Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:43:56 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: ./KYTe2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 73 43 12 1845 826 131 Max 75 44 13 1847 843 133 Sum 2651 1555 459 66447 30099 4741 bravais-lattice index = 14 lattice parameter (alat) = 14.9949 a.u. unit-cell volume = 848.7551 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.994866 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.846602 celldm(5)= 0.846602 celldm(6)= 0.846602 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.846602 0.532227 0.000000 ) a(3) = ( 0.846602 0.244007 0.472997 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.590679 -0.969277 ) b(2) = ( 0.000000 1.878899 -0.969277 ) b(3) = ( 0.000000 0.000000 2.114180 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 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 K 9.00 39.09830 K( 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= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0119048 -0.0189367 -0.0115390), wk = 0.0035842 k( 3) = ( 0.0238095 -0.0378733 -0.0230780), wk = 0.0035842 k( 4) = ( 0.0357143 -0.0568100 -0.0346170), wk = 0.0035842 k( 5) = ( 0.0476191 -0.0757466 -0.0461561), wk = 0.0035842 k( 6) = ( 0.0595238 -0.0946833 -0.0576951), wk = 0.0035842 k( 7) = ( 0.0714286 -0.1136199 -0.0692341), wk = 0.0035842 k( 8) = ( 0.0833333 -0.1325566 -0.0807731), wk = 0.0035842 k( 9) = ( 0.0952381 -0.1514933 -0.0923121), wk = 0.0035842 k( 10) = ( 0.1071429 -0.1704299 -0.1038511), wk = 0.0035842 k( 11) = ( 0.1190476 -0.1893666 -0.1153901), wk = 0.0035842 k( 12) = ( 0.1309524 -0.2083032 -0.1269291), wk = 0.0035842 k( 13) = ( 0.1428571 -0.2272399 -0.1384682), wk = 0.0035842 k( 14) = ( 0.1547619 -0.2461765 -0.1500072), wk = 0.0035842 k( 15) = ( 0.1666667 -0.2651132 -0.1615462), wk = 0.0035842 k( 16) = ( 0.1785714 -0.2840498 -0.1730852), wk = 0.0035842 k( 17) = ( 0.1904762 -0.3029865 -0.1846242), wk = 0.0035842 k( 18) = ( 0.2023810 -0.3219231 -0.1961632), wk = 0.0035842 k( 19) = ( 0.2142857 -0.3408598 -0.2077022), wk = 0.0035842 k( 20) = ( 0.2261905 -0.3597965 -0.2192413), wk = 0.0035842 k( 21) = ( 0.2380952 -0.3787331 -0.2307803), wk = 0.0035842 k( 22) = ( 0.2500000 -0.3976698 -0.2423193), wk = 0.0035842 k( 23) = ( 0.2619048 -0.4166064 -0.2538583), wk = 0.0035842 k( 24) = ( 0.2738095 -0.4355431 -0.2653973), wk = 0.0035842 k( 25) = ( 0.2857143 -0.4544798 -0.2769363), wk = 0.0035842 k( 26) = ( 0.2976190 -0.4734164 -0.2884753), wk = 0.0035842 k( 27) = ( 0.3095238 -0.4923531 -0.3000144), wk = 0.0035842 k( 28) = ( 0.3214286 -0.5112897 -0.3115534), wk = 0.0035842 k( 29) = ( 0.3333333 -0.5302264 -0.3230924), wk = 0.0035842 k( 30) = ( 0.3452381 -0.5491630 -0.3346314), wk = 0.0035842 k( 31) = ( 0.3571429 -0.5680997 -0.3461704), wk = 0.0035842 k( 32) = ( 0.3690476 -0.5870363 -0.3577094), wk = 0.0035842 k( 33) = ( 0.3809524 -0.6059730 -0.3692484), wk = 0.0035842 k( 34) = ( 0.3928571 -0.6249096 -0.3807874), wk = 0.0035842 k( 35) = ( 0.4047619 -0.6438463 -0.3923265), wk = 0.0035842 k( 36) = ( 0.4166667 -0.6627830 -0.4038655), wk = 0.0035842 k( 37) = ( 0.4285714 -0.6817196 -0.4154045), wk = 0.0035842 k( 38) = ( 0.4404762 -0.7006563 -0.4269435), wk = 0.0035842 k( 39) = ( 0.4523810 -0.7195929 -0.4384825), wk = 0.0035842 k( 40) = ( 0.4642857 -0.7385296 -0.4500215), wk = 0.0035842 k( 41) = ( 0.4761905 -0.7574662 -0.4615605), wk = 0.0035842 k( 42) = ( 0.4880952 -0.7764029 -0.4730996), wk = 0.0035842 k( 43) = ( 0.5000000 -0.7953396 -0.4846386), wk = 0.0035842 k( 44) = ( 0.5000000 -0.7953396 -0.4846386), wk = 0.0035842 k( 45) = ( 0.5000000 -0.7824202 -0.5058405), wk = 0.0035842 k( 46) = ( 0.5000000 -0.7695009 -0.5270424), wk = 0.0035842 k( 47) = ( 0.5000000 -0.7565815 -0.5482443), wk = 0.0035842 k( 48) = ( 0.5000000 -0.7436622 -0.5694462), wk = 0.0035842 k( 49) = ( 0.5000000 -0.7307428 -0.5906481), wk = 0.0035842 k( 50) = ( 0.5000000 -0.7178235 -0.6118500), wk = 0.0035842 k( 51) = ( 0.5000000 -0.7049042 -0.6330519), wk = 0.0035842 k( 52) = ( 0.5000000 -0.6919848 -0.6542539), wk = 0.0035842 k( 53) = ( 0.5000000 -0.6790655 -0.6754558), wk = 0.0035842 k( 54) = ( 0.5000000 -0.6661461 -0.6966577), wk = 0.0035842 k( 55) = ( 0.5000000 -0.6532268 -0.7178596), wk = 0.0035842 k( 56) = ( 0.5000000 -0.6403075 -0.7390615), wk = 0.0035842 k( 57) = ( 0.5000000 -0.6273881 -0.7602634), wk = 0.0035842 k( 58) = ( 0.5000000 -0.6144688 -0.7814653), wk = 0.0035842 k( 59) = ( 0.5000000 -0.6015494 -0.8026672), wk = 0.0035842 k( 60) = ( 0.5000000 -0.5886301 -0.8238691), wk = 0.0035842 k( 61) = ( 0.5000000 -0.5757108 -0.8450710), wk = 0.0035842 k( 62) = ( 0.5000000 -0.5627914 -0.8662729), wk = 0.0035842 k( 63) = ( 0.5000000 -0.5498721 -0.8874749), wk = 0.0035842 k( 64) = ( 0.5000000 -0.5369527 -0.9086768), wk = 0.0035842 k( 65) = ( 0.5000000 -0.5240334 -0.9298787), wk = 0.0035842 k( 66) = ( 0.5000000 -0.5111140 -0.9510806), wk = 0.0035842 k( 67) = ( 0.5000000 -0.4981947 -0.9722825), wk = 0.0035842 k( 68) = ( 0.5000000 -0.4852754 -0.9934844), wk = 0.0035842 k( 69) = ( 0.5000000 -0.4723560 -1.0146863), wk = 0.0035842 k( 70) = ( 0.5000000 -0.4594367 -1.0358882), wk = 0.0035842 k( 71) = ( 0.5000000 -0.4465173 -1.0570901), wk = 0.0035842 k( 72) = ( 0.8143475 -0.3559162 -0.8814641), wk = 0.0035842 k( 73) = ( 0.8073620 -0.3448046 -0.8599246), wk = 0.0035842 k( 74) = ( 0.8003765 -0.3336929 -0.8383852), wk = 0.0035842 k( 75) = ( 0.7933910 -0.3225812 -0.8168457), wk = 0.0035842 k( 76) = ( 0.7864055 -0.3114695 -0.7953062), wk = 0.0035842 k( 77) = ( 0.7794200 -0.3003578 -0.7737667), wk = 0.0035842 k( 78) = ( 0.7724345 -0.2892461 -0.7522272), wk = 0.0035842 k( 79) = ( 0.7654490 -0.2781344 -0.7306877), wk = 0.0035842 k( 80) = ( 0.7584635 -0.2670227 -0.7091482), wk = 0.0035842 k( 81) = ( 0.7514780 -0.2559110 -0.6876087), wk = 0.0035842 k( 82) = ( 0.7444925 -0.2447994 -0.6660692), wk = 0.0035842 k( 83) = ( 0.7375070 -0.2336877 -0.6445297), wk = 0.0035842 k( 84) = ( 0.7305215 -0.2225760 -0.6229902), wk = 0.0035842 k( 85) = ( 0.7235360 -0.2114643 -0.6014507), wk = 0.0035842 k( 86) = ( 0.7165505 -0.2003526 -0.5799112), wk = 0.0035842 k( 87) = ( 0.7095650 -0.1892409 -0.5583718), wk = 0.0035842 k( 88) = ( 0.7025795 -0.1781292 -0.5368323), wk = 0.0035842 k( 89) = ( 0.6955940 -0.1670175 -0.5152928), wk = 0.0035842 k( 90) = ( 0.6886085 -0.1559058 -0.4937533), wk = 0.0035842 k( 91) = ( 0.6816230 -0.1447942 -0.4722138), wk = 0.0035842 k( 92) = ( 0.6746375 -0.1336825 -0.4506743), wk = 0.0035842 k( 93) = ( 0.6676520 -0.1225708 -0.4291348), wk = 0.0035842 k( 94) = ( 0.6606665 -0.1114591 -0.4075953), wk = 0.0035842 k( 95) = ( 0.6536810 -0.1003474 -0.3860558), wk = 0.0035842 k( 96) = ( 0.6466955 -0.0892357 -0.3645163), wk = 0.0035842 k( 97) = ( 0.6397100 -0.0781240 -0.3429768), wk = 0.0035842 k( 98) = ( 0.6327245 -0.0670123 -0.3214373), wk = 0.0035842 k( 99) = ( 0.6257390 -0.0559006 -0.2998979), wk = 0.0035842 k( 100) = ( 0.6187535 -0.0447890 -0.2783584), wk = 0.0035842 k( 101) = ( 0.6117680 -0.0336773 -0.2568189), wk = 0.0035842 k( 102) = ( 0.6047825 -0.0225656 -0.2352794), wk = 0.0035842 k( 103) = ( 0.5977970 -0.0114539 -0.2137399), wk = 0.0035842 k( 104) = ( 0.5908115 -0.0003422 -0.1922004), wk = 0.0035842 k( 105) = ( 0.5838260 0.0107695 -0.1706609), wk = 0.0035842 k( 106) = ( 0.5768405 0.0218812 -0.1491214), wk = 0.0035842 k( 107) = ( 0.5698550 0.0329929 -0.1275819), wk = 0.0035842 k( 108) = ( 0.5628695 0.0441046 -0.1060424), wk = 0.0035842 k( 109) = ( 0.5558840 0.0552162 -0.0845029), wk = 0.0035842 k( 110) = ( 0.5488985 0.0663279 -0.0629634), wk = 0.0035842 k( 111) = ( 0.5419130 0.0774396 -0.0414240), wk = 0.0035842 k( 112) = ( 0.5349275 0.0885513 -0.0198845), wk = 0.0035842 k( 113) = ( 0.5279420 0.0996630 0.0016550), wk = 0.0035842 k( 114) = ( 0.5209565 0.1107747 0.0231945), wk = 0.0035842 k( 115) = ( 0.5139710 0.1218864 0.0447340), wk = 0.0035842 k( 116) = ( 0.5069855 0.1329981 0.0662735), wk = 0.0035842 k( 117) = ( 0.5000000 0.1441098 0.0878130), wk = 0.0035842 k( 118) = ( 0.5000000 0.1441098 0.0878130), wk = 0.0035842 k( 119) = ( 0.4761905 0.1372474 0.0836314), wk = 0.0035842 k( 120) = ( 0.4523810 0.1303850 0.0794498), wk = 0.0035842 k( 121) = ( 0.4285714 0.1235226 0.0752683), wk = 0.0035842 k( 122) = ( 0.4047619 0.1166603 0.0710867), wk = 0.0035842 k( 123) = ( 0.3809524 0.1097979 0.0669051), wk = 0.0035842 k( 124) = ( 0.3571429 0.1029355 0.0627236), wk = 0.0035842 k( 125) = ( 0.3333333 0.0960732 0.0585420), wk = 0.0035842 k( 126) = ( 0.3095238 0.0892108 0.0543604), wk = 0.0035842 k( 127) = ( 0.2857143 0.0823484 0.0501789), wk = 0.0035842 k( 128) = ( 0.2619048 0.0754861 0.0459973), wk = 0.0035842 k( 129) = ( 0.2380952 0.0686237 0.0418157), wk = 0.0035842 k( 130) = ( 0.2142857 0.0617613 0.0376341), wk = 0.0035842 k( 131) = ( 0.1904762 0.0548990 0.0334526), wk = 0.0035842 k( 132) = ( 0.1666667 0.0480366 0.0292710), wk = 0.0035842 k( 133) = ( 0.1428571 0.0411742 0.0250894), wk = 0.0035842 k( 134) = ( 0.1190476 0.0343118 0.0209079), wk = 0.0035842 k( 135) = ( 0.0952381 0.0274495 0.0167263), wk = 0.0035842 k( 136) = ( 0.0714286 0.0205871 0.0125447), wk = 0.0035842 k( 137) = ( 0.0476191 0.0137247 0.0083631), wk = 0.0035842 k( 138) = ( 0.0238095 0.0068624 0.0041816), wk = 0.0035842 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 