9.3460 9.3460 k = 0.1535-0.2609-0.4996 ( 4823 PWs) bands (ev): -36.2961 -36.2961 -17.2811 -17.2811 -15.8561 -15.8561 -15.8331 -15.8331 -5.6652 -5.6652 -5.6444 -5.6444 -4.0861 -4.0861 -3.7408 -3.7408 -3.4766 -3.4766 -3.4477 -3.4477 -3.2867 -3.2867 0.9424 0.9424 3.5884 3.5884 3.6472 3.6472 4.6150 4.6150 5.1689 5.1689 5.5163 5.5163 5.8592 5.8592 8.4616 8.4616 8.6519 8.6519 8.8013 8.8013 9.3973 9.3973 k = 0.1604-0.2728-0.5223 ( 4817 PWs) bands (ev): -36.2960 -36.2960 -17.2817 -17.2817 -15.8568 -15.8568 -15.8343 -15.8343 -5.6651 -5.6651 -5.6446 -5.6446 -4.0570 -4.0570 -3.7451 -3.7451 -3.4752 -3.4752 -3.4466 -3.4466 -3.2795 -3.2795 0.9714 0.9714 3.5541 3.5541 3.6121 3.6121 4.5877 4.5877 5.1333 5.1333 5.4738 5.4738 5.8133 5.8133 8.4587 8.4587 8.6569 8.6569 8.8126 8.8126 9.4539 9.4539 k = 0.1674-0.2846-0.5450 ( 4821 PWs) bands (ev): -36.2959 -36.2959 -17.2824 -17.2824 -15.8575 -15.8575 -15.8354 -15.8354 -5.6650 -5.6650 -5.6449 -5.6449 -4.0280 -4.0280 -3.7490 -3.7490 -3.4739 -3.4739 -3.4452 -3.4452 -3.2728 -3.2728 0.9994 0.9994 3.5200 3.5200 3.5838 3.5838 4.5550 4.5550 5.0975 5.0975 5.4340 5.4340 5.7643 5.7643 8.4576 8.4576 8.6631 8.6631 8.8280 8.8280 9.5133 9.5133 k = 0.1744-0.2965-0.5677 ( 4823 PWs) bands (ev): -36.2958 -36.2958 -17.2831 -17.2831 -15.8583 -15.8583 -15.8365 -15.8365 -5.6650 -5.6650 -5.6452 -5.6452 -3.9992 -3.9992 -3.7525 -3.7525 -3.4725 -3.4725 -3.4436 -3.4436 -3.2666 -3.2666 1.0263 1.0263 3.4883 3.4883 3.5608 3.5608 4.5169 4.5169 5.0615 5.0615 5.3973 5.3973 5.7133 5.7133 8.4577 8.4577 8.6711 8.6711 8.8473 8.8473 9.5725 9.5725 k = 0.1814-0.3083-0.5904 ( 4827 PWs) bands (ev): -36.2957 -36.2957 -17.2838 -17.2838 -15.8591 -15.8591 -15.8375 -15.8375 -5.6649 -5.6649 -5.6454 -5.6454 -3.9710 -3.9710 -3.7557 -3.7557 -3.4710 -3.4710 -3.4417 -3.4417 -3.2608 -3.2608 1.0519 1.0519 3.4605 3.4605 3.5416 3.5416 4.4738 4.4738 5.0252 5.0252 5.3638 5.3638 5.6608 5.6608 8.4586 8.4586 8.6810 8.6810 8.8700 8.8700 9.6281 9.6281 k = 0.1883-0.3202-0.6131 ( 4831 PWs) bands (ev): -36.2956 -36.2956 -17.2845 -17.2845 -15.8599 -15.8599 -15.8385 -15.8385 -5.6648 -5.6648 -5.6457 -5.6457 -3.9435 -3.9435 -3.7583 -3.7583 -3.4695 -3.4695 -3.4394 -3.4394 -3.2556 -3.2556 1.0758 1.0758 3.4376 3.4376 3.5256 3.5256 4.4261 4.4261 4.9886 4.9886 5.3332 5.3332 5.6080 5.6080 8.4598 8.4598 8.6929 8.6929 8.8956 8.8956 9.6749 9.6749 k = 0.1953-0.3321-0.6358 ( 4821 PWs) bands (ev): -36.2955 -36.2955 -17.2851 -17.2851 -15.8606 -15.8606 -15.8395 -15.8395 -5.6647 -5.6647 -5.6459 -5.6459 -3.9170 -3.9170 -3.7605 -3.7605 -3.4680 -3.4680 -3.4366 -3.4366 -3.2508 -3.2508 1.0980 1.0980 3.4202 3.4202 3.5122 3.5122 4.3745 4.3745 4.9520 4.9520 5.3048 5.3048 5.5558 5.5558 8.4613 8.4613 8.7063 8.7063 8.9233 8.9233 9.7043 9.7043 k = 0.2023-0.3439-0.6585 ( 4819 PWs) bands (ev): -36.2954 -36.2954 -17.2857 -17.2857 -15.8614 -15.8614 -15.8404 -15.8404 -5.6646 -5.6646 -5.6462 -5.6462 -3.8918 -3.8918 -3.7622 -3.7622 -3.4665 -3.4665 -3.4332 -3.4332 -3.2466 -3.2466 1.1184 1.1184 3.4085 3.4085 3.5012 3.5012 4.3198 4.3198 4.9155 4.9155 5.2776 5.2776 5.5052 5.5052 8.4630 8.4630 8.7203 8.7203 8.9521 8.9521 9.7063 9.7063 k = 0.2093-0.3558-0.6812 ( 4827 PWs) bands (ev): -36.2953 -36.2953 -17.2863 -17.2863 -15.8621 -15.8621 -15.8413 -15.8413 -5.6645 -5.6645 -5.6464 -5.6464 -3.8682 -3.8682 -3.7634 -3.7634 -3.4651 -3.4651 -3.4291 -3.4291 -3.2430 -3.2430 1.1368 1.1368 3.4024 3.4024 3.4925 3.4925 4.2630 4.2630 4.8793 4.8793 5.2502 5.2502 5.4576 5.4576 8.4651 8.4651 8.7340 8.7340 8.9806 8.9806 9.6831 9.6831 k = 0.2162-0.3676-0.7039 ( 4829 PWs) bands (ev): -36.2952 -36.2952 -17.2869 -17.2869 -15.8627 -15.8627 -15.8422 -15.8422 -5.6644 -5.6644 -5.6467 -5.6467 -3.8465 -3.8465 -3.7638 -3.7638 -3.4638 -3.4638 -3.4242 -3.4242 -3.2399 -3.2399 1.1534 1.1534 3.4016 3.4016 3.4860 3.4860 4.2049 4.2049 4.8438 4.8438 5.2214 5.2214 5.4143 5.4143 8.4675 8.4675 8.7465 8.7465 9.0071 9.0071 9.6489 9.6489 k = 0.2232-0.3795-0.7266 ( 4825 PWs) bands (ev): -36.2951 -36.2951 -17.2874 -17.2874 -15.8633 -15.8633 -15.8431 -15.8431 -5.6643 -5.6643 -5.6469 -5.6469 -3.8271 -3.8271 -3.7632 -3.7632 -3.4625 -3.4625 -3.4184 -3.4184 -3.2373 -3.2373 1.1681 1.1681 3.4056 3.4056 3.4817 3.4817 4.1467 4.1467 4.8091 4.8091 5.1901 5.1901 5.3763 5.3763 8.4702 8.4702 8.7568 8.7568 9.0294 9.0294 9.6150 9.6150 k = 0.2302-0.3914-0.7494 ( 4823 PWs) bands (ev): -36.2950 -36.2950 -17.2879 -17.2879 -15.8638 -15.8638 -15.8439 -15.8439 -5.6641 -5.6641 -5.6472 -5.6472 -3.8108 -3.8108 -3.7613 -3.7613 -3.4613 -3.4613 -3.4117 -3.4117 -3.2354 -3.2354 1.1810 1.1810 3.4132 3.4132 3.4798 3.4798 4.0894 4.0894 4.7752 4.7752 5.1560 5.1560 5.3439 5.3439 8.4726 8.4726 8.7639 8.7639 9.0450 9.0450 9.5884 9.5884 k = 0.2372-0.4032-0.7721 ( 4831 PWs) bands (ev): -36.2950 -36.2950 -17.2884 -17.2884 -15.8643 -15.8643 -15.8447 -15.8447 -5.6640 -5.6640 -5.6474 -5.6474 -3.7981 -3.7981 -3.7575 -3.7575 -3.4603 -3.4603 -3.4041 -3.4041 -3.2340 -3.2340 1.1924 1.1924 3.4227 3.4227 3.4810 3.4810 4.0345 4.0345 4.7423 4.7423 5.1200 5.1200 5.3165 5.3165 8.4743 8.4743 8.7673 8.7673 9.0526 9.0526 9.5730 9.5730 k = 0.2441-0.4151-0.7948 ( 4837 PWs) bands (ev): -36.2949 -36.2949 -17.2888 -17.2888 -15.8647 -15.8647 -15.8456 -15.8456 -5.6639 -5.6639 -5.6477 -5.6477 -3.7893 -3.7893 -3.7514 -3.7514 -3.4594 -3.4594 -3.3956 -3.3956 -3.2331 -3.2331 1.2023 1.2023 3.4316 3.4316 3.4859 3.4859 3.9836 3.9836 4.7101 4.7101 5.0832 5.0832 5.2931 5.2931 8.4741 8.4741 8.7669 8.7669 9.0524 9.0524 9.5695 9.5695 k = 0.2511-0.4269-0.8175 ( 4835 PWs) bands (ev): -36.2948 -36.2948 -17.2892 -17.2892 -15.8649 -15.8649 -15.8464 -15.8464 -5.6637 -5.6637 -5.6479 -5.6479 -3.7838 -3.7838 -3.7440 -3.7440 -3.4585 -3.4585 -3.3863 -3.3863 -3.2329 -3.2329 1.2110 1.2110 3.4382 3.4382 3.4942 3.4942 3.9391 3.9391 4.6786 4.6786 5.0475 5.0475 5.2724 5.2724 8.4704 8.4704 8.7634 8.7634 9.0467 9.0467 9.5754 9.5754 k = 0.2581-0.4388-0.8402 ( 4835 PWs) bands (ev): -36.2948 -36.2948 -17.2896 -17.2896 -15.8651 -15.8651 -15.8472 -15.8472 -5.6635 -5.6635 -5.6482 -5.6482 -3.7802 -3.7802 -3.7365 -3.7365 -3.4578 -3.4578 -3.3763 -3.3763 -3.2332 -3.2332 1.2186 1.2186 3.4419 3.4419 3.5030 3.5030 3.9040 3.9040 4.6474 4.6474 5.0140 5.0140 5.2536 5.2536 8.4613 8.4613 8.7587 8.7587 9.0384 9.0384 9.5857 9.5857 k = 0.2651-0.4507-0.8629 ( 4837 PWs) bands (ev): -36.2947 -36.2947 -17.2899 -17.2899 -15.8652 -15.8652 -15.8481 -15.8481 -5.6633 -5.6633 -5.6484 -5.6484 -3.7774 -3.7774 -3.7299 -3.7299 -3.4572 -3.4572 -3.3659 -3.3659 -3.2340 -3.2340 1.2254 1.2254 3.4433 3.4433 3.5082 3.5082 3.8815 3.8815 4.6166 4.6166 4.9838 4.9838 5.2358 5.2358 8.4451 8.4451 8.7555 8.7555 9.0300 9.0300 9.5941 9.5941 k = 0.2720-0.4625-0.8856 ( 4839 PWs) bands (ev): -36.2947 -36.2947 -17.2902 -17.2902 -15.8653 -15.8653 -15.8489 -15.8489 -5.6631 -5.6631 -5.6487 -5.6487 -3.7749 -3.7749 -3.7246 -3.7246 -3.4566 -3.4566 -3.3551 -3.3551 -3.2355 -3.2355 1.2313 1.2313 3.4426 3.4426 3.5066 3.5066 3.8746 3.8746 4.5858 4.5858 4.9577 4.9577 5.2189 5.2189 8.4211 8.4211 8.7556 8.7556 9.0228 9.0228 9.5949 9.5949 k = 0.2790-0.4744-0.9083 ( 4851 PWs) bands (ev): -36.2946 -36.2946 -17.2905 -17.2905 -15.8652 -15.8652 -15.8497 -15.8497 -5.6630 -5.6630 -5.6489 -5.6489 -3.7726 -3.7726 -3.7206 -3.7206 -3.4562 -3.4562 -3.3442 -3.3442 -3.2375 -3.2375 1.2365 1.2365 3.4389 3.4389 3.4986 3.4986 3.8833 3.8833 4.5554 4.5554 4.9360 4.9360 5.2025 5.2025 8.3902 8.3902 8.7593 8.7593 9.0177 9.0177 9.5851 9.5851 k = 0.2860-0.4862-0.9310 ( 4851 PWs) bands (ev): -36.2946 -36.2946 -17.2907 -17.2907 -15.8651 -15.8651 -15.8504 -15.8504 -5.6628 -5.6628 -5.6491 -5.6491 -3.7701 -3.7701 -3.7180 -3.7180 -3.4558 -3.4558 -3.3334 -3.3334 -3.2400 -3.2400 1.2411 1.2411 3.4300 3.4300 3.4883 3.4883 3.9051 3.9051 4.5256 4.5256 4.9187 4.9187 5.1867 5.1867 8.3542 8.3542 8.7657 8.7657 9.0155 9.0155 9.5655 9.5655 k = 0.2930-0.4981-0.9537 ( 4847 PWs) bands (ev): -36.2946 -36.2946 -17.2909 -17.2909 -15.8649 -15.8649 -15.8512 -15.8512 -5.6626 -5.6626 -5.6493 -5.6493 -3.7676 -3.7676 -3.7166 -3.7166 -3.4555 -3.4555 -3.3228 -3.3228 -3.2431 -3.2431 1.2450 1.2450 3.4145 3.4145 3.4806 3.4806 3.9362 3.9362 4.4969 4.4969 4.9057 4.9057 5.1716 5.1716 8.3155 8.3155 8.7723 8.7723 9.0171 9.0171 9.5387 9.5387 k = 0.2999-0.5100-0.9764 ( 4845 PWs) bands (ev): -36.2946 -36.2946 -17.2911 -17.2911 -15.8646 -15.8646 -15.8519 -15.8519 -5.6624 -5.6624 -5.6495 -5.6495 -3.7650 -3.7650 -3.7163 -3.7163 -3.4552 -3.4552 -3.3127 -3.3127 -3.2467 -3.2467 1.2481 1.2481 3.3943 3.3943 3.4764 3.4764 3.9729 3.9729 4.4702 4.4702 4.8964 4.8964 5.1575 5.1575 8.2762 8.2762 8.7763 8.7763 9.0240 9.0240 9.5075 9.5075 k = 0.3069-0.5218-0.9991 ( 4847 PWs) bands (ev): -36.2945 -36.2945 -17.2912 -17.2912 -15.8643 -15.8643 -15.8525 -15.8525 -5.6623 -5.6623 -5.6497 -5.6497 -3.7623 -3.7623 -3.7168 -3.7168 -3.4550 -3.4550 -3.3031 -3.3031 -3.2507 -3.2507 1.2503 1.2503 3.3730 3.3730 3.4742 3.4742 4.0119 4.0119 4.4466 4.4466 4.8901 4.8901 5.1446 5.1446 8.2379 8.2379 8.7754 8.7754 9.0372 9.0372 9.4746 9.4746 k = 0.3139-0.5337-1.0218 ( 4841 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8640 -15.8640 -15.8531 -15.8531 -5.6622 -5.6622 -5.6498 -5.6498 -3.7598 -3.7598 -3.7180 -3.7180 -3.4548 -3.4548 -3.2942 -3.2942 -3.2553 -3.2553 1.2516 1.2516 3.3531 3.3531 3.4730 3.4730 4.0505 4.0505 4.4276 4.4276 4.8861 4.8861 5.1334 5.1334 8.2021 8.2021 8.7681 8.7681 9.0569 9.0569 9.4419 9.4419 k = 0.3209-0.5455-1.0446 ( 4843 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8638 -15.8638 -15.8535 -15.8535 -5.6621 -5.6621 -5.6499 -5.6499 -3.7576 -3.7576 -3.7195 -3.7195 -3.4547 -3.4547 -3.2862 -3.2862 -3.2601 -3.2601 1.2518 1.2518 3.3363 3.3363 3.4720 3.4720 4.0857 4.0857 4.4150 4.4150 4.8836 4.8836 5.1245 5.1245 8.1698 8.1698 8.7542 8.7542 9.0824 9.0824 9.4115 9.4115 k = 0.3278-0.5574-1.0673 ( 4847 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8636 -15.8636 -15.8538 -15.8538 -5.6620 -5.6620 -5.6500 -5.6500 -3.7561 -3.7561 -3.7207 -3.7207 -3.4547 -3.4547 -3.2795 -3.2795 -3.2648 -3.2648 1.2506 1.2506 3.3236 3.3236 3.4710 3.4710 4.1149 4.1149 4.4111 4.4111 4.8817 4.8817 5.1182 5.1182 8.1417 8.1417 8.7342 8.7342 9.1120 9.1120 9.3849 9.3849 k = 0.3348-0.5693-1.0900 ( 4851 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8636 -15.8636 -15.8538 -15.8538 -5.6620 -5.6620 -5.6500 -5.6500 -3.7558 -3.7558 -3.7211 -3.7211 -3.4547 -3.4547 -3.2769 -3.2769 -3.2666 -3.2666 1.2481 1.2481 3.3154 3.3154 3.4697 3.4697 4.1359 4.1359 4.4174 4.4174 4.8797 4.8797 5.1148 5.1148 8.1185 8.1185 8.7090 8.7090 9.1436 9.1436 9.3639 9.3639 k = 0.3418-0.5811-1.1127 ( 4849 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8637 -15.8637 -15.8537 -15.8537 -5.6621 -5.6621 -5.6500 -5.6500 -3.7572 -3.7572 -3.7201 -3.7201 -3.4547 -3.4547 -3.2810 -3.2810 -3.2629 -3.2629 1.2442 1.2442 3.3120 3.3120 3.4680 3.4680 4.1485 4.1485 4.4339 4.4339 4.8771 4.8771 5.1146 5.1146 8.1003 8.1003 8.6800 8.6800 9.1744 9.1744 9.3502 9.3502 k = 0.6582-0.4450-1.0302 ( 4849 PWs) bands (ev): -36.2945 -36.2945 -17.2914 -17.2914 -15.8637 -15.8637 -15.8537 -15.8537 -5.6621 -5.6621 -5.6500 -5.6500 -3.7572 -3.7572 -3.7201 -3.7201 -3.4547 -3.4547 -3.2810 -3.2810 -3.2629 -3.2629 1.2442 1.2442 3.3120 3.3120 3.4680 3.4680 4.1485 4.1485 4.4339 4.4339 4.8771 4.8771 5.1146 5.1146 8.1003 8.1003 8.6800 8.6800 9.1744 9.1744 9.3502 9.3502 k = 0.6513-0.4197-1.0302 ( 4845 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8639 -15.8639 -15.8533 -15.8533 -5.6622 -5.6622 -5.6499 -5.6499 -3.7601 -3.7601 -3.7177 -3.7177 -3.4548 -3.4548 -3.2873 -3.2873 -3.2581 -3.2581 1.2388 1.2388 3.3133 3.3133 3.4659 3.4659 4.1546 4.1546 4.4580 4.4580 4.8738 4.8738 5.1173 5.1173 8.0874 8.0874 8.6486 8.6486 9.2004 9.2004 9.3462 9.3462 k = 0.6445-0.3944-1.0302 ( 4847 PWs) bands (ev): -36.2945 -36.2945 -17.2913 -17.2913 -15.8643 -15.8643 -15.8527 -15.8527 -5.6623 -5.6623 -5.6498 -5.6498 -3.7645 -3.7645 -3.7141 -3.7141 -3.4549 -3.4549 -3.2943 -3.2943 -3.2536 -3.2536 1.2319 1.2319 3.3189 3.3189 3.4636 3.4636 4.1569 4.1569 4.4870 4.4870 4.8699 4.8699 5.1225 5.1225 8.0796 8.0796 8.6157 8.6157 9.2188 9.2188 9.3528 9.3528 k = 0.6376-0.3692-1.0302 ( 4841 PWs) bands (ev): -36.2945 -36.2945 -17.2912 -17.2912 -15.8648 -15.8648 -15.8520 -15.8520 -5.6625 -5.6625 -5.6497 -5.6497 -3.7698 -3.7698 -3.7095 -3.7095 -3.4551 -3.4551 -3.3019 -3.3019 -3.2497 -3.2497 1.2236 1.2236 3.3282 3.3282 3.4614 3.4614 4.1581 4.1581 4.5184 4.5184 4.8655 4.8655 5.1297 5.1297 8.0763 8.0763 8.5823 8.5823 9.2287 9.2287 9.3677 9.3677 k = 0.6307-0.3439-1.0302 ( 4841 PWs) bands (ev): -36.2945 -36.2945 -17.2911 -17.2911 -15.8654 -15.8654 -15.8512 -15.8512 -5.6627 -5.6627 -5.6495 -5.6495 -3.7759 -3.7759 -3.7041 -3.7041 -3.4553 -3.4553 -3.3098 -3.3098 -3.2462 -3.2462 1.2139 1.2139 3.3401 3.3401 3.4599 3.4599 4.1597 4.1597 4.5505 4.5505 4.8611 4.8611 5.1380 5.1380 8.0770 8.0770 8.5494 8.5494 9.2327 9.2327 9.3835 9.3835 k = 0.6238-0.3187-1.0302 ( 4841 PWs) bands (ev): -36.2946 -36.2946 -17.2910 -17.2910 -15.8660 -15.8660 -15.8502 -15.8502 -5.6629 -5.6629 -5.6493 -5.6493 -3.7824 -3.7824 -3.6982 -3.6982 -3.4555 -3.4555 -3.3181 -3.3181 -3.2433 -3.2433 1.2031 1.2031 3.3528 3.3528 3.4604 3.4604 4.1630 4.1630 4.5822 4.5822 4.8569 4.8569 5.1470 5.1470 8.0808 8.0808 8.5179 8.5179 9.2324 9.2324 9.3924 9.3924 k = 0.6169-0.2934-1.0302 ( 4841 PWs) bands (ev): -36.2946 -36.2946 -17.2909 -17.2909 -15.8666 -15.8666 -15.8492 -15.8492 -5.6632 -5.6632 -5.6491 -5.6491 -3.7892 -3.7892 -3.6918 -3.6918 -3.4557 -3.4557 -3.3267 -3.3267 -3.2409 -3.2409 1.1913 1.1913 3.3640 3.3640 3.4649 3.4649 4.1685 4.1685 4.6128 4.6128 4.8531 4.8531 5.1558 5.1558 8.0866 8.0866 8.4884 8.4884 9.2272 9.2272 9.3918 9.3918 k = 0.6101-0.2681-1.0302 ( 4841 PWs) bands (ev): -36.2946 -36.2946 -17.2908 -17.2908 -15.8673 -15.8673 -15.8482 -15.8482 -5.6635 -5.6635 -5.6488 -5.6488 -3.7962 -3.7962 -3.6850 -3.6850 -3.4560 -3.4560 -3.3355 -3.3355 -3.2389 -3.2389 1.1786 1.1786 3.3708 3.3708 3.4755 3.4755 4.1767 4.1767 4.6424 4.6424 4.8499 4.8499 5.1640 5.1640 8.0928 8.0928 8.4612 8.4612 9.2151 9.2151 9.3872 9.3872 k = 0.6032-0.2429-1.0302 ( 4851 PWs) bands (ev): -36.2946 -36.2946 -17.2906 -17.2906 -15.8679 -15.8679 -15.8472 -15.8472 -5.6638 -5.6638 -5.6486 -5.6486 -3.8033 -3.8033 -3.6779 -3.6779 -3.4563 -3.4563 -3.3446 -3.3446 -3.2372 -3.2372 1.1654 1.1654 3.3722 3.3722 3.4927 3.4927 4.1877 4.1877 4.6707 4.6707 4.8475 4.8475 5.1712 5.1712 8.0983 8.0983 8.4357 8.4357 9.1957 9.1957 9.3863 9.3863 k = 0.5963-0.2176-1.0302 ( 4853 PWs) bands (ev): -36.2946 -36.2946 -17.2905 -17.2905 -15.8686 -15.8686 -15.8461 -15.8461 -5.6642 -5.6642 -5.6483 -5.6483 -3.8103 -3.8103 -3.6705 -3.6705 -3.4567 -3.4567 -3.3539 -3.3539 -3.2359 -3.2359 1.1517 1.1517 3.3694 3.3694 3.5146 3.5146 4.2016 4.2016 4.6978 4.6978 4.8460 4.8460 5.1769 5.1769 8.1017 8.1017 8.4107 8.4107 9.1727 9.1727 9.3925 9.3925 k = 0.5894-0.1923-1.0302 ( 4853 PWs) bands (ev): -36.2947 -36.2947 -17.2904 -17.2904 -15.8692 -15.8692 -15.8451 -15.8451 -5.6645 -5.6645 -5.6480 -5.6480 -3.8172 -3.8172 -3.6627 -3.6627 -3.4571 -3.4571 -3.3632 -3.3632 -3.2349 -3.2349 1.1380 1.1380 3.3638 3.3638 3.5394 3.5394 4.2183 4.2183 4.7236 4.7236 4.8457 4.8457 5.1811 5.1811 8.1025 8.1025 8.3840 8.3840 9.1523 9.1523 9.4051 9.4051 k = 0.5826-0.1671-1.0302 ( 4853 PWs) bands (ev): -36.2947 -36.2947 -17.2903 -17.2903 -15.8698 -15.8698 -15.8441 -15.8441 -5.6648 -5.6648 -5.6478 -5.6478 -3.8239 -3.8239 -3.6548 -3.6548 -3.4576 -3.4576 -3.3727 -3.3727 -3.2342 -3.2342 1.1243 1.1243 3.3567 3.3567 3.5651 3.5651 4.2377 4.2377 4.7470 4.7470 4.8476 4.8476 5.1835 5.1835 8.1004 8.1004 8.3534 8.3534 9.1401 9.1401 9.4224 9.4224 k = 0.5757-0.1418-1.0302 ( 4853 PWs) bands (ev): -36.2947 -36.2947 -17.2901 -17.2901 -15.8704 -15.8704 -15.8431 -15.8431 -5.6651 -5.6651 -5.6475 -5.6475 -3.8303 -3.8303 -3.6466 -3.6466 -3.4582 -3.4582 -3.3821 -3.3821 -3.2336 -3.2336 1.1110 1.1110 3.3488 3.3488 3.5906 3.5906 4.2595 4.2595 4.7658 4.7658 4.8539 4.8539 5.1842 5.1842 8.0958 8.0958 8.3169 8.3169 9.1399 9.1399 9.4425 9.4425 k = 0.5688-0.1165-1.0302 ( 4851 PWs) bands (ev): -36.2947 -36.2947 -17.2900 -17.2900 -15.8709 -15.8709 -15.8421 -15.8421 -5.6655 -5.6655 -5.6473 -5.6473 -3.8365 -3.8365 -3.6384 -3.6384 -3.4589 -3.4589 -3.3914 -3.3914 -3.2332 -3.2332 1.0981 1.0981 3.3405 3.3405 3.6149 3.6149 4.2835 4.2835 4.7771 4.7771 4.8672 4.8672 5.1835 5.1835 8.0890 8.0890 8.2743 8.2743 9.1529 9.1529 9.4639 9.4639 k = 0.5619-0.0913-1.0302 ( 4849 PWs) bands (ev): -36.2948 -36.2948 -17.2899 -17.2899 -15.8714 -15.8714 -15.8413 -15.8413 -5.6658 -5.6658 -5.6470 -5.6470 -3.8422 -3.8422 -3.6300 -3.6300 -3.4598 -3.4598 -3.4005 -3.4005 -3.2330 -3.2330 1.0859 1.0859 3.3324 3.3324 3.6374 3.6374 4.3096 4.3096 4.7800 4.7800 4.8879 4.8879 5.1816 5.1816 8.0801 8.0801 8.2271 8.2271 9.1783 9.1783 9.4852 9.4852 k = 0.5550-0.0660-1.0302 ( 4847 PWs) bands (ev): -36.2948 -36.2948 -17.2898 -17.2898 -15.8718 -15.8718 -15.8405 -15.8405 -5.6660 -5.6660 -5.6468 -5.6468 -3.8475 -3.8475 -3.6216 -3.6216 -3.4610 -3.4610 -3.4092 -3.4092 -3.2328 -3.2328 1.0746 1.0746 3.3245 3.3245 3.6576 3.6576 4.3372 4.3372 4.7766 4.7766 4.9132 4.9132 5.1789 5.1789 8.0678 8.0678 8.1793 8.1793 9.2140 9.2140 9.5051 9.5051 k = 0.5482-0.0407-1.0302 ( 4833 PWs) bands (ev): -36.2948 -36.2948 -17.2897 -17.2897 -15.8722 -15.8722 -15.8397 -15.8397 -5.6663 -5.6663 -5.6466 -5.6466 -3.8522 -3.8522 -3.6132 -3.6132 -3.4626 -3.4626 -3.4173 -3.4173 -3.2327 -3.2327 1.0643 1.0643 3.3173 3.3173 3.6755 3.6755 4.3660 4.3660 4.7687 4.7687 4.9404 4.9404 5.1760 5.1760 8.0486 8.0486 8.1373 8.1373 9.2573 9.2573 9.5228 9.5228 k = 0.5413-0.0155-1.0302 ( 4829 PWs) bands (ev): -36.2948 -36.2948 -17.2896 -17.2896 -15.8726 -15.8726 -15.8391 -15.8391 -5.6665 -5.6665 -5.6464 -5.6464 -3.8565 -3.8565 -3.6051 -3.6051 -3.4647 -3.4647 -3.4245 -3.4245 -3.2327 -3.2327 1.0551 1.0551 3.3107 3.3107 3.6907 3.6907 4.3955 4.3955 4.7576 4.7576 4.9671 4.9671 5.1734 5.1734 8.0175 8.0175 8.1089 8.1089 9.3052 9.3052 9.5377 9.5377 k = 0.5344 0.0098-1.0302 ( 4827 PWs) bands (ev): -36.2948 -36.2948 -17.2895 -17.2895 -15.8729 -15.8729 -15.8385 -15.8385 -5.6667 -5.6667 -5.6463 -5.6463 -3.8601 -3.8601 -3.5973 -3.5973 -3.4675 -3.4675 -3.4306 -3.4306 -3.2327 -3.2327 1.0471 1.0471 3.3049 3.3049 3.7034 3.7034 4.4251 4.4251 4.7440 4.7440 4.9916 4.9916 5.1716 5.1716 7.9781 7.9781 8.0933 8.0933 9.3549 9.3549 9.5497 9.5497 k = 0.5275 0.0351-1.0302 ( 4829 PWs) bands (ev): -36.2948 -36.2948 -17.2895 -17.2895 -15.8732 -15.8732 -15.8380 -15.8380 -5.6669 -5.6669 -5.6461 -5.6461 -3.8632 -3.8632 -3.5900 -3.5900 -3.4709 -3.4709 -3.4352 -3.4352 -3.2328 -3.2328 1.0404 1.0404 3.3001 3.3001 3.7135 3.7135 4.4539 4.4539 4.7286 4.7286 5.0125 5.0125 5.1712 5.1712 7.9385 7.9385 8.0844 8.0844 9.4035 9.4035 9.5592 9.5592 k = 0.5206 0.0603-1.0302 ( 4827 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8734 -15.8734 -15.8377 -15.8377 -5.6670 -5.6670 -5.6460 -5.6460 -3.8656 -3.8656 -3.5837 -3.5837 -3.4746 -3.4746 -3.4385 -3.4385 -3.2328 -3.2328 1.0352 1.0352 3.2962 3.2962 3.7213 3.7213 4.4809 4.4809 4.7122 4.7122 5.0287 5.0287 5.1721 5.1721 7.9042 7.9042 8.0790 8.0790 9.4479 9.4479 9.5671 9.5671 k = 0.5138 0.0856-1.0302 ( 4823 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8735 -15.8735 -15.8374 -15.8374 -5.6671 -5.6671 -5.6460 -5.6460 -3.8673 -3.8673 -3.5786 -3.5786 -3.4781 -3.4781 -3.4406 -3.4406 -3.2328 -3.2328 1.0314 1.0314 3.2935 3.2935 3.7267 3.7267 4.5042 4.5042 4.6967 4.6967 5.0399 5.0399 5.1738 5.1738 7.8780 7.8780 8.0757 8.0757 9.4840 9.4840 9.5745 9.5745 k = 0.5069 0.1109-1.0302 ( 4832 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8683 -3.8683 -3.5753 -3.5753 -3.4805 -3.4805 -3.4418 -3.4418 -3.2329 -3.2329 1.0291 1.0291 3.2918 3.2918 3.7299 3.7299 4.5209 4.5209 4.6847 4.6847 5.0462 5.0462 5.1755 5.1755 7.8616 7.8616 8.0738 8.0738 9.5074 9.5074 9.5816 9.5816 k = 0.5000 0.1361-1.0302 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8687 -3.8687 -3.5741 -3.5741 -3.4814 -3.4814 -3.4422 -3.4422 -3.2329 -3.2329 1.0283 1.0283 3.2912 3.2912 3.7310 3.7310 4.5272 4.5272 4.6800 4.6800 5.0483 5.0483 5.1762 5.1762 7.8560 7.8560 8.0732 8.0732 9.5152 9.5152 9.5852 9.5852 k = 0.5000 0.1361-1.0302 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8687 -3.8687 -3.5741 -3.5741 -3.4814 -3.4814 -3.4422 -3.4422 -3.2329 -3.2329 1.0283 1.0283 3.2912 3.2912 3.7310 3.7310 4.5272 4.5272 4.6800 4.6800 5.0483 5.0483 5.1762 5.1762 7.8560 7.8560 8.0732 8.0732 9.5152 9.5152 9.5852 9.5852 k = 0.5226 0.1423-1.0184 ( 4839 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8686 -3.8686 -3.5745 -3.5745 -3.4814 -3.4814 -3.4422 -3.4422 -3.2328 -3.2328 1.0290 1.0290 3.2874 3.2874 3.7319 3.7319 4.5285 4.5285 4.6818 4.6818 5.0448 5.0448 5.1799 5.1799 7.8541 7.8541 8.0778 8.0778 9.5126 9.5126 9.5850 9.5850 k = 0.5452 0.1484-1.0066 ( 4838 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8683 -3.8683 -3.5756 -3.5756 -3.4814 -3.4814 -3.4422 -3.4422 -3.2325 -3.2325 1.0310 1.0310 3.2762 3.2762 3.7348 3.7348 4.5317 4.5317 4.6878 4.6878 5.0352 5.0352 5.1903 5.1903 7.8490 7.8490 8.0909 8.0909 9.5048 9.5048 9.5843 9.5843 k = 0.5678 0.1546-0.9948 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6672 -5.6672 -5.6459 -5.6459 -3.8679 -3.8679 -3.5774 -3.5774 -3.4814 -3.4814 -3.4422 -3.4422 -3.2319 -3.2319 1.0342 1.0342 3.2582 3.2582 3.7398 3.7398 4.5345 4.5345 4.6989 4.6989 5.0215 5.0215 5.2060 5.2060 7.8419 7.8419 8.1110 8.1110 9.4916 9.4916 9.5832 9.5832 k = 0.5904 0.1608-0.9831 ( 4827 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6671 -5.6671 -5.6459 -5.6459 -3.8672 -3.8672 -3.5799 -3.5799 -3.4813 -3.4813 -3.4422 -3.4422 -3.2312 -3.2312 1.0388 1.0388 3.2343 3.2343 3.7469 3.7469 4.5342 4.5342 4.7161 4.7161 5.0056 5.0056 5.2258 5.2258 7.8344 7.8344 8.1363 8.1363 9.4733 9.4733 9.5819 9.5819 k = 0.6130 0.1669-0.9713 ( 4827 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6671 -5.6671 -5.6459 -5.6459 -3.8664 -3.8664 -3.5830 -3.5830 -3.4813 -3.4813 -3.4422 -3.4422 -3.2303 -3.2303 1.0445 1.0445 3.2056 3.2056 3.7564 3.7564 4.5291 4.5291 4.7384 4.7384 4.9894 4.9894 5.2493 5.2493 7.8275 7.8275 8.1654 8.1654 9.4503 9.4503 9.5803 9.5803 k = 0.6356 0.1731-0.9595 ( 4823 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8734 -15.8734 -15.8372 -15.8372 -5.6670 -5.6670 -5.6458 -5.6458 -3.8655 -3.8655 -3.5868 -3.5868 -3.4813 -3.4813 -3.4422 -3.4422 -3.2292 -3.2292 1.0513 1.0513 3.1734 3.1734 3.7683 3.7683 4.5186 4.5186 4.7628 4.7628 4.9753 4.9753 5.2767 5.2767 7.8219 7.8219 8.1968 8.1968 9.4234 9.4234 9.5783 9.5783 k = 0.6582 0.1792-0.9477 ( 4822 PWs) bands (ev): -36.2949 -36.2949 -17.2892 -17.2892 -15.8733 -15.8733 -15.8372 -15.8372 -5.6670 -5.6670 -5.6458 -5.6458 -3.8643 -3.8643 -3.5913 -3.5913 -3.4813 -3.4813 -3.4422 -3.4422 -3.2279 -3.2279 1.0591 1.0591 3.1387 3.1387 3.7827 3.7827 4.5030 4.5030 4.7845 4.7845 4.9668 4.9668 5.3079 5.3079 7.8181 7.8181 8.2295 8.2295 9.3937 9.3937 9.5760 9.5760 k = 0.6582 0.1792-0.9477 ( 4822 PWs) bands (ev): -36.2949 -36.2949 -17.2892 -17.2892 -15.8733 -15.8733 -15.8372 -15.8372 -5.6670 -5.6670 -5.6458 -5.6458 -3.8643 -3.8643 -3.5913 -3.5913 -3.4813 -3.4813 -3.4422 -3.4422 -3.2279 -3.2279 1.0591 1.0591 3.1387 3.1387 3.7827 3.7827 4.5030 4.5030 4.7845 4.7845 4.9668 4.9668 5.3079 5.3079 7.8181 7.8181 8.2295 8.2295 9.3937 9.3937 9.5760 9.5760 k = 0.6542 0.1781-0.9213 ( 4824 PWs) bands (ev): -36.2949 -36.2949 -17.2891 -17.2891 -15.8730 -15.8730 -15.8371 -15.8371 -5.6670 -5.6670 -5.6458 -5.6458 -3.8682 -3.8682 -3.5899 -3.5899 -3.4812 -3.4812 -3.4421 -3.4421 -3.2336 -3.2336 1.0541 1.0541 3.1307 3.1307 3.8441 3.8441 4.5134 4.5134 4.7767 4.7767 4.9576 4.9576 5.2819 5.2819 7.8114 7.8114 8.2394 8.2394 9.4057 9.4057 9.5729 9.5729 k = 0.6501 0.1770-0.8949 ( 4821 PWs) bands (ev): -36.2949 -36.2949 -17.2889 -17.2889 -15.8726 -15.8726 -15.8371 -15.8371 -5.6669 -5.6669 -5.6458 -5.6458 -3.8726 -3.8726 -3.5904 -3.5904 -3.4812 -3.4812 -3.4420 -3.4420 -3.2402 -3.2402 1.0495 1.0495 3.1272 3.1272 3.9045 3.9045 4.5234 4.5234 4.7664 4.7664 4.9523 4.9523 5.2623 5.2623 7.8069 7.8069 8.2511 8.2511 9.4189 9.4189 9.5614 9.5614 k = 0.6461 0.1759-0.8685 ( 4824 PWs) bands (ev): -36.2949 -36.2949 -17.2887 -17.2887 -15.8720 -15.8720 -15.8370 -15.8370 -5.6669 -5.6669 -5.6458 -5.6458 -3.8774 -3.8774 -3.5927 -3.5927 -3.4812 -3.4812 -3.4419 -3.4419 -3.2476 -3.2476 1.0452 1.0452 3.1288 3.1288 3.9626 3.9626 4.5317 4.5317 4.7556 4.7556 4.9501 4.9501 5.2500 5.2500 7.8047 7.8047 8.2653 8.2653 9.4306 9.4306 9.5476 9.5476 k = 0.6420 0.1748-0.8420 ( 4823 PWs) bands (ev): -36.2950 -36.2950 -17.2884 -17.2884 -15.8713 -15.8713 -15.8369 -15.8369 -5.6668 -5.6668 -5.6458 -5.6458 -3.8828 -3.8828 -3.5966 -3.5966 -3.4812 -3.4812 -3.4417 -3.4417 -3.2556 -3.2556 1.0410 1.0410 3.1359 3.1359 4.0166 4.0166 4.5368 4.5368 4.7472 4.7472 4.9500 4.9500 5.2453 5.2453 7.8053 7.8053 8.2827 8.2827 9.4368 9.4368 9.5363 9.5363 k = 0.6379 0.1737-0.8156 ( 4833 PWs) bands (ev): -36.2950 -36.2950 -17.2880 -17.2880 -15.8706 -15.8706 -15.8368 -15.8368 -5.6668 -5.6668 -5.6458 -5.6458 -3.8889 -3.8889 -3.6019 -3.6019 -3.4812 -3.4812 -3.4416 -3.4416 -3.2643 -3.2643 1.0370 1.0370 3.1487 3.1487 4.0645 4.0645 4.5380 4.5380 4.7441 4.7441 4.9512 4.9512 5.2487 5.2487 7.8091 7.8091 8.3036 8.3036 9.4337 9.4337 9.5302 9.5302 k = 0.6339 0.1726-0.7892 ( 4837 PWs) bands (ev): -36.2951 -36.2951 -17.2876 -17.2876 -15.8697 -15.8697 -15.8367 -15.8367 -5.6667 -5.6667 -5.6457 -5.6457 -3.8957 -3.8957 -3.6085 -3.6085 -3.4813 -3.4813 -3.4415 -3.4415 -3.2736 -3.2736 1.0330 1.0330 3.1674 3.1674 4.1040 4.1040 4.5358 4.5358 4.7474 4.7474 4.9538 4.9538 5.2600 5.2600 7.8161 7.8161 8.3286 8.3286 9.4217 9.4217 9.5280 9.5280 k = 0.6298 0.1715-0.7628 ( 4834 PWs) bands (ev): -36.2952 -36.2952 -17.2872 -17.2872 -15.8687 -15.8687 -15.8365 -15.8365 -5.6667 -5.6667 -5.6457 -5.6457 -3.9034 -3.9034 -3.6161 -3.6161 -3.4814 -3.4814 -3.4415 -3.4415 -3.2832 -3.2832 1.0289 1.0289 3.1921 3.1921 4.1326 4.1326 4.5325 4.5325 4.7567 4.7567 4.9585 4.9585 5.2791 5.2791 7.8265 7.8265 8.3579 8.3579 9.4044 9.4044 9.5250 9.5250 k = 0.6258 0.1704-0.7364 ( 4828 PWs) bands (ev): -36.2952 -36.2952 -17.2867 -17.2867 -15.8677 -15.8677 -15.8363 -15.8363 -5.6666 -5.6666 -5.6456 -5.6456 -3.9120 -3.9120 -3.6246 -3.6246 -3.4815 -3.4815 -3.4415 -3.4415 -3.2931 -3.2931 1.0247 1.0247 3.2226 3.2226 4.1486 4.1486 4.5308 4.5308 4.7699 4.7699 4.9667 4.9667 5.3055 5.3055 7.8404 7.8404 8.3919 8.3919 9.3847 9.3847 9.5183 9.5183 k = 0.6217 0.1693-0.7100 ( 4831 PWs) bands (ev): -36.2953 -36.2953 -17.2862 -17.2862 -15.8666 -15.8666 -15.8361 -15.8361 -5.6665 -5.6665 -5.6456 -5.6456 -3.9217 -3.9217 -3.6338 -3.6338 -3.4816 -3.4816 -3.4417 -3.4417 -3.3032 -3.3032 1.0202 1.0202 3.2587 3.2587 4.1520 4.1520 4.5318 4.5318 4.7843 4.7843 4.9802 4.9802 5.3388 5.3388 7.8574 7.8574 8.4307 8.4307 9.3644 9.3644 9.5071 9.5071 k = 0.6177 0.1682-0.6836 ( 4835 PWs) bands (ev): -36.2954 -36.2954 -17.2857 -17.2857 -15.8654 -15.8654 -15.8358 -15.8358 -5.6665 -5.6665 -5.6455 -5.6455 -3.9325 -3.9325 -3.6434 -3.6434 -3.4818 -3.4818 -3.4419 -3.4419 -3.3134 -3.3134 1.0156 1.0156 3.2996 3.2996 4.1448 4.1448 4.5353 4.5353 4.7972 4.7972 5.0010 5.0010 5.3786 5.3786 7.8773 7.8773 8.4742 8.4742 9.3445 9.3445 9.4919 9.4919 k = 0.6136 0.1671-0.6571 ( 4835 PWs) bands (ev): -36.2955 -36.2955 -17.2851 -17.2851 -15.8643 -15.8643 -15.8355 -15.8355 -5.6664 -5.6664 -5.6454 -5.6454 -3.9445 -3.9445 -3.6533 -3.6533 -3.4820 -3.4820 -3.4423 -3.4423 -3.3235 -3.3235 1.0109 1.0109 3.3446 3.3446 4.1303 4.1303 4.5398 4.5398 4.8070 4.8070 5.0295 5.0295 5.4246 5.4246 7.8997 7.8997 8.5224 8.5224 9.3255 9.3255 9.4740 9.4740 k = 0.6095 0.1660-0.6307 ( 4832 PWs) bands (ev): -36.2956 -36.2956 -17.2845 -17.2845 -15.8631 -15.8631 -15.8351 -15.8351 -5.6663 -5.6663 -5.6453 -5.6453 -3.9578 -3.9578 -3.6632 -3.6632 -3.4823 -3.4823 -3.4427 -3.4427 -3.3336 -3.3336 1.0061 1.0061 3.3923 3.3923 4.1124 4.1124 4.5439 4.5439 4.8133 4.8133 5.0652 5.0652 5.4765 5.4765 7.9243 7.9243 8.5749 8.5749 9.3079 9.3079 9.4549 9.4549 k = 0.6055 0.1649-0.6043 ( 4828 PWs) bands (ev): -36.2957 -36.2957 -17.2838 -17.2838 -15.8619 -15.8619 -15.8346 -15.8346 -5.6663 -5.6663 -5.6451 -5.6451 -3.9723 -3.9723 -3.6732 -3.6732 -3.4826 -3.4826 -3.4432 -3.4432 -3.3434 -3.3434 1.0012 1.0012 3.4405 3.4405 4.0951 4.0951 4.5468 4.5468 4.8166 4.8166 5.1066 5.1066 5.5340 5.5340 7.9504 7.9504 8.6307 8.6307 