141) = ( 0.0068565 -0.0109065 -0.0211418), wk = 0.0035842 k( 142) = ( 0.0137130 -0.0218131 -0.0422836), wk = 0.0035842 k( 143) = ( 0.0205696 -0.0327196 -0.0634254), wk = 0.0035842 k( 144) = ( 0.0274261 -0.0436261 -0.0845672), wk = 0.0035842 k( 145) = ( 0.0342826 -0.0545326 -0.1057090), wk = 0.0035842 k( 146) = ( 0.0411391 -0.0654392 -0.1268508), wk = 0.0035842 k( 147) = ( 0.0479957 -0.0763457 -0.1479926), wk = 0.0035842 k( 148) = ( 0.0548522 -0.0872522 -0.1691344), wk = 0.0035842 k( 149) = ( 0.0617087 -0.0981588 -0.1902762), wk = 0.0035842 k( 150) = ( 0.0685652 -0.1090653 -0.2114180), wk = 0.0035842 k( 151) = ( 0.0754218 -0.1199718 -0.2325598), wk = 0.0035842 k( 152) = ( 0.0822783 -0.1308784 -0.2537016), wk = 0.0035842 k( 153) = ( 0.0891348 -0.1417849 -0.2748434), wk = 0.0035842 k( 154) = ( 0.0959914 -0.1526914 -0.2959852), wk = 0.0035842 k( 155) = ( 0.1028479 -0.1635980 -0.3171270), wk = 0.0035842 k( 156) = ( 0.1097044 -0.1745045 -0.3382688), wk = 0.0035842 k( 157) = ( 0.1165609 -0.1854110 -0.3594106), wk = 0.0035842 k( 158) = ( 0.1234174 -0.1963176 -0.3805524), wk = 0.0035842 k( 159) = ( 0.1302740 -0.2072241 -0.4016942), wk = 0.0035842 k( 160) = ( 0.1371305 -0.2181306 -0.4228361), wk = 0.0035842 k( 161) = ( 0.1439870 -0.2290371 -0.4439778), wk = 0.0035842 k( 162) = ( 0.1508435 -0.2399437 -0.4651197), wk = 0.0035842 k( 163) = ( 0.1577001 -0.2508502 -0.4862614), wk = 0.0035842 k( 164) = ( 0.1645566 -0.2617567 -0.5074033), wk = 0.0035842 k( 165) = ( 0.1714131 -0.2726633 -0.5285451), wk = 0.0035842 k( 166) = ( 0.1782697 -0.2835698 -0.5496869), wk = 0.0035842 k( 167) = ( 0.1851262 -0.2944763 -0.5708287), wk = 0.0035842 k( 168) = ( 0.1919827 -0.3053829 -0.5919705), wk = 0.0035842 k( 169) = ( 0.1988392 -0.3162894 -0.6131123), wk = 0.0035842 k( 170) = ( 0.2056958 -0.3271959 -0.6342541), wk = 0.0035842 k( 171) = ( 0.2125523 -0.3381025 -0.6553959), wk = 0.0035842 k( 172) = ( 0.2194088 -0.3490090 -0.6765377), wk = 0.0035842 k( 173) = ( 0.2262653 -0.3599155 -0.6976795), wk = 0.0035842 k( 174) = ( 0.2331218 -0.3708221 -0.7188213), wk = 0.0035842 k( 175) = ( 0.2399784 -0.3817286 -0.7399631), wk = 0.0035842 k( 176) = ( 0.2468349 -0.3926351 -0.7611049), wk = 0.0035842 k( 177) = ( 0.2536914 -0.4035416 -0.7822467), wk = 0.0035842 k( 178) = ( 0.2605479 -0.4144482 -0.8033885), wk = 0.0035842 k( 179) = ( 0.2674045 -0.4253547 -0.8245303), wk = 0.0035842 k( 180) = ( 0.2742610 -0.4362612 -0.8456721), wk = 0.0035842 k( 181) = ( 0.2811175 -0.4471678 -0.8668139), wk = 0.0035842 k( 182) = ( 0.2879740 -0.4580743 -0.8879557), wk = 0.0035842 k( 183) = ( 0.2948306 -0.4689808 -0.9090975), wk = 0.0035842 k( 184) = ( 0.3016871 -0.4798874 -0.9302393), wk = 0.0035842 k( 185) = ( 0.3085436 -0.4907939 -0.9513811), wk = 0.0035842 k( 186) = ( 0.3154001 -0.5017004 -0.9725229), wk = 0.0035842 k( 187) = ( 0.3222567 -0.5126070 -0.9936647), wk = 0.0035842 k( 188) = ( 0.3291132 -0.5235135 -1.0148065), wk = 0.0035842 k( 189) = ( 0.3359697 -0.5344200 -1.0359483), wk = 0.0035842 k( 190) = ( 0.3428262 -0.5453266 -1.0570901), wk = 0.0035842 k( 191) = ( 0.6571738 -0.4012168 -0.9692771), wk = 0.0035842 k( 192) = ( 0.6503401 -0.3775069 -0.9692771), wk = 0.0035842 k( 193) = ( 0.6435065 -0.3537971 -0.9692771), wk = 0.0035842 k( 194) = ( 0.6366728 -0.3300872 -0.9692771), wk = 0.0035842 k( 195) = ( 0.6298392 -0.3063774 -0.9692771), wk = 0.0035842 k( 196) = ( 0.6230056 -0.2826676 -0.9692771), wk = 0.0035842 k( 197) = ( 0.6161719 -0.2589577 -0.9692771), wk = 0.0035842 k( 198) = ( 0.6093383 -0.2352478 -0.9692771), wk = 0.0035842 k( 199) = ( 0.6025046 -0.2115380 -0.9692771), wk = 0.0035842 k( 200) = ( 0.5956710 -0.1878281 -0.9692771), wk = 0.0035842 k( 201) = ( 0.5888373 -0.1641183 -0.9692771), wk = 0.0035842 k( 202) = ( 0.5820037 -0.1404085 -0.9692771), wk = 0.0035842 k( 203) = ( 0.5751701 -0.1166986 -0.9692771), wk = 0.0035842 k( 204) = ( 0.5683364 -0.0929887 -0.9692771), wk = 0.0035842 k( 205) = ( 0.5615028 -0.0692789 -0.9692771), wk = 0.0035842 k( 206) = ( 0.5546691 -0.0455690 -0.9692771), wk = 0.0035842 k( 207) = ( 0.5478355 -0.0218592 -0.9692771), wk = 0.0035842 k( 208) = ( 0.5410019 0.0018507 -0.9692771), wk = 0.0035842 k( 209) = ( 0.5341682 0.0255605 -0.9692771), wk = 0.0035842 k( 210) = ( 0.5273346 0.0492703 -0.9692771), wk = 0.0035842 k( 211) = ( 0.5205009 0.0729802 -0.9692771), wk = 0.0035842 k( 212) = ( 0.5136673 0.0966901 -0.9692771), wk = 0.0035842 k( 213) = ( 0.5068336 0.1203999 -0.9692771), wk = 0.0035842 k( 214) = ( 0.5000000 0.1441098 -0.9692771), wk = 0.0035842 k( 215) = ( 0.5000000 0.1441098 -0.9692771), wk = 0.0035842 k( 216) = ( 0.5196467 0.1497723 -0.9583005), wk = 0.0035842 k( 217) = ( 0.5392934 0.1554349 -0.9473239), wk = 0.0035842 k( 218) = ( 0.5589402 0.1610975 -0.9363473), wk = 0.0035842 k( 219) = ( 0.5785869 0.1667600 -0.9253706), wk = 0.0035842 k( 220) = ( 0.5982336 0.1724226 -0.9143940), wk = 0.0035842 k( 221) = ( 0.6178803 0.1780852 -0.9034174), wk = 0.0035842 k( 222) = ( 0.6375270 0.1837477 -0.8924408), wk = 0.0035842 k( 223) = ( 0.6571738 0.1894103 -0.8814641), wk = 0.0035842 k( 224) = ( 0.6571738 0.1894103 -0.8814641), wk = 0.0035842 k( 225) = ( 0.6531437 0.1882487 -0.8566109), wk = 0.0035842 k( 226) = ( 0.6491136 0.1870872 -0.8317576), wk = 0.0035842 k( 227) = ( 0.6450835 0.1859256 -0.8069044), wk = 0.0035842 k( 228) = ( 0.6410534 0.1847641 -0.7820511), wk = 0.0035842 k( 229) = ( 0.6370233 0.1836025 -0.7571978), wk = 0.0035842 k( 230) = ( 0.6329932 0.1824410 -0.7323446), wk = 0.0035842 k( 231) = ( 0.6289631 0.1812794 -0.7074913), wk = 0.0035842 k( 232) = ( 0.6249330 0.1801179 -0.6826381), wk = 0.0035842 k( 233) = ( 0.6209029 0.1789563 -0.6577848), wk = 0.0035842 k( 234) = ( 0.6168728 0.1777948 -0.6329315), wk = 0.0035842 k( 235) = ( 0.6128427 0.1766332 -0.6080783), wk = 0.0035842 k( 236) = ( 0.6088126 0.1754717 -0.5832250), wk = 0.0035842 k( 237) = ( 0.6047825 0.1743101 -0.5583718), wk = 0.0035842 k( 238) = ( 0.6007524 0.1731486 -0.5335185), wk = 0.0035842 k( 239) = ( 0.5967223 0.1719870 -0.5086653), wk = 0.0035842 k( 240) = ( 0.5926922 0.1708255 -0.4838120), wk = 0.0035842 k( 241) = ( 0.5886621 0.1696639 -0.4589587), wk = 0.0035842 k( 242) = ( 0.5846320 0.1685024 -0.4341055), wk = 0.0035842 k( 243) = ( 0.5806019 0.1673408 -0.4092522), wk = 0.0035842 k( 244) = ( 0.5765718 0.1661793 -0.3843990), wk = 0.0035842 k( 245) = ( 0.5725417 0.1650177 -0.3595457), wk = 0.0035842 k( 246) = ( 0.5685116 0.1638561 -0.3346924), wk = 0.0035842 k( 247) = ( 0.5644815 0.1626946 -0.3098392), wk = 0.0035842 k( 248) = ( 0.5604514 0.1615330 -0.2849859), wk = 0.0035842 k( 249) = ( 0.5564214 0.1603715 -0.2601326), wk = 0.0035842 k( 250) = ( 0.5523913 0.1592099 -0.2352794), wk = 0.0035842 k( 251) = ( 0.5483611 0.1580484 -0.2104261), wk = 0.0035842 k( 252) = ( 0.5443311 0.1568868 -0.1855729), wk = 0.0035842 k( 253) = ( 0.5403010 0.1557253 -0.1607196), wk = 0.0035842 k( 254) = ( 0.5362709 0.1545637 -0.1358664), wk = 0.0035842 k( 255) = ( 0.5322408 0.1534022 -0.1110131), wk = 0.0035842 k( 256) = ( 0.5282107 0.1522406 -0.0861598), wk = 0.0035842 k( 257) = ( 0.5241806 0.1510791 -0.0613066), wk = 0.0035842 k( 258) = ( 0.5201505 0.1499175 -0.0364533), wk = 0.0035842 k( 259) = ( 0.5161204 0.1487560 -0.0116000), wk = 0.0035842 k( 260) = ( 0.5120903 0.1475944 0.0132532), wk = 0.0035842 k( 261) = ( 0.5080602 0.1464329 0.0381065), wk = 0.0035842 k( 262) = ( 0.5040301 0.1452713 0.0629597), wk = 0.0035842 k( 263) = ( 0.5000000 0.1441098 0.0878130), wk = 0.0035842 k( 264) = ( 0.5000000 -0.7953396 -0.4846386), wk = 0.0035842 k( 265) = ( 0.5209565 -0.7857322 -0.4787844), wk = 0.0035842 k( 266) = ( 0.5419130 -0.7761249 -0.4729302), wk = 0.0035842 k( 267) = ( 0.5628695 -0.7665176 -0.4670760), wk = 0.0035842 k( 268) = ( 0.5838260 -0.7569103 -0.4612218), wk = 0.0035842 k( 269) = ( 0.6047825 -0.7473030 -0.4553676), wk = 0.0035842 k( 270) = ( 0.6257390 -0.7376956 -0.4495134), wk = 0.0035842 k( 271) = ( 0.6466955 -0.7280883 -0.4436592), wk = 0.0035842 k( 272) = ( 0.6676520 -0.7184810 -0.4378050), wk = 0.0035842 k( 273) = ( 0.6886085 -0.7088737 -0.4319508), wk = 0.0035842 k( 274) = ( 0.7095650 -0.6992664 -0.4260966), wk = 0.0035842 k( 275) = ( 0.7305215 -0.6896591 -0.4202424), wk = 0.0035842 k( 276) = ( 0.7514780 -0.6800517 -0.4143882), wk = 0.0035842 k( 277) = ( 0.7724345 -0.6704444 -0.4085340), wk = 0.0035842 k( 278) = ( 0.7933910 -0.6608371 -0.4026798), wk = 0.0035842 k( 279) = ( 0.8143475 -0.6512298 -0.3968256), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0035842 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0035842 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0035842 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0035842 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0035842 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0035842 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0035842 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0035842 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0035842 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0035842 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0035842 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0035842 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0035842 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0035842 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0035842 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0035842 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0035842 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0035842 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0035842 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0035842 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035842 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0035842 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0035842 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0035842 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0035842 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0035842 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0035842 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0035842 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0035842 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0035842 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0035842 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0035842 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0035842 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0035842 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0035842 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0035842 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0035842 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0035842 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0035842 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0035842 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0035842 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035842 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035842 k( 45) = ( 0.5000000 0.0068760 -0.0068760), wk = 0.0035842 k( 46) = ( 0.5000000 0.0137520 -0.0137520), wk = 0.0035842 k( 47) = ( 0.5000000 0.0206281 -0.0206281), wk = 0.0035842 k( 48) = ( 0.5000000 0.0275041 -0.0275041), wk = 0.0035842 k( 49) = ( 0.5000000 0.0343801 -0.0343801), wk = 0.0035842 k( 50) = ( 0.5000000 0.0412561 -0.0412561), wk = 0.0035842 k( 51) = ( 0.5000000 0.0481321 -0.0481321), wk = 0.0035842 k( 52) = ( 0.5000000 0.0550082 -0.0550081), wk = 0.0035842 k( 53) = ( 0.5000000 0.0618842 -0.0618842), wk = 0.0035842 k( 54) = ( 0.5000000 0.0687602 -0.0687602), wk = 0.0035842 k( 55) = ( 0.5000000 0.0756362 -0.0756362), wk = 0.0035842 k( 56) = ( 0.5000000 0.0825122 -0.0825122), wk = 0.0035842 k( 57) = ( 0.5000000 0.0893882 -0.0893882), wk = 0.0035842 k( 58) = ( 0.5000000 0.0962643 -0.0962643), wk = 0.0035842 k( 59) = ( 0.5000000 0.1031403 -0.1031403), wk = 0.0035842 k( 60) = ( 0.5000000 0.1100163 -0.1100163), wk = 0.0035842 k( 61) = ( 0.5000000 0.1168923 -0.1168923), wk = 0.0035842 k( 62) = ( 0.5000000 0.1237683 -0.1237683), wk = 0.0035842 k( 63) = ( 0.5000000 0.1306444 -0.1306443), wk = 0.0035842 k( 64) = ( 0.5000000 0.1375204 -0.1375204), wk = 0.0035842 k( 65) = ( 0.5000000 0.1443964 -0.1443964), wk = 0.0035842 k( 66) = ( 0.5000000 0.1512724 -0.1512724), wk = 0.0035842 k( 67) = ( 0.5000000 0.1581484 -0.1581484), wk = 0.0035842 k( 68) = ( 0.5000000 0.1650244 -0.1650244), wk = 0.0035842 k( 69) = ( 0.5000000 0.1719005 -0.1719005), wk = 0.0035842 k( 70) = ( 0.5000000 0.1787765 -0.1787765), wk = 0.0035842 k( 71) = ( 0.5000000 0.1856525 -0.1856525), wk = 0.0035842 k( 72) = ( 0.8143475 0.5000000 0.1856525), wk = 0.0035842 k( 73) = ( 0.8073620 0.5000000 0.1926380), wk = 0.0035842 k( 74) = ( 0.8003765 0.5000000 0.1996235), wk = 0.0035842 k( 75) = ( 0.7933910 0.5000000 0.2066090), wk = 0.0035842 k( 76) = ( 0.7864055 0.5000000 0.2135945), wk = 0.0035842 k( 77) = ( 0.7794200 0.5000000 0.2205800), wk = 0.0035842 k( 78) = ( 0.7724345 0.5000000 0.2275655), wk = 0.0035842 k( 79) = ( 0.7654490 0.5000000 0.2345510), wk = 0.0035842 k( 80) = ( 0.7584635 0.5000000 0.2415365), wk = 0.0035842 k( 81) = ( 0.7514780 0.5000000 0.2485220), wk = 0.0035842 k( 82) = ( 0.7444925 0.5000000 0.2555075), wk = 0.0035842 k( 83) = ( 0.7375070 0.5000000 0.2624930), wk = 0.0035842 k( 84) = ( 0.7305215 0.5000000 0.2694785), wk = 0.0035842 k( 85) = ( 0.7235360 0.5000000 0.2764640), wk = 0.0035842 k( 86) = ( 0.7165505 0.5000000 0.2834495), wk = 0.0035842 k( 87) = ( 0.7095650 0.5000000 0.2904350), wk = 0.0035842 k( 88) = ( 0.7025795 0.5000000 0.2974205), wk = 0.0035842 k( 89) = ( 0.6955940 0.5000000 0.3044060), wk = 0.0035842 k( 90) = ( 0.6886085 0.5000000 0.3113915), wk = 0.0035842 k( 91) = ( 0.6816230 0.5000000 0.3183770), wk = 0.0035842 k( 92) = ( 0.6746375 0.5000000 0.3253625), wk = 0.0035842 k( 93) = ( 0.6676520 0.5000000 0.3323480), wk = 0.0035842 k( 94) = ( 0.6606665 0.5000000 0.3393335), wk = 0.0035842 k( 95) = ( 0.6536810 0.5000000 0.3463190), wk = 0.0035842 k( 96) = ( 0.6466955 0.5000000 0.3533045), wk = 0.0035842 k( 97) = ( 0.6397100 0.5000000 0.3602900), wk = 0.0035842 k( 98) = ( 0.6327245 0.5000000 0.3672755), wk = 0.0035842 k( 99) = ( 0.6257390 0.5000000 0.3742610), wk = 0.0035842 k( 100) = ( 0.6187535 0.5000000 0.3812465), wk = 0.0035842 k( 101) = ( 0.6117680 0.5000000 0.3882320), wk = 0.0035842 k( 102) = ( 0.6047825 0.5000000 0.3952175), wk = 0.0035842 k( 103) = ( 0.5977970 0.5000000 0.4022030), wk = 0.0035842 k( 104) = ( 0.5908115 0.5000000 0.4091885), wk = 0.0035842 k( 105) = ( 0.5838260 0.5000000 0.4161740), wk = 0.0035842 k( 106) = ( 0.5768405 0.5000000 0.4231595), wk = 0.0035842 k( 107) = ( 0.5698550 0.5000000 0.4301450), wk = 0.0035842 k( 108) = ( 0.5628695 0.5000000 0.4371305), wk = 0.0035842 k( 109) = ( 0.5558840 0.5000000 0.4441160), wk = 0.0035842 k( 110) = ( 0.5488985 0.5000000 0.4511015), wk = 0.0035842 k( 111) = ( 0.5419130 0.5000000 0.4580870), wk = 0.0035842 k( 112) = ( 0.5349275 0.5000000 0.4650725), wk = 0.0035842 k( 113) = ( 0.5279420 0.5000000 0.4720580), wk = 0.0035842 k( 114) = ( 0.5209565 0.5000000 0.4790435), wk = 0.0035842 k( 115) = ( 0.5139710 0.5000000 0.4860290), wk = 0.0035842 k( 116) = ( 0.5069855 0.5000000 0.4930145), wk = 0.0035842 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 119) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035842 k( 120) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0035842 k( 121) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035842 k( 122) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035842 k( 123) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035842 k( 124) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035842 k( 125) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035842 k( 126) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035842 k( 127) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035842 k( 128) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035842 k( 129) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035842 k( 130) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035842 k( 131) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035842 k( 132) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035842 k( 133) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035842 k( 134) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035842 k( 135) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035842 k( 136) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035842 k( 137) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0035842 k( 138) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035842 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 141) = ( 0.0068565 0.0000000 -0.0068565), wk = 0.0035842 k( 142) = ( 0.0137130 0.0000000 -0.0137130), wk = 0.0035842 k( 143) = ( 0.0205696 0.0000000 -0.0205696), wk = 0.0035842 k( 144) = ( 0.0274261 0.0000000 -0.0274261), wk = 0.0035842 k( 145) = ( 0.0342826 0.0000000 -0.0342826), wk = 0.0035842 k( 146) = ( 0.0411391 0.0000000 -0.0411391), wk = 0.0035842 k( 147) = ( 0.0479957 -0.0000000 -0.0479957), wk = 0.0035842 k( 148) = ( 0.0548522 0.0000000 -0.0548522), wk = 0.0035842 k( 149) = ( 0.0617087 0.0000000 -0.0617087), wk = 0.0035842 k( 150) = ( 0.0685652 0.0000000 -0.0685652), wk = 0.0035842 k( 151) = ( 0.0754218 0.0000000 -0.0754218), wk = 0.0035842 k( 152) = ( 0.0822783 0.0000000 -0.0822783), wk = 0.0035842 k( 153) = ( 0.0891348 0.0000000 -0.0891348), wk = 0.0035842 k( 154) = ( 0.0959914 0.0000000 -0.0959913), wk = 0.0035842 k( 155) = ( 0.1028479 0.0000000 -0.1028479), wk = 0.0035842 k( 156) = ( 0.1097044 0.0000000 -0.1097044), wk = 0.0035842 k( 157) = ( 0.1165609 0.0000000 -0.1165609), wk = 0.0035842 k( 158) = ( 0.1234174 0.0000000 -0.1234174), wk = 0.0035842 k( 159) = ( 0.1302740 0.0000000 -0.1302740), wk = 0.0035842 k( 160) = ( 0.1371305 0.0000000 -0.1371305), wk = 0.0035842 k( 161) = ( 0.1439870 0.0000000 -0.1439870), wk = 0.0035842 k( 162) = ( 0.1508435 0.0000000 -0.1508435), wk = 0.0035842 k( 163) = ( 0.1577001 0.0000000 -0.1577001), wk = 0.0035842 k( 164) = ( 0.1645566 0.0000000 -0.1645566), wk = 0.0035842 k( 165) = ( 0.1714131 0.0000000 -0.1714131), wk = 0.0035842 k( 166) = ( 0.1782697 0.0000000 -0.1782696), wk = 0.0035842 k( 167) = ( 0.1851262 0.0000000 -0.1851262), wk = 0.0035842 k( 168) = ( 0.1919827 0.0000000 -0.1919827), wk = 0.0035842 k( 169) = ( 0.1988392 0.0000000 -0.1988392), wk = 0.0035842 k( 