9.2918 9.2918 9.4360 9.4360 k = 0.6014 0.1638-0.5779 ( 4831 PWs) bands (ev): -36.2958 -36.2958 -17.2832 -17.2832 -15.8607 -15.8607 -15.8340 -15.8340 -5.6662 -5.6662 -5.6450 -5.6450 -3.9880 -3.9880 -3.6829 -3.6829 -3.4829 -3.4829 -3.4438 -3.4438 -3.3529 -3.3529 0.9964 0.9964 3.4864 3.4864 4.0828 4.0828 4.5480 4.5480 4.8177 4.8177 5.1520 5.1520 5.5966 5.5966 7.9777 7.9777 8.6887 8.6887 9.2770 9.2770 9.4195 9.4195 k = 0.5974 0.1626-0.5515 ( 4828 PWs) bands (ev): -36.2959 -36.2959 -17.2825 -17.2825 -15.8596 -15.8596 -15.8334 -15.8334 -5.6662 -5.6662 -5.6448 -5.6448 -4.0048 -4.0048 -3.6925 -3.6925 -3.4833 -3.4833 -3.4444 -3.4444 -3.3621 -3.3621 0.9917 0.9917 3.5259 3.5259 4.0802 4.0802 4.5477 4.5477 4.8173 4.8173 5.2002 5.2002 5.6639 5.6639 8.0057 8.0057 8.7469 8.7469 9.2627 9.2627 9.4081 9.4081 k = 0.5933 0.1615-0.5251 ( 4828 PWs) bands (ev): -36.2960 -36.2960 -17.2818 -17.2818 -15.8585 -15.8585 -15.8327 -15.8327 -5.6662 -5.6662 -5.6446 -5.6446 -4.0227 -4.0227 -3.7017 -3.7017 -3.4838 -3.4838 -3.4450 -3.4450 -3.3709 -3.3709 0.9871 0.9871 3.5546 3.5546 4.0922 4.0922 4.5462 4.5462 4.8157 4.8157 5.2504 5.2504 5.7353 5.7353 8.0340 8.0340 8.8026 8.8026 9.2475 9.2475 9.4052 9.4052 k = 0.5893 0.1604-0.4986 ( 4830 PWs) bands (ev): -36.2961 -36.2961 -17.2811 -17.2811 -15.8574 -15.8574 -15.8318 -15.8318 -5.6662 -5.6662 -5.6444 -5.6444 -4.0415 -4.0415 -3.7106 -3.7106 -3.4843 -3.4843 -3.4457 -3.4457 -3.3792 -3.3792 0.9829 0.9829 3.5692 3.5692 4.1220 4.1220 4.5438 4.5438 4.8133 4.8133 5.3019 5.3019 5.8103 5.8103 8.0622 8.0622 8.8529 8.8529 9.2298 9.2298 9.4144 9.4144 k = 0.5852 0.1593-0.4722 ( 4827 PWs) bands (ev): -36.2962 -36.2962 -17.2804 -17.2804 -15.8565 -15.8565 -15.8309 -15.8309 -5.6662 -5.6662 -5.6442 -5.6442 -4.0609 -4.0609 -3.7192 -3.7192 -3.4849 -3.4849 -3.4464 -3.4464 -3.3870 -3.3870 0.9790 0.9790 3.5697 3.5697 4.1695 4.1695 4.5413 4.5413 4.8104 4.8104 5.3546 5.3546 5.8881 5.8881 8.0902 8.0902 8.8949 8.8949 9.2088 9.2088 9.4375 9.4375 k = 0.5811 0.1582-0.4458 ( 4823 PWs) bands (ev): -36.2963 -36.2963 -17.2798 -17.2798 -15.8556 -15.8556 -15.8299 -15.8299 -5.6662 -5.6662 -5.6439 -5.6439 -4.0809 -4.0809 -3.7274 -3.7274 -3.4855 -3.4855 -3.4471 -3.4471 -3.3944 -3.3944 0.9754 0.9754 3.5582 3.5582 4.2312 4.2312 4.5399 4.5399 4.8071 4.8071 5.4083 5.4083 5.9683 5.9683 8.1177 8.1177 8.9268 8.9268 9.1847 9.1847 9.4730 9.4730 k = 0.5771 0.1571-0.4194 ( 4816 PWs) bands (ev): -36.2964 -36.2964 -17.2791 -17.2791 -15.8548 -15.8548 -15.8287 -15.8287 -5.6662 -5.6662 -5.6436 -5.6436 -4.1013 -4.1013 -3.7353 -3.7353 -3.4862 -3.4862 -3.4478 -3.4478 -3.4011 -3.4011 0.9723 0.9723 3.5382 3.5382 4.3013 4.3013 4.5421 4.5421 4.8037 4.8037 5.4629 5.4629 6.0502 6.0502 8.1445 8.1445 8.9486 8.9486 9.1584 9.1584 9.5158 9.5158 k = 0.5730 0.1560-0.3930 ( 4821 PWs) bands (ev): -36.2965 -36.2965 -17.2784 -17.2784 -15.8542 -15.8542 -15.8276 -15.8276 -5.6662 -5.6662 -5.6434 -5.6434 -4.1218 -4.1218 -3.7429 -3.7429 -3.4870 -3.4870 -3.4485 -3.4485 -3.4073 -3.4073 0.9697 0.9697 3.5128 3.5128 4.3704 4.3704 4.5540 4.5540 4.8005 4.8005 5.5185 5.5185 6.1333 6.1333 8.1705 8.1705 8.9606 8.9606 9.1314 9.1314 9.5576 9.5576 k = 0.5690 0.1549-0.3666 ( 4818 PWs) bands (ev): -36.2966 -36.2966 -17.2777 -17.2777 -15.8536 -15.8536 -15.8263 -15.8263 -5.6662 -5.6662 -5.6431 -5.6431 -4.1424 -4.1424 -3.7502 -3.7502 -3.4879 -3.4879 -3.4492 -3.4492 -3.4130 -3.4130 0.9675 0.9675 3.4841 3.4841 4.4218 4.4218 4.5893 4.5893 4.7982 4.7982 5.5751 5.5751 6.2171 6.2171 8.1956 8.1956 8.9629 8.9629 9.1059 9.1059 9.5886 9.5886 k = 0.5649 0.1538-0.3402 ( 4809 PWs) bands (ev): -36.2967 -36.2967 -17.2770 -17.2770 -15.8530 -15.8530 -15.8250 -15.8250 -5.6663 -5.6663 -5.6427 -5.6427 -4.1627 -4.1627 -3.7572 -3.7572 -3.4888 -3.4888 -3.4498 -3.4498 -3.4181 -3.4181 0.9657 0.9657 3.4537 3.4537 4.4456 4.4456 4.6543 4.6543 4.7985 4.7985 5.6328 5.6328 6.3010 6.3010 8.2197 8.2197 8.9540 8.9540 9.0853 9.0853 9.6013 9.6013 k = 0.5609 0.1527-0.3137 ( 4811 PWs) bands (ev): -36.2968 -36.2968 -17.2764 -17.2764 -15.8526 -15.8526 -15.8237 -15.8237 -5.6663 -5.6663 -5.6424 -5.6424 -4.1826 -4.1826 -3.7639 -3.7639 -3.4897 -3.4897 -3.4505 -3.4505 -3.4227 -3.4227 0.9644 0.9644 3.4227 3.4227 4.4522 4.4522 4.7267 4.7267 4.8120 4.8120 5.6916 5.6916 6.3845 6.3845 8.2428 8.2428 8.9326 8.9326 9.0722 9.0722 9.5937 9.5937 k = 0.5568 0.1516-0.2873 ( 4805 PWs) bands (ev): -36.2969 -36.2969 -17.2758 -17.2758 -15.8522 -15.8522 -15.8223 -15.8223 -5.6664 -5.6664 -5.6421 -5.6421 -4.2020 -4.2020 -3.7703 -3.7703 -3.4907 -3.4907 -3.4511 -3.4511 -3.4267 -3.4267 0.9635 0.9635 3.3919 3.3919 4.4517 4.4517 4.7600 4.7600 4.8736 4.8736 5.7516 5.7516 6.4673 6.4673 8.2649 8.2649 8.9005 8.9005 9.0658 9.0658 9.5681 9.5681 k = 0.5527 0.1505-0.2609 ( 4802 PWs) bands (ev): -36.2970 -36.2970 -17.2752 -17.2752 -15.8519 -15.8519 -15.8210 -15.8210 -5.6665 -5.6665 -5.6418 -5.6418 -4.2207 -4.2207 -3.7764 -3.7764 -3.4918 -3.4918 -3.4517 -3.4517 -3.4302 -3.4302 0.9630 0.9630 3.3618 3.3618 4.4484 4.4484 4.7646 4.7646 4.9677 4.9677 5.8129 5.8129 6.5487 6.5487 8.2860 8.2860 8.8611 8.8611 9.0634 9.0634 9.5282 9.5282 k = 0.5487 0.1494-0.2345 ( 4801 PWs) bands (ev): -36.2971 -36.2971 -17.2746 -17.2746 -15.8516 -15.8516 -15.8197 -15.8197 -5.6665 -5.6665 -5.6414 -5.6414 -4.2386 -4.2386 -3.7822 -3.7822 -3.4928 -3.4928 -3.4523 -3.4523 -3.4333 -3.4333 0.9629 0.9629 3.3329 3.3329 4.4438 4.4438 4.7636 4.7636 5.0681 5.0681 5.8757 5.8757 6.6283 6.6283 8.3062 8.3062 8.8171 8.8171 9.0624 9.0624 9.4771 9.4771 k = 0.5446 0.1483-0.2081 ( 4798 PWs) bands (ev): -36.2972 -36.2972 -17.2741 -17.2741 -15.8514 -15.8514 -15.8185 -15.8185 -5.6666 -5.6666 -5.6411 -5.6411 -4.2554 -4.2554 -3.7876 -3.7876 -3.4938 -3.4938 -3.4529 -3.4529 -3.4359 -3.4359 0.9630 0.9630 3.3054 3.3054 4.4388 4.4388 4.7612 4.7612 5.1686 5.1686 5.9401 5.9401 6.7057 6.7057 8.3253 8.3253 8.7707 8.7707 9.0609 9.0609 9.4175 9.4175 k = 0.5406 0.1472-0.1817 ( 4804 PWs) bands (ev): -36.2973 -36.2973 -17.2736 -17.2736 -15.8512 -15.8512 -15.8173 -15.8173 -5.6667 -5.6667 -5.6408 -5.6408 -4.2713 -4.2713 -3.7927 -3.7927 -3.4948 -3.4948 -3.4534 -3.4534 -3.4381 -3.4381 0.9634 0.9634 3.2797 3.2797 4.4336 4.4336 4.7585 4.7585 5.2664 5.2664 6.0062 6.0062 6.7802 6.7802 8.3432 8.3432 8.7231 8.7231 9.0569 9.0569 9.3523 9.3523 k = 0.5365 0.1461-0.1553 ( 4808 PWs) bands (ev): -36.2973 -36.2973 -17.2732 -17.2732 -15.8510 -15.8510 -15.8161 -15.8161 -5.6667 -5.6667 -5.6405 -5.6405 -4.2859 -4.2859 -3.7974 -3.7974 -3.4958 -3.4958 -3.4540 -3.4540 -3.4399 -3.4399 0.9640 0.9640 3.2559 3.2559 4.4287 4.4287 4.7558 4.7558 5.3593 5.3593 6.0739 6.0739 6.8514 6.8514 8.3599 8.3599 8.6755 8.6755 9.0473 9.0473 9.2860 9.2860 k = 0.5325 0.1450-0.1288 ( 4808 PWs) bands (ev): -36.2974 -36.2974 -17.2728 -17.2728 -15.8509 -15.8509 -15.8151 -15.8151 -5.6668 -5.6668 -5.6403 -5.6403 -4.2992 -4.2992 -3.8017 -3.8017 -3.4967 -3.4967 -3.4545 -3.4545 -3.4414 -3.4414 0.9646 0.9646 3.2342 3.2342 4.4240 4.4240 4.7533 4.7533 5.4458 5.4458 6.1428 6.1428 6.9187 6.9187 8.3750 8.3750 8.6291 8.6291 9.0271 9.0271 9.2256 9.2256 k = 0.5284 0.1439-0.1024 ( 4804 PWs) bands (ev): -36.2974 -36.2974 -17.2724 -17.2724 -15.8508 -15.8508 -15.8141 -15.8141 -5.6668 -5.6668 -5.6400 -5.6400 -4.3112 -4.3112 -3.8056 -3.8056 -3.4975 -3.4975 -3.4551 -3.4551 -3.4426 -3.4426 0.9654 0.9654 3.2148 3.2148 4.4196 4.4196 4.7509 4.7509 5.5242 5.5242 6.2123 6.2123 6.9816 6.9816 8.3881 8.3881 8.5848 8.5848 8.9897 8.9897 9.1799 9.1799 k = 0.5243 0.1428-0.0760 ( 4804 PWs) bands (ev): -36.2975 -36.2975 -17.2721 -17.2721 -15.8507 -15.8507 -15.8133 -15.8133 -5.6669 -5.6669 -5.6398 -5.6398 -4.3217 -4.3217 -3.8090 -3.8090 -3.4982 -3.4982 -3.4555 -3.4555 -3.4435 -3.4435 0.9662 0.9662 3.1977 3.1977 4.4158 4.4158 4.7488 4.7488 5.5934 5.5934 6.2808 6.2808 7.0393 7.0393 8.3986 8.3986 8.5436 8.5436 8.9353 8.9353 9.1519 9.1519 k = 0.5203 0.1417-0.0496 ( 4800 PWs) bands (ev): -36.2975 -36.2975 -17.2718 -17.2718 -15.8506 -15.8506 -15.8126 -15.8126 -5.6669 -5.6669 -5.6396 -5.6396 -4.3307 -4.3307 -3.8119 -3.8119 -3.4989 -3.4989 -3.4560 -3.4560 -3.4443 -3.4443 0.9670 0.9670 3.1831 3.1831 4.4125 4.4125 4.7471 4.7471 5.6526 5.6526 6.3465 6.3465 7.0911 7.0911 8.4058 8.4058 8.5066 8.5066 8.8732 8.8732 9.1360 9.1360 k = 0.5162 0.1406-0.0232 ( 4796 PWs) bands (ev): -36.2976 -36.2976 -17.2716 -17.2716 -15.8505 -15.8505 -15.8120 -15.8120 -5.6670 -5.6670 -5.6394 -5.6394 -4.3382 -4.3382 -3.8143 -3.8143 -3.4994 -3.4994 -3.4563 -3.4563 -3.4448 -3.4448 0.9676 0.9676 3.1711 3.1711 4.4097 4.4097 4.7456 4.7456 5.7013 5.7013 6.4066 6.4066 7.1361 7.1361 8.4086 8.4086 8.4754 8.4754 8.8132 8.8132 9.1263 9.1263 k = 0.5122 0.1394 0.0032 ( 4799 PWs) bands (ev): -36.2976 -36.2976 -17.2714 -17.2714 -15.8505 -15.8505 -15.8115 -15.8115 -5.6670 -5.6670 -5.6392 -5.6392 -4.3440 -4.3440 -3.8162 -3.8162 -3.4998 -3.4998 -3.4567 -3.4567 -3.4452 -3.4452 0.9682 0.9682 3.1617 3.1617 4.4075 4.4075 4.7444 4.7444 5.7392 5.7392 6.4581 6.4581 7.1732 7.1732 8.4056 8.4056 8.4520 8.4520 8.7622 8.7622 9.1200 9.1200 k = 0.5081 0.1383 0.0297 ( 4805 PWs) bands (ev): -36.2976 -36.2976 -17.2713 -17.2713 -15.8505 -15.8505 -15.8112 -15.8112 -5.6670 -5.6670 -5.6392 -5.6392 -4.3482 -4.3482 -3.8175 -3.8175 -3.5001 -3.5001 -3.4569 -3.4569 -3.4455 -3.4455 0.9687 0.9687 3.1549 3.1549 4.4059 4.4059 4.7436 4.7436 5.7663 5.7663 6.4978 6.4978 7.2012 7.2012 8.3973 8.3973 8.4379 8.4379 8.7245 8.7245 9.1159 9.1159 k = 0.5041 0.1372 0.0561 ( 4806 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3508 -4.3508 -3.8183 -3.8183 -3.5003 -3.5003 -3.4570 -3.4570 -3.4456 -3.4456 0.9689 0.9689 3.1508 3.1508 4.4050 4.4050 4.7431 4.7431 5.7825 5.7825 6.5229 6.5229 7.2187 7.2187 8.3887 8.3887 8.4309 8.4309 8.7017 8.7017 9.1135 9.1135 k = 0.5000 0.1361 0.0825 ( 4796 PWs) bands (ev): -36.2976 -36.2976 -17.2712 -17.2712 -15.8504 -15.8504 -15.8109 -15.8109 -5.6670 -5.6670 -5.6391 -5.6391 -4.3516 -4.3516 -3.8186 -3.8186 -3.5003 -3.5003 -3.4571 -3.4571 -3.4457 -3.4457 0.9690 0.9690 3.1495 3.1495 4.4047 4.4047 4.7430 4.7430 5.7879 5.7879 6.5315 6.5315 7.2246 7.2246 8.3852 8.3852 8.4288 8.4288 8.6942 8.6942 9.1127 9.1127 k = 0.5000-0.8501-0.5151 ( 4812 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8022 -3.8022 -3.6935 -3.6935 -3.4811 -3.4811 -3.4422 -3.4422 -3.1840 -3.1840 1.2294 1.2294 2.6984 2.6984 3.9787 3.9787 4.0523 4.0523 4.6524 4.6524 5.2222 5.2222 5.9948 5.9948 7.8657 7.8657 8.4199 8.4199 9.0972 9.0972 9.4251 9.4251 k = 0.5226-0.8404-0.5092 ( 4816 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8032 -3.8032 -3.6923 -3.6923 -3.4811 -3.4811 -3.4422 -3.4422 -3.1843 -3.1843 1.2278 1.2278 2.7021 2.7021 3.9646 3.9646 4.0676 4.0676 4.6535 4.6535 5.2206 5.2206 5.9888 5.9888 7.8652 7.8652 8.4201 8.4201 9.0980 9.0980 9.4264 9.4264 k = 0.5452-0.8307-0.5033 ( 4817 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6663 -5.6663 -5.6455 -5.6455 -3.8058 -3.8058 -3.6888 -3.6888 -3.4811 -3.4811 -3.4422 -3.4422 -3.1852 -3.1852 1.2229 1.2229 2.7130 2.7130 3.9373 3.9373 4.0987 4.0987 4.6569 4.6569 5.2159 5.2159 5.9712 5.9712 7.8638 7.8638 8.4207 8.4207 9.1007 9.1007 9.4303 9.4303 k = 0.5678-0.8210-0.4974 ( 4823 PWs) bands (ev): -36.2948 -36.2948 -17.2894 -17.2894 -15.8736 -15.8736 -15.8372 -15.8372 -5.6664 -5.6664 -5.6455 -5.6455 -3.8098 -3.8098 -3.6832 -3.6832 -3.4811 -3.4811 -3.4422 -3.4422 -3.1868 -3.1868 