170) = ( 0.2056958 0.0000000 -0.2056957), wk = 0.0035842 k( 171) = ( 0.2125523 0.0000000 -0.2125523), wk = 0.0035842 k( 172) = ( 0.2194088 0.0000000 -0.2194088), wk = 0.0035842 k( 173) = ( 0.2262653 0.0000000 -0.2262653), wk = 0.0035842 k( 174) = ( 0.2331218 0.0000000 -0.2331218), wk = 0.0035842 k( 175) = ( 0.2399784 0.0000000 -0.2399784), wk = 0.0035842 k( 176) = ( 0.2468349 0.0000000 -0.2468349), wk = 0.0035842 k( 177) = ( 0.2536914 0.0000000 -0.2536914), wk = 0.0035842 k( 178) = ( 0.2605479 0.0000000 -0.2605479), wk = 0.0035842 k( 179) = ( 0.2674045 0.0000000 -0.2674045), wk = 0.0035842 k( 180) = ( 0.2742610 0.0000000 -0.2742610), wk = 0.0035842 k( 181) = ( 0.2811175 0.0000000 -0.2811175), wk = 0.0035842 k( 182) = ( 0.2879740 0.0000000 -0.2879740), wk = 0.0035842 k( 183) = ( 0.2948306 0.0000000 -0.2948306), wk = 0.0035842 k( 184) = ( 0.3016871 0.0000000 -0.3016871), wk = 0.0035842 k( 185) = ( 0.3085436 0.0000000 -0.3085436), wk = 0.0035842 k( 186) = ( 0.3154001 0.0000000 -0.3154001), wk = 0.0035842 k( 187) = ( 0.3222567 0.0000000 -0.3222567), wk = 0.0035842 k( 188) = ( 0.3291132 0.0000000 -0.3291132), wk = 0.0035842 k( 189) = ( 0.3359697 0.0000000 -0.3359697), wk = 0.0035842 k( 190) = ( 0.3428262 -0.0000000 -0.3428262), wk = 0.0035842 k( 191) = ( 0.6571738 0.3428263 0.0000000), wk = 0.0035842 k( 192) = ( 0.6503401 0.3496599 0.0000000), wk = 0.0035842 k( 193) = ( 0.6435065 0.3564935 0.0000000), wk = 0.0035842 k( 194) = ( 0.6366728 0.3633272 0.0000000), wk = 0.0035842 k( 195) = ( 0.6298392 0.3701608 0.0000000), wk = 0.0035842 k( 196) = ( 0.6230056 0.3769945 0.0000000), wk = 0.0035842 k( 197) = ( 0.6161719 0.3838281 0.0000000), wk = 0.0035842 k( 198) = ( 0.6093383 0.3906617 0.0000000), wk = 0.0035842 k( 199) = ( 0.6025046 0.3974954 0.0000000), wk = 0.0035842 k( 200) = ( 0.5956710 0.4043290 0.0000000), wk = 0.0035842 k( 201) = ( 0.5888373 0.4111627 0.0000000), wk = 0.0035842 k( 202) = ( 0.5820037 0.4179963 0.0000000), wk = 0.0035842 k( 203) = ( 0.5751701 0.4248299 0.0000000), wk = 0.0035842 k( 204) = ( 0.5683364 0.4316636 0.0000000), wk = 0.0035842 k( 205) = ( 0.5615028 0.4384972 0.0000000), wk = 0.0035842 k( 206) = ( 0.5546691 0.4453309 0.0000000), wk = 0.0035842 k( 207) = ( 0.5478355 0.4521645 0.0000000), wk = 0.0035842 k( 208) = ( 0.5410019 0.4589982 0.0000000), wk = 0.0035842 k( 209) = ( 0.5341682 0.4658318 0.0000000), wk = 0.0035842 k( 210) = ( 0.5273346 0.4726654 0.0000000), wk = 0.0035842 k( 211) = ( 0.5205009 0.4794991 0.0000000), wk = 0.0035842 k( 212) = ( 0.5136673 0.4863327 0.0000000), wk = 0.0035842 k( 213) = ( 0.5068336 0.4931664 0.0000000), wk = 0.0035842 k( 214) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 215) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 216) = ( 0.5196467 0.5196467 0.0232066), wk = 0.0035842 k( 217) = ( 0.5392934 0.5392934 0.0464131), wk = 0.0035842 k( 218) = ( 0.5589402 0.5589402 0.0696197), wk = 0.0035842 k( 219) = ( 0.5785869 0.5785869 0.0928263), wk = 0.0035842 k( 220) = ( 0.5982336 0.5982336 0.1160328), wk = 0.0035842 k( 221) = ( 0.6178803 0.6178803 0.1392394), wk = 0.0035842 k( 222) = ( 0.6375270 0.6375270 0.1624459), wk = 0.0035842 k( 223) = ( 0.6571738 0.6571738 0.1856525), wk = 0.0035842 k( 224) = ( 0.6571738 0.6571738 0.1856525), wk = 0.0035842 k( 225) = ( 0.6531437 0.6531437 0.1937127), wk = 0.0035842 k( 226) = ( 0.6491136 0.6491136 0.2017729), wk = 0.0035842 k( 227) = ( 0.6450835 0.6450835 0.2098331), wk = 0.0035842 k( 228) = ( 0.6410534 0.6410534 0.2178933), wk = 0.0035842 k( 229) = ( 0.6370233 0.6370233 0.2259535), wk = 0.0035842 k( 230) = ( 0.6329932 0.6329932 0.2340137), wk = 0.0035842 k( 231) = ( 0.6289631 0.6289631 0.2420738), wk = 0.0035842 k( 232) = ( 0.6249330 0.6249330 0.2501340), wk = 0.0035842 k( 233) = ( 0.6209029 0.6209029 0.2581942), wk = 0.0035842 k( 234) = ( 0.6168728 0.6168728 0.2662544), wk = 0.0035842 k( 235) = ( 0.6128427 0.6128427 0.2743146), wk = 0.0035842 k( 236) = ( 0.6088126 0.6088126 0.2823748), wk = 0.0035842 k( 237) = ( 0.6047825 0.6047825 0.2904350), wk = 0.0035842 k( 238) = ( 0.6007524 0.6007524 0.2984952), wk = 0.0035842 k( 239) = ( 0.5967223 0.5967223 0.3065554), wk = 0.0035842 k( 240) = ( 0.5926922 0.5926922 0.3146156), wk = 0.0035842 k( 241) = ( 0.5886621 0.5886621 0.3226758), wk = 0.0035842 k( 242) = ( 0.5846320 0.5846320 0.3307360), wk = 0.0035842 k( 243) = ( 0.5806019 0.5806019 0.3387962), wk = 0.0035842 k( 244) = ( 0.5765718 0.5765718 0.3468563), wk = 0.0035842 k( 245) = ( 0.5725417 0.5725417 0.3549165), wk = 0.0035842 k( 246) = ( 0.5685116 0.5685116 0.3629767), wk = 0.0035842 k( 247) = ( 0.5644815 0.5644815 0.3710369), wk = 0.0035842 k( 248) = ( 0.5604514 0.5604514 0.3790971), wk = 0.0035842 k( 249) = ( 0.5564214 0.5564214 0.3871573), wk = 0.0035842 k( 250) = ( 0.5523913 0.5523913 0.3952175), wk = 0.0035842 k( 251) = ( 0.5483611 0.5483611 0.4032777), wk = 0.0035842 k( 252) = ( 0.5443311 0.5443311 0.4113379), wk = 0.0035842 k( 253) = ( 0.5403010 0.5403010 0.4193981), wk = 0.0035842 k( 254) = ( 0.5362709 0.5362709 0.4274583), wk = 0.0035842 k( 255) = ( 0.5322408 0.5322408 0.4355185), wk = 0.0035842 k( 256) = ( 0.5282107 0.5282107 0.4435787), wk = 0.0035842 k( 257) = ( 0.5241806 0.5241806 0.4516389), wk = 0.0035842 k( 258) = ( 0.5201505 0.5201505 0.4596990), wk = 0.0035842 k( 259) = ( 0.5161204 0.5161204 0.4677592), wk = 0.0035842 k( 260) = ( 0.5120903 0.5120903 0.4758194), wk = 0.0035842 k( 261) = ( 0.5080602 0.5080602 0.4838796), wk = 0.0035842 k( 262) = ( 0.5040301 0.5040301 0.4919398), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 264) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035842 k( 265) = ( 0.5209565 0.0228551 0.0228551), wk = 0.0035842 k( 266) = ( 0.5419130 0.0457102 0.0457102), wk = 0.0035842 k( 267) = ( 0.5628695 0.0685653 0.0685653), wk = 0.0035842 k( 268) = ( 0.5838260 0.0914203 0.0914203), wk = 0.0035842 k( 269) = ( 0.6047825 0.1142754 0.1142754), wk = 0.0035842 k( 270) = ( 0.6257390 0.1371305 0.1371305), wk = 0.0035842 k( 271) = ( 0.6466955 0.1599856 0.1599856), wk = 0.0035842 k( 272) = ( 0.6676520 0.1828407 0.1828407), wk = 0.0035842 k( 273) = ( 0.6886085 0.2056958 0.2056958), wk = 0.0035842 k( 274) = ( 0.7095650 0.2285508 0.2285508), wk = 0.0035842 k( 275) = ( 0.7305215 0.2514059 0.2514059), wk = 0.0035842 k( 276) = ( 0.7514780 0.2742610 0.2742610), wk = 0.0035842 k( 277) = ( 0.7724345 0.2971161 0.2971161), wk = 0.0035842 k( 278) = ( 0.7933910 0.3199712 0.3199712), wk = 0.0035842 k( 279) = ( 0.8143475 0.3428263 0.3428263), wk = 0.0035842 Dense grid: 66447 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 30099 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 210, 40) NL pseudopotentials 0.22 Mb ( 105, 136) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1846) G-vector shells 0.01 Mb ( 1555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 210, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./KYTe2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.6 secs Computing kpt #: 18 total cpu time spent up to now is 14.2 secs Computing kpt #: 19 total cpu time spent up to now is 14.8 secs Computing kpt #: 20 total cpu time spent up to now is 15.5 secs Computing kpt #: 21 total cpu time spent up to now is 16.1 secs Computing kpt #: 22 total cpu time spent up to now is 16.7 secs Computing kpt #: 23 total cpu time spent up to now is 17.4 secs Computing kpt #: 24 total cpu time spent up to now is 18.0 secs Computing kpt #: 25 total cpu time spent up to now is 18.6 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.9 secs Computing kpt #: 28 total cpu time spent up to now is 20.5 secs Computing kpt #: 29 total cpu time spent up to now is 21.2 secs Computing kpt #: 30 total cpu time spent up to now is 21.8 secs Computing kpt #: 31 total cpu time spent up to now is 22.4 secs Computing kpt #: 32 total cpu time spent up to now is 23.0 secs Computing kpt #: 33 total cpu time spent up to now is 23.7 secs Computing kpt #: 34 total cpu time spent up to now is 24.2 secs Computing kpt #: 35 total cpu time spent up to now is 24.8 secs Computing kpt #: 36 total cpu time spent up to now is 25.3 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.4 secs Computing kpt #: 39 total cpu time spent up to now is 27.0 secs Computing kpt #: 40 total cpu time spent up to now is 27.6 secs Computing kpt #: 41 total cpu time spent up to now is 28.2 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.5 secs Computing kpt #: 44 total cpu time spent up to now is 30.0 secs Computing kpt #: 45 total cpu time spent up to now is 30.7 secs Computing kpt #: 46 total cpu time spent up to now is 31.2 secs Computing kpt #: 47 total cpu time spent up to now is 31.8 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 32.9 secs Computing kpt #: 50 total cpu time spent up to now is 33.4 secs Computing kpt #: 51 total cpu time spent up to now is 34.0 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.1 secs Computing kpt #: 54 total cpu time spent up to now is 35.6 secs Computing kpt #: 55 total cpu time spent up to now is 36.1 secs Computing kpt #: 56 total cpu time spent up to now is 36.7 secs Computing kpt #: 57 total cpu time spent up to now is 37.2 secs Computing kpt #: 58 total cpu time spent up to now is 37.7 secs Computing kpt #: 59 total cpu time spent up to now is 38.2 secs Computing kpt #: 60 total cpu time spent up to now is 38.7 secs Computing kpt #: 61 total cpu time spent up to now is 39.2 secs Computing kpt #: 62 total cpu time spent up to now is 39.7 secs Computing kpt #: 63 total cpu time spent up to now is 40.2 secs Computing kpt #: 64 total cpu time spent up to now is 40.8 secs Computing kpt #: 65 total cpu time spent up to now is 41.3 secs Computing kpt #: 66 total cpu time spent up to now is 41.8 secs Computing kpt #: 67 total cpu time spent up to now is 42.3 secs Computing kpt #: 68 total cpu time spent up to now is 42.8 secs Computing kpt #: 69 total cpu time spent up to now is 43.4 secs Computing kpt #: 70 total cpu time spent up to now is 43.9 secs Computing kpt #: 71 total cpu time spent up to now is 44.4 secs Computing kpt #: 72 total cpu time spent up to now is 45.0 secs Computing kpt #: 73 total cpu time spent up to now is 45.5 secs Computing kpt #: 74 total cpu time spent up to now is 46.1 secs Computing kpt #: 75 total cpu time spent up to now is 46.8 secs Computing kpt #: 76 total cpu time spent up to now is 47.4 secs Computing kpt #: 77 total cpu time spent up to now is 48.0 secs Computing kpt #: 78 total cpu time spent up to now is 48.5 secs Computing kpt #: 79 total cpu time spent up to now is 49.0 secs Computing kpt #: 80 total cpu time spent up to now is 49.6 secs Computing kpt #: 81 total cpu time spent up to now is 50.1 secs Computing kpt #: 82 total cpu time spent up to now is 50.6 secs Computing kpt #: 83 total cpu time spent up to now is 51.2 secs Computing kpt #: 84 total cpu time spent up to now is 51.7 secs Computing kpt #: 85 total cpu time spent up to now is 52.2 secs Computing kpt #: 86 total cpu time spent up to now is 52.7 secs Computing kpt #: 87 total cpu time spent up to now is 53.3 secs Computing kpt #: 88 total cpu time spent up to now is 53.8 secs Computing kpt #: 89 total cpu time spent up to now is 54.4 secs Computing kpt #: 90 total cpu time spent up to now is 55.0 secs Computing kpt #: 91 total cpu time spent up to now is 55.7 secs Computing kpt #: 92 total cpu time spent up to now is 56.3 secs Computing kpt #: 93 total cpu time spent up to now is 56.9 secs Computing kpt #: 94 total cpu time spent up to now is 57.6 secs Computing kpt #: 95 total cpu time spent up to now is 58.2 secs Computing kpt #: 96 total cpu time spent up to now is 58.8 secs Computing kpt #: 97 total cpu time spent up to now is 59.5 secs Computing kpt #: 98 total cpu time spent up to now is 60.1 secs Computing kpt #: 99 total cpu time spent up to now is 60.7 secs Computing kpt #: 100 total cpu time spent up to now is 61.2 secs Computing kpt #: 101 total cpu time spent up to now is 61.7 secs Computing kpt #: 102 total cpu time spent up to now is 62.3 secs Computing kpt #: 103 total cpu time spent up to now is 62.8 secs Computing kpt #: 104 total cpu time spent up to now is 63.3 secs Computing kpt #: 105 total cpu time spent up to now is 63.9 secs Computing kpt #: 106 total cpu time spent up to now is 64.4 secs Computing kpt #: 107 total cpu time spent up to now is 65.0 secs Computing kpt #: 108 total cpu time spent up to now is 65.5 secs Computing kpt #: 109 total cpu time spent up to now is 66.1 secs Computing kpt #: 110 total cpu time spent up to now is 66.7 secs Computing kpt #: 111 total cpu time spent up to now is 67.3 secs Computing kpt #: 112 total cpu time spent up to now is 67.9 secs Computing kpt #: 113 total cpu time spent up to now is 68.6 secs Computing kpt #: 114 total cpu time spent up to now is 69.2 secs Computing kpt #: 115 total cpu time spent up to now is 69.8 secs Computing kpt #: 116 total cpu time spent up to now is 70.5 secs Computing kpt #: 117 total cpu time spent up to now is 71.1 secs Computing kpt #: 118 total cpu time spent up to now is 71.7 secs Computing kpt #: 119 total cpu time spent up to now is 72.3 secs Computing kpt #: 120 total cpu time spent up to now is 72.9 secs Computing kpt #: 121 total cpu time spent up to now is 73.6 secs Computing kpt #: 122 total cpu time spent up to now is 74.2 secs Computing kpt #: 123 total cpu time spent up to now is 74.8 secs Computing kpt #: 124 total cpu time spent up to now is 75.5 secs Computing kpt #: 125 total cpu time spent up to now is 76.1 secs Computing kpt #: 126 total cpu time spent up to now is 76.7 secs Computing kpt #: 127 total cpu time spent up to now is 77.4 secs Computing kpt #: 128 total cpu time spent up to now is 78.0 secs Computing kpt #: 129 total cpu time spent up to now is 78.7 secs Computing kpt #: 130 total cpu time spent up to now is 79.3 secs Computing kpt #: 131 total cpu time spent up to now is 80.0 secs Computing kpt #: 132 total cpu time spent up to now is 80.6 secs Computing kpt #: 133 total cpu time spent up to now is 81.1 secs Computing kpt #: 134 total cpu time spent up to now is 81.7 secs Computing kpt #: 135 total cpu time spent up to now is 82.3 secs Computing kpt #: 136 total cpu time spent up to now is 83.0 secs Computing kpt #: 137 total cpu time spent up to now is 83.6 secs Computing kpt #: 138 total cpu time spent up to now is 84.2 secs Computing kpt #: 139 total cpu time spent up to now is 84.9 secs Computing kpt #: 140 total cpu time spent up to now is 85.5 secs Computing kpt #: 141 total cpu time spent up to now is 86.2 secs Computing kpt #: 142 total cpu time spent up to now is 86.8 secs Computing kpt #: 143 total cpu time spent up to now is 87.4 secs Computing kpt #: 144 total cpu time spent up to now is 88.0 secs Computing kpt #: 145 total cpu time spent up to now is 88.7 secs Computing kpt #: 146 total cpu time spent up to now is 89.2 secs Computing kpt #: 147 total cpu time spent up to now is 89.8 secs Computing kpt #: 148 total cpu time spent up to now is 90.4 secs Computing kpt #: 149 total cpu time spent up to now is 90.9 secs Computing kpt #: 150 total cpu time spent up to now is 91.6 secs Computing kpt #: 151 total cpu time spent up to now is 92.2 secs Computing kpt #: 152 total cpu time spent up to now is 92.8 secs Computing kpt #: 153 total cpu time spent up to now is 93.4 secs Computing kpt #: 154 total cpu time spent up to now is 93.9 secs Computing kpt #: 155 total cpu time spent up to now is 94.4 secs Computing kpt #: 156 total cpu time spent up to now is 95.0 secs Computing kpt #: 157 total cpu time spent up to now is 95.5 secs Computing kpt #: 158 total cpu time spent up to now is 96.0 secs Computing kpt #: 159 total cpu time spent up to now is 96.5 secs Computing kpt #: 160 total cpu time spent up to now is 97.0 secs Computing kpt #: 161 total cpu time spent up to now is 97.5 secs Computing kpt #: 162 total cpu time spent up to now is 98.0 secs Computing kpt #: 163 total cpu time spent up to now is 98.5 secs Computing kpt #: 164 total cpu time spent up to now is 99.0 secs Computing kpt #: 165 total cpu time spent up to now is 99.5 secs Computing kpt #: 166 total cpu time spent up to now is 100.0 secs Computing kpt #: 167 total cpu time spent up to now is 100.5 secs Computing kpt #: 168 total cpu time spent up to now is 101.0 secs Computing kpt #: 169 total cpu time spent up to now is 101.5 secs Computing kpt #: 170 total cpu time spent up to now is 102.0 secs Computing kpt #: 171 total cpu time spent up to now is 102.5 secs Computing kpt #: 172 total cpu time spent up to now is 103.0 secs Computing kpt #: 173 total cpu time spent up to now is 103.5 secs Computing kpt #: 174 total cpu time spent up to now is 104.0 secs Computing kpt #: 175 total cpu time spent up to now is 104.5 secs Computing kpt #: 176 total cpu time spent up to now is 105.0 secs Computing kpt #: 177 total cpu time spent up to now is 105.5 secs Computing kpt #: 178 total cpu time spent up to now is 106.0 secs Computing kpt #: 179 total cpu time spent up to now is 106.5 secs Computing kpt #: 180 total cpu time spent up to now is 107.0 secs Computing kpt #: 181 total cpu time spent up to now is 107.5 secs Computing kpt #: 182 total cpu time spent up to now is 108.0 secs Computing kpt #: 183 total cpu time spent up to now is 108.5 secs Computing kpt #: 184 total cpu time spent up to now is 110.9 secs Computing kpt #: 185 total cpu time spent up to now is 111.4 secs Computing kpt #: 186 total cpu time spent up to now is 111.9 secs Computing kpt #: 187 total cpu time spent up to now is 112.4 secs Computing kpt #: 188 total cpu time spent up to now is 112.9 secs Computing kpt #: 189 total cpu time spent up to now is 113.4 secs Computing kpt #: 190 total cpu time spent up to now is 113.9 secs Computing kpt #: 191 total cpu time spent up to now is 114.5 secs Computing kpt #: 192 total cpu time spent up to now is 115.0 secs Computing kpt #: 193 total cpu time spent up to now is 115.5 secs Computing kpt #: 194 total cpu time spent up to now is 116.1 secs Computing kpt #: 195 total cpu time spent up to now is 116.6 secs Computing kpt #: 196 total cpu time spent up to now is 117.2 secs Computing kpt #: 197 total cpu time spent up to now is 117.7 secs Computing kpt #: 198 total cpu time spent up to now is 118.2 secs Computing kpt #: 199 total cpu time spent up to now is 118.8 secs Computing kpt #: 200 total cpu time spent up to now is 119.3 secs Computing kpt #: 201 total