1.2150 1.2150 2.7309 2.7309 3.9080 3.9080 4.1343 4.1343 4.6625 4.6625 5.2081 5.2081 5.9424 5.9424 7.8613 7.8613 8.4210 8.4210 9.1057 9.1057 9.4368 9.4368 k = 0.5904-0.8112-0.4915 ( 4827 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6664 -5.6664 -5.6456 -5.6456 -3.8148 -3.8148 -3.6762 -3.6762 -3.4811 -3.4811 -3.4422 -3.4422 -3.1889 -3.1889 1.2044 1.2044 2.7552 2.7552 3.8796 3.8796 4.1715 4.1715 4.6704 4.6704 5.1970 5.1970 5.9036 5.9036 7.8580 7.8580 8.4199 8.4199 9.1136 9.1136 9.4460 9.4460 k = 0.6130-0.8015-0.4856 ( 4830 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6664 -5.6664 -5.6456 -5.6456 -3.8204 -3.8204 -3.6681 -3.6681 -3.4811 -3.4811 -3.4422 -3.4422 -3.1916 -3.1916 1.1917 1.1917 2.7851 2.7851 3.8531 3.8531 4.2093 4.2093 4.6805 4.6805 5.1829 5.1829 5.8559 5.8559 7.8540 7.8540 8.4163 8.4163 9.1251 9.1251 9.4576 9.4576 k = 0.6356-0.7918-0.4797 ( 4830 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8736 -15.8736 -15.8372 -15.8372 -5.6665 -5.6665 -5.6456 -5.6456 -3.8262 -3.8262 -3.6593 -3.6593 -3.4811 -3.4811 -3.4422 -3.4422 -3.1947 -3.1947 1.1773 1.1773 2.8198 2.8198 3.8292 3.8292 4.2471 4.2471 4.6928 4.6928 5.1656 5.1656 5.8007 5.8007 7.8494 7.8494 8.4094 8.4094 9.1408 9.1408 9.4714 9.4714 k = 0.6582-0.7821-0.4739 ( 4834 PWs) bands (ev): -36.2948 -36.2948 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6665 -5.6665 -5.6456 -5.6456 -3.8321 -3.8321 -3.6500 -3.6500 -3.4811 -3.4811 -3.4423 -3.4423 -3.1983 -3.1983 1.1618 1.1618 2.8584 2.8584 3.8083 3.8083 4.2844 4.2844 4.7071 4.7071 5.1450 5.1450 5.7398 5.7398 7.8444 7.8444 8.3985 8.3985 9.1612 9.1612 9.4868 9.4868 k = 0.6808-0.7723-0.4680 ( 4837 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6666 -5.6666 -5.6457 -5.6457 -3.8378 -3.8378 -3.6405 -3.6405 -3.4811 -3.4811 -3.4423 -3.4423 -3.2023 -3.2023 1.1456 1.1456 2.8997 2.8997 3.7910 3.7910 4.3209 4.3209 4.7234 4.7234 5.1213 5.1213 5.6748 5.6748 7.8392 7.8392 8.3833 8.3833 9.1861 9.1861 9.5030 9.5030 k = 0.7034-0.7626-0.4621 ( 4840 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6667 -5.6667 -5.6457 -5.6457 -3.8433 -3.8433 -3.6311 -3.6311 -3.4812 -3.4812 -3.4423 -3.4423 -3.2065 -3.2065 1.1293 1.1293 2.9426 2.9426 3.7778 3.7778 4.3561 4.3561 4.7411 4.7411 5.0943 5.0943 5.6077 5.6077 7.8341 7.8341 8.3640 8.3640 9.2153 9.2153 9.5193 9.5193 k = 0.7260-0.7529-0.4562 ( 4838 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8735 -15.8735 -15.8372 -15.8372 -5.6667 -5.6667 -5.6457 -5.6457 -3.8485 -3.8485 -3.6219 -3.6219 -3.4812 -3.4812 -3.4423 -3.4423 -3.2109 -3.2109 1.1133 1.1133 2.9859 2.9859 3.7690 3.7690 4.3897 4.3897 4.7596 4.7596 5.0643 5.0643 5.5406 5.5406 7.8293 7.8293 8.3411 8.3411 9.2481 9.2481 9.5349 9.5349 k = 0.7486-0.7432-0.4503 ( 4844 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8734 -15.8734 -15.8372 -15.8372 -5.6668 -5.6668 -5.6458 -5.6458 -3.8532 -3.8532 -3.6131 -3.6131 -3.4812 -3.4812 -3.4423 -3.4423 -3.2154 -3.2154 1.0980 1.0980 3.0282 3.0282 3.7651 3.7651 4.4215 4.4215 4.7775 4.7775 5.0324 5.0324 5.4753 5.4753 7.8251 7.8251 8.3154 8.3154 9.2834 9.2834 9.5491 9.5491 k = 0.7712-0.7334-0.4444 ( 4839 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8734 -15.8734 -15.8372 -15.8372 -5.6669 -5.6669 -5.6458 -5.6458 -3.8574 -3.8574 -3.6049 -3.6049 -3.4812 -3.4812 -3.4423 -3.4423 -3.2198 -3.2198 1.0836 1.0836 3.0685 3.0685 3.7663 3.7663 4.4513 4.4513 4.7916 4.7916 5.0011 5.0011 5.4138 5.4138 7.8216 7.8216 8.2876 8.2876 9.3203 9.3203 9.5610 9.5610 k = 0.7938-0.7237-0.4385 ( 4831 PWs) bands (ev): -36.2949 -36.2949 -17.2893 -17.2893 -15.8734 -15.8734 -15.8372 -15.8372 -5.6669 -5.6669 -5.6458 -5.6458 -3.8611 -3.8611 -3.5976 -3.5976 -3.4812 -3.4812 -3.4422 -3.4422 -3.2240 -3.2240 1.0706 1.0706 3.1056 3.1056 3.7724 3.7724 4.4785 4.4785 4.7963 4.7963 4.9766 4.9766 5.3576 5.3576 7.8192 7.8192 8.2587 8.2587 9.3575 9.3575 9.5702 9.5702 k = 0.8164-0.7140-0.4326 ( 4822 PWs) bands (ev): -36.2949 -36.2949 -17.2892 -17.2892 -15.8733 -15.8733 -15.8372 -15.8372 -5.6670 -5.6670 -5.6458 -5.6458 -3.8643 -3.8643 -3.5913 -3.5913 -3.4813 -3.4813 -3.4422 -3.4422 -3.2279 -3.2279 1.0591 1.0591 3.1387 3.1387 3.7827 3.7827 4.5030 4.5030 4.7845 4.7845 4.9668 4.9668 5.3079 5.3079 7.8181 7.8181 8.2295 8.2295 9.3937 9.3937 9.5760 9.5760 Writing output data file YTlTe2.save init_run : 0.54s CPU 0.82s WALL ( 1 calls) electrons : 188.85s CPU 191.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 188.84s CPU 191.00s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 274 calls) cegterg : 168.90s CPU 170.44s WALL ( 294 calls) Called by sum_band: Called by *egterg: h_psi : 135.27s CPU 136.61s WALL ( 5783 calls) s_psi : 3.89s CPU 3.82s WALL ( 5783 calls) g_psi : 0.21s CPU 0.19s WALL ( 5215 calls) cdiaghg : 34.92s CPU 35.49s WALL ( 5489 calls) cegterg:over : 4.38s CPU 4.40s WALL ( 5215 calls) cegterg:upda : 4.54s CPU 4.34s WALL ( 5215 calls) cegterg:last : 1.76s CPU 1.72s WALL ( 850 calls) cdiaghg:chol : 1.93s CPU 2.05s WALL ( 5489 calls) cdiaghg:inve : 1.25s CPU 1.22s WALL ( 5489 calls) cdiaghg:para : 2.07s CPU 2.09s WALL ( 10978 calls) Called by h_psi: h_psi:vloc : 126.93s CPU 128.15s WALL ( 5783 calls) h_psi:vnl : 8.14s CPU 8.28s WALL ( 5783 calls) add_vuspsi : 4.44s CPU 4.36s WALL ( 5783 calls) General routines calbec : 3.68s CPU 3.91s WALL ( 5783 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.90s CPU 116.89s WALL ( 537852 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.18s WALL ( 548 calls) Parallel routines fft_scatter : 30.74s CPU 30.74s WALL ( 537875 calls) PWSCF : 3m22.84s CPU 3m45.32s WALL This run was terminated on: 21:27:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=