cpu time spent up to now is 119.8 secs Computing kpt #: 202 total cpu time spent up to now is 120.4 secs Computing kpt #: 203 total cpu time spent up to now is 120.9 secs Computing kpt #: 204 total cpu time spent up to now is 121.4 secs Computing kpt #: 205 total cpu time spent up to now is 122.0 secs Computing kpt #: 206 total cpu time spent up to now is 122.5 secs Computing kpt #: 207 total cpu time spent up to now is 123.2 secs Computing kpt #: 208 total cpu time spent up to now is 123.7 secs Computing kpt #: 209 total cpu time spent up to now is 124.3 secs Computing kpt #: 210 total cpu time spent up to now is 124.8 secs Computing kpt #: 211 total cpu time spent up to now is 125.5 secs Computing kpt #: 212 total cpu time spent up to now is 126.1 secs Computing kpt #: 213 total cpu time spent up to now is 126.7 secs Computing kpt #: 214 total cpu time spent up to now is 127.2 secs Computing kpt #: 215 total cpu time spent up to now is 127.9 secs Computing kpt #: 216 total cpu time spent up to now is 128.5 secs Computing kpt #: 217 total cpu time spent up to now is 129.1 secs Computing kpt #: 218 total cpu time spent up to now is 129.7 secs Computing kpt #: 219 total cpu time spent up to now is 130.2 secs Computing kpt #: 220 total cpu time spent up to now is 130.9 secs Computing kpt #: 221 total cpu time spent up to now is 131.4 secs Computing kpt #: 222 total cpu time spent up to now is 132.0 secs Computing kpt #: 223 total cpu time spent up to now is 132.6 secs Computing kpt #: 224 total cpu time spent up to now is 133.2 secs Computing kpt #: 225 total cpu time spent up to now is 133.7 secs Computing kpt #: 226 total cpu time spent up to now is 134.3 secs Computing kpt #: 227 total cpu time spent up to now is 134.9 secs Computing kpt #: 228 total cpu time spent up to now is 135.5 secs Computing kpt #: 229 total cpu time spent up to now is 136.1 secs Computing kpt #: 230 total cpu time spent up to now is 136.8 secs Computing kpt #: 231 total cpu time spent up to now is 137.4 secs Computing kpt #: 232 total cpu time spent up to now is 138.0 secs Computing kpt #: 233 total cpu time spent up to now is 138.6 secs Computing kpt #: 234 total cpu time spent up to now is 139.4 secs Computing kpt #: 235 total cpu time spent up to now is 140.0 secs Computing kpt #: 236 total cpu time spent up to now is 140.7 secs Computing kpt #: 237 total cpu time spent up to now is 141.3 secs Computing kpt #: 238 total cpu time spent up to now is 141.9 secs Computing kpt #: 239 total cpu time spent up to now is 142.6 secs Computing kpt #: 240 total cpu time spent up to now is 143.2 secs Computing kpt #: 241 total cpu time spent up to now is 143.8 secs Computing kpt #: 242 total cpu time spent up to now is 144.5 secs Computing kpt #: 243 total cpu time spent up to now is 145.1 secs Computing kpt #: 244 total cpu time spent up to now is 145.7 secs Computing kpt #: 245 total cpu time spent up to now is 146.2 secs Computing kpt #: 246 total cpu time spent up to now is 146.7 secs Computing kpt #: 247 total cpu time spent up to now is 147.3 secs Computing kpt #: 248 total cpu time spent up to now is 147.8 secs Computing kpt #: 249 total cpu time spent up to now is 148.3 secs Computing kpt #: 250 total cpu time spent up to now is 148.8 secs Computing kpt #: 251 total cpu time spent up to now is 149.4 secs Computing kpt #: 252 total cpu time spent up to now is 149.9 secs Computing kpt #: 253 total cpu time spent up to now is 150.4 secs Computing kpt #: 254 total cpu time spent up to now is 151.0 secs Computing kpt #: 255 total cpu time spent up to now is 151.5 secs Computing kpt #: 256 total cpu time spent up to now is 152.1 secs Computing kpt #: 257 total cpu time spent up to now is 152.7 secs Computing kpt #: 258 total cpu time spent up to now is 153.3 secs Computing kpt #: 259 total cpu time spent up to now is 154.0 secs Computing kpt #: 260 total cpu time spent up to now is 154.6 secs Computing kpt #: 261 total cpu time spent up to now is 155.2 secs Computing kpt #: 262 total cpu time spent up to now is 155.9 secs Computing kpt #: 263 total cpu time spent up to now is 156.5 secs Computing kpt #: 264 total cpu time spent up to now is 157.0 secs Computing kpt #: 265 total cpu time spent up to now is 157.6 secs Computing kpt #: 266 total cpu time spent up to now is 158.2 secs Computing kpt #: 267 total cpu time spent up to now is 158.8 secs Computing kpt #: 268 total cpu time spent up to now is 159.4 secs Computing kpt #: 269 total cpu time spent up to now is 160.0 secs Computing kpt #: 270 total cpu time spent up to now is 160.5 secs Computing kpt #: 271 total cpu time spent up to now is 161.1 secs Computing kpt #: 272 total cpu time spent up to now is 161.7 secs Computing kpt #: 273 total cpu time spent up to now is 162.2 secs Computing kpt #: 274 total cpu time spent up to now is 162.8 secs Computing kpt #: 275 total cpu time spent up to now is 163.4 secs Computing kpt #: 276 total cpu time spent up to now is 163.9 secs Computing kpt #: 277 total cpu time spent up to now is 164.5 secs Computing kpt #: 278 total cpu time spent up to now is 165.0 secs Computing kpt #: 279 total cpu time spent up to now is 165.6 secs ethr = 3.13E-08, avg # of iterations = 19.9 total cpu time spent up to now is 165.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3785 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7606 -6.7606 -6.4954 -6.4954 -6.3936 -6.3936 -4.1549 -4.1549 -3.1688 -3.1688 2.9859 2.9859 4.7276 4.7276 5.0931 5.0931 5.8479 5.8479 6.7302 6.7302 6.8453 6.8453 8.6215 8.6215 8.6262 8.6262 8.7582 8.7582 10.1290 10.1290 k = 0.0119-0.0189-0.0115 ( 3794 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6571 -15.6571 -15.6198 -15.6198 -6.7606 -6.7606 -6.4955 -6.4955 -6.3938 -6.3938 -4.1538 -4.1538 -3.1691 -3.1691 2.9875 2.9875 4.7269 4.7269 5.0920 5.0920 5.8449 5.8449 6.7262 6.7262 6.8378 6.8378 8.6237 8.6237 8.6287 8.6287 8.7606 8.7606 10.1359 10.1359 k = 0.0238-0.0379-0.0231 ( 3797 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6571 -15.6571 -15.6200 -15.6200 -6.7604 -6.7604 -6.4958 -6.4958 -6.3945 -6.3945 -4.1503 -4.1503 -3.1699 -3.1699 2.9922 2.9922 4.7247 4.7247 5.0888 5.0888 5.8358 5.8358 6.7135 6.7135 6.8164 6.8164 8.6268 8.6268 8.6387 8.6387 8.7683 8.7683 10.1532 10.1532 k = 0.0357-0.0568-0.0346 ( 3797 PWs) bands (ev): -36.1179 -36.1179 -22.9563 -22.9563 -17.0812 -17.0812 -15.6571 -15.6571 -15.6204 -15.6204 -6.7601 -6.7601 -6.4963 -6.4963 -6.3955 -6.3955 -4.1447 -4.1447 -3.1713 -3.1713 3.0001 3.0001 4.7209 4.7209 5.0837 5.0837 5.8205 5.8205 6.6901 6.6901 6.7853 6.7853 8.6281 8.6281 8.6565 8.6565 8.7825 8.7825 10.1596 10.1596 k = 0.0476-0.0757-0.0462 ( 3800 PWs) bands (ev): -36.1179 -36.1179 -22.9562 -22.9562 -17.0814 -17.0814 -15.6571 -15.6571 -15.6208 -15.6208 -6.7597 -6.7597 -6.4970 -6.4970 -6.3970 -6.3970 -4.1367 -4.1367 -3.1732 -3.1732 3.0111 3.0111 4.7154 4.7154 5.0769 5.0769 5.7985 5.7985 6.6527 6.6527 6.7508 6.7508 8.6264 8.6264 8.6807 8.6807 8.8038 8.8038 10.1478 10.1478 k = 0.0595-0.0947-0.0577 ( 3800 PWs) bands (ev): -36.1178 -36.1178 -22.9561 -22.9561 -17.0816 -17.0816 -15.6572 -15.6572 -15.6215 -15.6215 -6.7592 -6.7592 -6.4979 -6.4979 -6.3988 -6.3988 -4.1267 -4.1267 -3.1755 -3.1755 3.0250 3.0250 4.7079 4.7079 5.0689 5.0689 5.7694 5.7694 6.6003 6.6003 6.7175 6.7175 8.6209 8.6209 8.7106 8.7106 8.8317 8.8317 10.1332 10.1332 k = 0.0714-0.1136-0.0692 ( 3805 PWs) bands (ev): -36.1178 -36.1178 -22.9560 -22.9560 -17.0819 -17.0819 -15.6573 -15.6573 -15.6222 -15.6222 -6.7586 -6.7586 -6.4990 -6.4990 -6.4010 -6.4010 -4.1145 -4.1145 -3.1783 -3.1783 3.0419 3.0419 4.6982 4.6982 5.0600 5.0600 5.7328 5.7328 6.5364 6.5364 6.6853 6.6853 8.6117 8.6117 8.7455 8.7455 8.8650 8.8650 10.1204 10.1204 k = 0.0833-0.1326-0.0808 ( 3801 PWs) bands (ev): -36.1177 -36.1177 -22.9558 -22.9558 -17.0822 -17.0822 -15.6573 -15.6573 -15.6231 -15.6231 -6.7580 -6.7580 -6.5003 -6.5003 -6.4035 -6.4035 -4.1002 -4.1002 -3.1815 -3.1815 3.0617 3.0617 4.6862 4.6862 5.0508 5.0508 5.6881 5.6881 6.4661 6.4661 6.6529 6.6529 8.5991 8.5991 8.7845 8.7845 8.9025 8.9025 10.1115 10.1115 k = 0.0952-0.1515-0.0923 ( 3797 PWs) bands (ev): -36.1177 -36.1177 -22.9556 -22.9556 -17.0826 -17.0826 -15.6575 -15.6575 -15.6241 -15.6241 -6.7573 -6.7573 -6.5018 -6.5018 -6.4062 -6.4062 -4.0840 -4.0840 -3.1851 -3.1851 3.0841 3.0841 4.6715 4.6715 5.0417 5.0417 5.6351 5.6351 6.3932 6.3932 6.6192 6.6192 8.5838 8.5838 8.8269 8.8269 8.9429 8.9429 10.1074 10.1074 k = 0.1071-0.1704-0.1039 ( 3793 PWs) bands (ev): -36.1176 -36.1176 -22.9554 -22.9554 -17.0830 -17.0830 -15.6576 -15.6576 -15.6251 -15.6251 -6.7565 -6.7565 -6.5035 -6.5035 -6.4091 -6.4091 -4.0660 -4.0660 -3.1891 -3.1891 3.1092 3.1092 4.6541 4.6541 5.0331 5.0331 5.5736 5.5736 6.3207 6.3207 6.5840 6.5840 8.5661 8.5661 8.8721 8.8721 8.9854 8.9854 10.1086 10.1086 k = 0.1190-0.1894-0.1154 ( 3793 PWs) bands (ev): -36.1175 -36.1175 -22.9552 -22.9552 -17.0835 -17.0835 -15.6577 -15.6577 -15.6263 -15.6263 -6.7558 -6.7558 -6.5054 -6.5054 -6.4121 -6.4121 -4.0462 -4.0462 -3.1933 -3.1933 3.1366 3.1366 4.6339 4.6339 5.0250 5.0250 5.5041 5.5041 6.2503 6.2503 6.5471 6.5471 8.5464 8.5464 8.9193 8.9193 9.0295 9.0295 10.1154 10.1154 k = 0.1310-0.2083-0.1269 ( 3792 PWs) bands (ev): -36.1174 -36.1174 -22.9549 -22.9549 -17.0840 -17.0840 -15.6579 -15.6579 -15.6275 -15.6275 -6.7551 -6.7551 -6.5074 -6.5074 -6.4152 -6.4152 -4.0248 -4.0248 -3.1977 -3.1977 3.1662 3.1662 4.6108 4.6108 5.0177 5.0177 5.4275 5.4275 6.1831 6.1831 6.5088 6.5088 8.5251 8.5251 8.9679 8.9679 9.0748 9.0748 10.1278 10.1278 k = 0.1429-0.2272-0.1385 ( 3794 PWs) bands (ev): -36.1173 -36.1173 -22.9547 -22.9547 -17.0846 -17.0846 -15.6582 -15.6582 -15.6288 -15.6288 -6.7545 -6.7545 -6.5096 -6.5096 -6.4183 -6.4183 -4.0018 -4.0018 -3.2023 -3.2023 3.1979 3.1979 4.5851 4.5851 5.0106 5.0106 5.3455 5.3455 6.1194 6.1194 6.4690 6.4690 8.5025 8.5025 9.0174 9.0174 9.1210 9.1210 10.1455 10.1455 k = 0.1548-0.2462-0.1500 ( 3790 PWs) bands (ev): -36.1172 -36.1172 -22.9544 -22.9544 -17.0852 -17.0852 -15.6585 -15.6585 -15.6302 -15.6302 -6.7540 -6.7540 -6.5119 -6.5119 -6.4215 -6.4215 -3.9775 -3.9775 -3.2070 -3.2070 3.2313 3.2313 4.5570 4.5570 5.0030 5.0030 5.2604 5.2604 6.0590 6.0590 6.4280 6.4280 8.4788 8.4788 9.0672 9.0672 9.1679 9.1679 10.1681 10.1681 k = 0.1667-0.2651-0.1615 ( 3781 PWs) bands (ev): -36.1171 -36.1171 -22.9541 -22.9541 -17.0858 -17.0858 -15.6588 -15.6588 -15.6315 -15.6315 -6.7535 -6.7535 -6.5143 -6.5143 -6.4245 -6.4245 -3.9520 -3.9520 -3.2117 -3.2117 3.2662 3.2662 4.5267 4.5267 4.9920 4.9920 5.1765 5.1765 6.0017 6.0017 6.3858 6.3858 8.4543 8.4543 9.1171 9.1171 9.2154 9.2154 10.1952 10.1952 k = 0.1786-0.2840-0.1731 ( 3775 PWs) bands (ev): -36.1170 -36.1170 -22.9538 -22.9538 -17.0864 -17.0864 -15.6592 -15.6592 -15.6329 -15.6329 -6.7533 -6.7533 -6.5168 -6.5168 -6.4275 -6.4275 -3.9253 -3.9253 -3.2165 -3.2165 3.3023 3.3023 4.4944 4.4944 4.9692 4.9692 5.1038 5.1038 5.9470 5.9470 6.3426 6.3426 8.4292 8.4292 9.1665 9.1665 9.2634 9.2634 10.2262 10.2262 k = 0.1905-0.3030-0.1846 ( 3777 PWs) bands (ev): -36.1169 -36.1169 -22.9535 -22.9535 -17.0871 -17.0871 -15.6597 -15.6597 -15.6342 -15.6342 -6.7532 -6.7532 -6.5193 -6.5193 -6.4303 -6.4303 -3.8977 -3.8977 -3.2212 -3.2212 3.3393 3.3393 4.4602 4.4602 4.9188 4.9188 5.0595 5.0595 5.8944 5.8944 6.2985 6.2985 8.4037 8.4037 9.2154 9.2154 9.3119 9.3119 10.2603 10.2603 k = 0.2024-0.3219-0.1962 ( 3773 PWs) bands (ev): -36.1168 -36.1168 -22.9531 -22.9531 -17.0878 -17.0878 -15.6603 -15.6603 -15.6355 -15.6355 -6.7533 -6.7533 -6.5218 -6.5218 -6.4330 -6.4330 -3.8694 -3.8694 -3.2258 -3.2258 3.3766 3.3766 4.4243 4.4243 4.8440 4.8440 5.0419 5.0419 5.8437 5.8437 6.2537 6.2537 8.3781 8.3781 9.2634 9.2634 9.3608 9.3608 10.2968 10.2968 k = 0.2143-0.3409-0.2077 ( 3770 PWs) bands (ev): -36.1166 -36.1166 -22.9528 -22.9528 -17.0885 -17.0885 -15.6610 -15.6610 -15.6367 -15.6367 -6.7537 -6.7537 -6.5243 -6.5243 -6.4355 -6.4355 -3.8404 -3.8404 -3.2302 -3.2302 3.4139 3.4139 4.3864 4.3864 4.7618 4.7618 5.0354 5.0354 5.7945 5.7945 6.2084 6.2084 8.3526 8.3526 9.3102 9.3102 9.4102 9.4102 10.3349 10.3349 k = 0.2262-0.3598-0.2192 ( 3780 PWs) bands (ev): -36.1165 -36.1165 -22.9525 -22.9525 -17.0892 -17.0892 -15.6618 -15.6618 -15.6379 -15.6379 -6.7543 -6.7543 -6.5268 -6.5268 -6.4378 -6.4378 -3.8109 -3.8109 -3.2345 -3.2345 3.4506 3.4506 4.3462 4.3462 4.6808 4.6808 5.0331 5.0331 5.7466 5.7466 6.1627 6.1627 8.3274 8.3274 9.3556 9.3556 9.4601 9.4601 10.3739 10.3739 k = 0.2381-0.3787-0.2308 ( 3776 PWs) bands (ev): -36.1164 -36.1164 -22.9521 -22.9521 -17.0900 -17.0900 -15.6627 -15.6627 -15.6389 -15.6389 -6.7552 -6.7552 -6.5291 -6.5291 -6.4398 -6.4398 -3.7811 -3.7811 -3.2386 -3.2386 3.4859 3.4859 4.3032 4.3032 4.6051 4.6051 5.0328 5.0328 5.6999 5.6999 6.1169 6.1169 8.3026 8.3026 9.3993 9.3993 9.5106 9.5106 10.4131 10.4131 k = 0.2500-0.3977-0.2423 ( 3778 PWs) bands (ev): -36.1163 -36.1163 -22.9518 -22.9518 -17.0907 -17.0907 -15.6637 -15.6637 -15.6399 -15.6399 -6.7564 -6.7564 -6.5312 -6.5312 -6.4417 -6.4417 -3.7512 -3.7512 -3.2424 -3.2424 3.5189 3.5189 4.2569 4.2569 4.5375 4.5375 5.0335 5.0335 5.6542 5.6542 6.0712 6.0712 8.2784 8.2784 9.4411 9.4411 9.5615 9.5615 10.4519 10.4519 k = 0.2619-0.4166-0.2539 ( 3776 PWs) bands (ev): -36.1162 -36.1162 -22.9514 -22.9514 -17.0915 -17.0915 -15.6648 -15.6648 -15.6407 -15.6407 -6.7579 -6.7579 -6.5333 -6.5333 -6.4433 -6.4433 -3.7213 -3.7213 -3.2459 -3.2459 3.5485 3.5485 4.2072 4.2072 4.4801 4.4801 5.0346 5.0346 5.6094 5.6094 6.0260 6.0260 8.2550 8.2550 9.4811 9.4811 9.6125 9.6125 10.4900 10.4900 k = 0.2738-0.4355-0.2654 ( 3770 PWs) bands (ev): -36.1160 -36.1160 -22.9511 -22.9511 -17.0922 -17.0922 -15.6661 -15.6661 -15.6415 -15.6415 -6.7596 -6.7596 -6.5351 -6.5351 -6.4447 -6.4447 -3.6916 -3.6916 -3.2492 -3.2492 3.5733 3.5733 4.1552 4.1552 4.4338 4.4338 5.0360 5.0360 5.5656 5.5656 5.9813 5.9813 8.2325 8.2325 9.5193 9.5193 9.6632 9.6632 10.5271 10.5271 k = 0.2857-0.4545-0.2769 ( 3768 PWs) bands (ev): -36.1159 -36.1159 -22.9507 -22.9507 -17.0929 -17.0929 -15.6673 -15.6673 -15.6421 -15.6421 -6.7616 -6.7616 -6.5368 -6.5368 -6.4459 -6.4459 -3.6622 -3.6622 -3.2521 -3.2521 3.5917 3.5917 4.1030 4.1030 4.3982 4.3982 5.0373 5.0373 5.5225 5.5225 5.9377 5.9377 8.2110 8.2110 9.5558 9.5558 9.7129 9.7129 10.5629 10.5629 k = 0.2976-0.4734-0.2885 ( 3762 PWs) bands (ev): -36.1158 -36.1158 -22.9504 -22.9504 -17.0937 -17.0937 -15.6687 -15.6687 -15.6427 -15.6427 -6.7638 -6.7638 -6.5383 -6.5383 -6.4469 -6.4469 -3.6333 -3.6333 -3.2548 -3.2548 3.6017 3.6017 4.0537 4.0537 4.3728 4.3728 5.0384 5.0384 5.4803 5.4803 5.8953 5.8953 8.1906 8.1906 9.5907 9.5907 9.7607 9.7607 10.5972 10.5972 k = 0.3095-0.4924-0.3000 ( 3769 PWs) bands (ev): -36.1157 -36.1157 -22.9501 -22.9501 -17.0944 -17.0944 -15.6701 -15.6701 -15.6431 -15.6431 -6.7662 -6.7662 -6.5396 -6.5396 -6.4476 -6.4476 -3.6050 -3.6050 -3.2573 -3.2573 3.6017 3.6017 4.0098 4.0098 4.3569 4.3569 5.0391 5.0391 5.4389 5.4389 5.8545 5.8545 8.1714 8.1714 9.6241 9.6241 9.8057 9.8057 10.6269 10.6269 k = 0.3214-0.5113-0.3116 ( 3769 PWs) bands (ev): -36.1156 -36.1156 -22.9497 -22.9497 -17.0951 -17.0951 -15.6715 -15.6715 -15.6435 -15.6435 -6.7688 -6.7688 -6.5407 -6.5407 -6.4482 -6.4482 -3.5775 -3.5775 -3.2595 -3.2595 3.5908 3.5908 3.9730 3.9730 4.3497 4.3497 5.0393 5.0393 5.3984 5.3984 5.8155 5.8155 8.1534 8.1534 9.6561 9.6561 9.8469 9.8469 10.6328 10.6328 k = 0.3333-0.5302-0.3231 ( 3761 PWs) bands (ev): -36.1154 -36.1154 -22.9494 -22.9494 -17.0957 -17.0957 -15.6729 -15.6729 -15.6438 -15.6438 -6.7715 -6.7715 -6.5417 -6.5417 -6.4486 -6.4486 -3.5509 -3.5509 -3.2614 -3.2614 3.5698 3.5698 3.9434 3.9434 4.3506 4.3506 5.0388 5.0388 5.3589 5.3589 5.7786 5.7786 8.1367 8.1367 9.6869 9.6869 9.8832 9.8832 10.6029 10.6029 k = 0.3452-0.5492-0.3346 ( 3754 PWs) bands (ev): -36.1153 -36.1153 -22.9491 -22.9491 -17.0964 -17.0964 -15.6743 -15.6743 -15.6440 -15.6440 -6.7742 -6.7742 -6.5425 -6.5425 -6.4489 -6.4489 -3.5254 -3.5254 -3.2633 -3.2633 3.5407 3.5407 3.9196 3.9196 4.3587 4.3587 5.0374 5.0374 5.3206 5.3206 5.7441 5.7441 8.1212 8.1212 9.7164 9.7164 9.9139 9.9139 10.5666 10.5666 k = 0.3571-0.5681-0.3462 ( 3752 PWs) bands (ev): -36.1152 -36.1152 -22.9488 -22.9488 -17.0970 -17.0970 -15.6756 -15.6756 -15.6442 -15.6442 -6.7770 -6.7770 -6.5432 -6.5432 -6.4490 -6.4490 -3.5009 -3.5009 -3.2649 -3.2649 3.5065 3.5065 3.9000 3.9000 4.3730 4.3730 5.0347 5.0347 5.2839 5.2839 5.7121 5.7121 8.1071 8.1071 9.7446 9.7446 9.9386 9.9386 10.5321 10.5321 k = 0.3690-0.5870-0.3577 ( 3750 PWs) bands (ev): -36.1151 -36.1151 -22.9486 -22.9486 -17.0976 -17.0976 -15.6769 -15.6769 -15.6444 -15.6444 -6.7797 -6.7797 -6.5438 -6.5438 -6.4490 -6.4490 -3.4777 -3.4777 -3.2666 -3.2666 3.4700 3.4700 3.8830 3.8830 4.3922 4.3922 5.0304 5.0304 5.2490 5.2490 5.6827 5.6827 8.0942 8.0942 9.7714 9.7714 9.9572 9.9572 10.5004 10.5004 k = 0.3810-0.6060-0.3692 ( 3748 PWs) bands (ev): -36.1150 -36.1150 -22.9483 -22.9483 -17.0981 -17.0981 -15.6781 -15.6781 -15.6445 -15.6445 -6.7824 -6.7824 -6.5443 -6.5443 -6.4489 -6.4489 -3.4558 -3.4558 -3.2682 -3.2682 3.4332 3.4332 3.8677 3.8677 4.4152 4.4152 5.0239 5.0239 5.2168 5.2168 5.6561 5.6561 8.0826 8.0826 9.7967 9.7967 9.9703 9.9703 10.4718 10.4718 k = 0.3929-0.6249-0.3808 ( 3742 PWs) bands (ev): -36.1149 -36.1149 -22.9481 -22.9481 -17.0986 -17.0986 -15.6793 -15.6793 -15.6446 -15.6446 -6.7849 -6.7849 -6.5447 -6.5447 -6.4488 -6.4488 -3.4353 -3.4353 -3.2699 -3.2699 3.3976 3.3976 3.8536 3.8536 4.4408 4.4408 5.0147 5.0147 5.1880 5.1880 5.6322 5.6322 8.0722 8.0722 9.8204 9.8204 9.9785 9.9785 10.4463 10.4463 k = 0.4048-0.6438-0.3923 ( 3745 PWs) bands (ev): -36.1149 -36.1149 -22.9479 -22.9479 -17.0991 -17.0991 -15.6803 -15.6803 -15.6447 -15.6447 -6.7873 -6.7873 -6.5451 -6.5451 -6.4485 -6.4485 -3.4162 -3.4162 -3.2718 -3.2718 3.3643 3.3643 3.8407 3.8407 4.4681 4.4681 5.0020 5.0020 5.1634 5.1634 5.6112 5.6112 8.0631 8.0631 9.8422 9.8422 9.9830 9.9830 10.4237 10.4237 k = 0.4167-0.6628-0.4039 ( 3743 PWs) bands (ev): -36.1148 -36.1148 -22.9477 -22.9477 -17.0995 -17.0995 -15.6813 -15.6813 -15.6448 -15.6448 -6.7895 -6.7895 -6.5454 -6.5454 -6.4483 -6.4483 -3.3986 -3.3986 -3.2739 -3.2739 3.3339 3.3339 3.8289 3.8289 4.4963 4.4963 4.9856 4.9856 5.1436 5.1436 5.5929 5.5929 8.0552 8.0552 9.8619 9.8619 9.9847 9.9847 10.4038 10.4038 k = 0.4286-0.6817-0.4154 ( 3749 PWs) bands (ev): -36.1148 -36.1148 -22.9475 -22.9475 -17.0998 -17.0998 -15.6821 -15.6821 -15.6448 -15.6448 -6.7915 -6.7915 -6.5457 -6.5457 -6.4480 -6.4480 -3.3825 -3.3825 -3.2763 -3.2763 3.3070 3.3070 3.8184 3.8184 4.5246 4.5246 4.9659 4.9659 5.1286 5.1286 5.5773 5.5773 8.0484 8.0484 9.8792 9.8792 9.9846 9.9846 10.3867 10.3867 k = 0.4405-0.7007-0.4269 ( 3746 PWs) bands (ev): -36.1147 -36.1147 -22.9474 -22.9474 -17.1001 -17.1001 -15.6829 -15.6829 -15.6449 -15.6449 -6.7932 -6.7932 -6.5459 -6.5459 -6.4477 -6.4477 -3.3680 -3.3680 -3.2790 -3.2790 3.2839 3.2839 3.8093 3.8093 4.5522 4.5522 4.9440 4.9440 5.1176 5.1176 5.5643 5.5643 8.0427 8.0427 9.8939 9.8939 9.9838 9.9838 10.3722 10.3722 k = 0.4524-0.7196-0.4385 ( 3744 PWs) bands (ev): -36.1147 -36.1147 -22.9473 -22.9473 -17.1004 -17.1004 -15.6835 -15.6835 -15.6449 -15.6449 -6.7947 -6.7947 -6.5460 -6.5460 -6.4475 -6.4475 -3.3552 -3.3552 -3.2821 -3.2821 3.2647 3.2647 3.8017 3.8017 4.5784 4.5784 4.9214 4.9214 5.1099 5.1099 5.5538 5.5538 8.0381 8.0381 9.9057 9.9057 9.9828 9.9828 10.3603 10.3603 k = 0.4643-0.7385-0.4500 ( 3742 PWs) bands (ev): -36.1146 -36.1146 -22.9472 -22.9472 -17.1006 -17.1006 -15.6839 -15.6839 -15.6449 -15.6449 -6.7958 -6.7958 -6.5461 -6.5461 -6.4473 -6.4473 -3.3441 -3.3441 -3.2855 -3.2855 3.2497 3.2497 3.7957 3.7957 4.6020 4.6020 4.9000 4.9000 5.1045 5.1045 5.5457 5.5457 8.0345 8.0345 9.9146 9.9146 9.9822 9.9822 10.3510 10.3510 k = 0.4762-0.7575-0.4616 ( 3738 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6843 -15.6843 -15.6449 -15.6449 -6.7966 -6.7966 -6.5462 -6.5462 -6.4472 -6.4472 -3.3352 -3.3352 -3.2890 -3.2890 3.2389 3.2389 3.7913 3.7913 4.6215 4.6215 4.8817 4.8817 5.1011 5.1011 5.5400 5.5400 8.0320 8.0320 9.9205 9.9205 9.9819 9.9819 10.3443 10.3443 k = 0.4881-0.7764-0.4731 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7971 -6.7971 -6.5463 -6.5463 -6.4471 -6.4471 -3.3289 -3.3289 -3.2919 -3.2919 3.2324 3.2324 3.7886 3.7886 4.6347 4.6347 4.8692 4.8692 5.0991 5.0991 5.5366 5.5366 8.0305 8.0305 9.9239 9.9239 9.9819 9.9819 10.3403 10.3403 k = 0.5000-0.7953-0.4846 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6449 -15.6449 -6.7973 -6.7973 -6.5463 -6.5463 -6.4470 -6.4470 -3.3266 -3.3266 -3.2931 -3.2931 3.2303 3.2303 3.7877 3.7877 4.6395 4.6395 4.8646 4.8646 5.0985 5.0985 5.5355 5.5355 8.0300 8.0300 9.9250 9.9250 9.9820 9.9820 10.3390 10.3390 k = 0.5000-0.7953-0.4846 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6449 -15.6449 -6.7973 -6.7973 -6.5463 -6.5463 -6.4470 -6.4470 -3.3266 -3.3266 -3.2931 -3.2931 3.2303 3.2303 3.7877 3.7877 4.6395 4.6395 4.8646 4.8646 5.0985 5.0985 5.5355 5.5355 8.0300 8.0300 9.9250 9.9250 9.9820 9.9820 10.3390 10.3390 k = 0.5000-0.7824-0.5058 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6450 -15.6450 -6.7972 -6.7972 -6.5463 -6.5463 -6.4472 -6.4472 -3.3264 -3.3264 -3.2929 -3.2929 3.2313 3.2313 3.7878 3.7878 4.6393 4.6393 4.8643 4.8643 5.0975 5.0975 5.5306 5.5306 8.0360 8.0360 9.9235 9.9235 9.9802 9.9802 10.3427 10.3427 k = 0.5000-0.7695-0.5270 ( 3742 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1009 -17.1009 -15.6844 -15.6844 -15.6451 -15.6451 -6.7969 -6.7969 -6.5462 -6.5462 -6.4478 -6.4478 -3.3258 -3.3258 -3.2924 -3.2924 3.2344 3.2344 3.7879 3.7879 4.6388 4.6388 4.8633 4.8633 5.0944 5.0944 5.5162 5.5162 8.0538 8.0538 9.9192 9.9192 9.9750 9.9750 10.3536 10.3536 k = 0.5000-0.7566-0.5482 ( 3732 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1009 -17.1009 -15.6843 -15.6843 -15.6454 -15.6454 -6.7965 -6.7965 -6.5461 -6.5461 -6.4486 -6.4486 -3.3248 -3.3248 -3.2915 -3.2915 3.2396 3.2396 3.7882 3.7882 4.6379 4.6379 4.8618 4.8618 5.0894 5.0894 5.4931 5.4931 8.0826 8.0826 9.9123 9.9123 9.9666 9.9666 10.3704 10.3704 k = 0.5000-0.7437-0.5694 ( 3736 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1010 -17.1010 -15.6841 -15.6841 -15.6458 -15.6458 -6.7959 -6.7959 -6.5460 -6.5460 -6.4499 -6.4499 -3.3233 -3.3233 -3.2903 -3.2903 3.2467 3.2467 3.7885 3.7885 4.6364 4.6364 4.8597 4.8597 5.0822 5.0822 5.4625 5.4625 8.1216 8.1216 9.9032 9.9032 9.9555 9.9555 10.3914 10.3914 k = 0.5000-0.7307-0.5906 ( 3734 PWs) bands (ev): -36.1145 -36.1145 -22.9469 -22.9469 -17.1010 -17.1010 -15.6839 -15.6839 -15.6462 -15.6462 -6.7951 -6.7951 -6.5459 -6.5459 -6.4514 -6.4514 -3.3215 -3.3215 -3.2888 -3.2888 3.2559 3.2559 3.7888 3.7888 4.6340 4.6340 4.8570 4.8570 5.0728 5.0728 5.4260 5.4260 8.1695 8.1695 9.8918 9.8918 9.9424 9.9424 10.4146 10.4146 k = 0.5000-0.7178-0.6119 ( 3740 PWs) bands (ev): -36.1145 -36.1145 -22.9469 -22.9469 -17.1011 -17.1011 -15.6836 -15.6836 -15.6468 -15.6468 -6.7942 -6.7942 -6.5457 -6.5457 -6.4532 -6.4532 -3.3194 -3.3194 -3.2870 -3.2870 3.2670 3.2670 3.7891 3.7891 4.6304 4.6304 4.8538 4.8538 5.0612 5.0612 5.3854 5.3854 8.2249 8.2249 9.8777 9.8777 9.9286 9.9286 10.4372 10.4372 k = 0.5000-0.7049-0.6331 ( 3740 PWs) bands (ev): -36.1145 -36.1145 -22.9469 -22.9469 -17.1012 -17.1012 -15.6833 -15.6833 -15.6475 -15.6475 -6.7932 -6.7932 -6.5455 -6.5455 -6.4553 -6.4553 -3.3169 -3.3169 -3.2849 -3.2849 3.2801 3.2801 3.7894 3.7894 4.6253 4.6253 4.8499 4.8499 5.0474 5.0474 5.3427 5.3427 8.2864 8.2864 9.8598 9.8598 9.9152 9.9152 10.4566 10.4566 k = 0.5000-0.6920-0.6543 ( 3744 PWs) bands (ev): -36.1145 -36.1145 -22.9468 -22.9468 -17.1013 -17.1013 -15.6829 -15.6829 -15.6482 -15.6482 -6.7920 -6.7920 -6.5454 -6.5454 -6.4576 -6.4576 -3.3141 -3.3141 -3.2826 -3.2826 3.2949 3.2949 3.7896 3.7896 4.6179 4.6179 4.8452 4.8452 5.0316 5.0316 5.3002 5.3002 8.3526 8.3526 9.8377 9.8377 9.9031 9.9031 10.4705 10.4705 k = 0.5000-0.6791-0.6755 ( 3750 PWs) bands (ev): -36.1145 -36.1145 -22.9468 -22.9468 -17.1014 -17.1014 -15.6825 -15.6825 -15.6490 -15.6490 -6.7908 -6.7908 -6.5452 -6.5452 -6.4600 -6.4600 -3.3110 -3.3110 -3.2801 -3.2801 3.3115 3.3115 3.7896 3.7896 4.6076 4.6076 4.8391 4.8391 5.0142 5.0142 5.2597 5.2597 8.4222 8.4222 9.8115 9.8115 9.8924 9.8924 10.4775 10.4775 k = 0.5000-0.6661-0.6967 ( 3752 PWs) bands (ev): -36.1145 -36.1145 -22.9467 -22.9467 -17.1016 -17.1016 -15.6820 -15.6820 -15.6498 -15.6498 -6.7894 -6.7894 -6.5451 -6.5451 -6.4625 -6.4625 -3.3077 -3.3077 -3.2775 -3.2775 3.3297 3.3297 3.7893 3.7893 4.5936 4.5936 4.8313 4.8313 4.9966 4.9966 5.2229 5.2229 8.4940 8.4940 9.7818 9.7818 9.8824 9.8824 10.4780 10.4780 k = 0.5000-0.6532-0.7179 ( 3760 PWs) bands (ev): -36.1145 -36.1145 -22.9466 -22.9466 -17.1017 -17.1017 -15.6816 -15.6816 -15.6507 -15.6507 -6.7881 -6.7881 -6.5450 -6.5450 -6.4651 -6.4651 -3.3042 -3.3042 -3.2748 -3.2748 3.3494 3.3494 3.7888 3.7888 4.5749 4.5749 4.8212 4.8212 4.9803 4.9803 5.1908 5.1908 8.5668 8.5668 9.7493 9.7493 9.8722 9.8722 10.4735 10.4735 k = 0.5000-0.6403-0.7391 ( 3756 PWs) bands (ev): -36.1144 -36.1144 -22.9466 -22.9466 -17.1018 -17.1018 -15.6811 -15.6811 -15.6517 -15.6517 -6.7867 -6.7867 -6.5450 -6.5450 -6.4676 -6.4676 -3.3006 -3.3006 -3.2720 -3.2720 3.3704 3.3704 3.7879 3.7879 4.5506 4.5506 4.8087 4.8087 4.9672 4.9672 5.1635 5.1635 8.6397 8.6397 9.7147 9.7147 9.8610 9.8610 10.4667 10.4667 k = 0.5000-0.6274-0.7603 ( 3750 PWs) bands (ev): -36.1144 -36.1144 -22.9465 -22.9465 -17.1020 -17.1020 -15.6806 -15.6806 -15.6527 -15.6527 -6.7853 -6.7853 -6.5451 -6.5451 -6.4701 -6.4701 -3.2968 -3.2968 -3.2693 -3.2693 3.3927 3.3927 3.7865 3.7865 4.5206 4.5206 4.7945 4.7945 4.9584 4.9584 5.1410 5.1410 8.7116 8.7116 9.6787 9.6787 9.8479 9.8479 10.4600 10.4600 k = 0.5000-0.6145-0.7815 ( 3748 PWs) bands (ev): -36.1144 -36.1144 -22.9464 -22.9464 -17.1021 -17.1021 -15.6800 -15.6800 -15.6536 -15.6536 -6.7840 -6.7840 -6.5452 -6.5452 -6.4725 -6.4725 -3.2929 -3.2929 -3.2667 -3.2667 3.4159 3.4159 3.7845 3.7845 4.4852 4.4852 4.7798 4.7798 4.9537 4.9537 5.1226 5.1226 8.7814 8.7814 9.6420 9.6420 9.8322 9.8322 10.4556 10.4556 k = 0.5000-0.6015-0.8027 ( 3746 PWs) bands (ev): -36.1143 -36.1143 -22.9463 -22.9463 -17.1023 -17.1023 -15.6795 -15.6795 -15.6546 -15.6546 -6.7827 -6.7827 -6.5453 -6.5453 -6.4747 -6.4747 -3.2890 -3.2890 -3.2641 -3.2641 3.4399 3.4399 3.7819 3.7819 4.4457 4.4457 4.7654 4.7654 4.9525 4.9525 5.1081 5.1081 8.8480 8.8480 9.6057 9.6057 9.8133 9.8133 10.4552 10.4552 k = 0.5000-0.5886-0.8239 ( 3752 PWs) bands (ev): -36.1143 -36.1143 -22.9463 -22.9463 -17.1024 -17.1024 -15.6790 -15.6790 -15.6555 -15.6555 -6.7815 -6.7815 -6.5456 -6.5456 -6.4767 -6.4767 -3.2852 -3.2852 -3.2618 -3.2618 3.4642 3.4642 3.7785 3.7785 4.4035 4.4035 4.7519 4.7519 4.9542 4.9542 5.0971 5.0971 8.9101 8.9101 9.5709 9.5709 9.7909 9.7909 10.4602 10.4602 k = 0.5000-0.5757-0.8451 ( 3754 PWs) bands (ev): -36.1143 -36.1143 -22.9462 -22.9462 -17.1025 -17.1025 -15.6785 -15.6785 -15.6565 -15.6565 -6.7804 -6.7804 -6.5459 -6.5459 -6.4785 -6.4785 -3.2814 -3.2814 -3.2597 -3.2597 3.4885 3.4885 3.7741 3.7741 4.3608 4.3608 4.7393 4.7393 4.9582 4.9582 5.0894 5.0894 8.9660 8.9660 9.5394 9.5394 9.7649 9.7649 10.4710 10.4710 k = 0.5000-0.5628-0.8663 ( 3746 PWs) bands (ev): -36.1143 -36.1143 -22.9461 -22.9461 -17.1026 -17.1026 -15.6780 -15.6780 -15.6573 -15.6573 -6.7794 -6.7794 -6.5462 -6.5462 -6.4800 -6.4800 -3.2777 -3.2777 -3.2580 -3.2580 3.5123 3.5123 3.7688 3.7688 4.3192 4.3192 4.7274 4.7274 4.9640 4.9640 5.0847 5.0847 9.0132 9.0132 9.5133 9.5133 9.7356 9.7356 10.4878 10.4878 k = 0.5000-0.5499-0.8875 ( 3742 PWs) bands (ev): -36.1142 -36.1142 -22.9461 -22.9461 -17.1028 -17.1028 -15.6776 -15.6776 -15.6581 -15.6581 -6.7786 -6.7786 -6.5466 -6.5466 -6.4812 -6.4812 -3.2741 -3.2741 -3.2566 -3.2566 3.5349 3.5349 3.7624 3.7624 4.2805 4.2805 4.7163 4.7163 4.9713 4.9713 5.0828 5.0828 9.0490 9.0490 9.4956 9.4956 9.7036 9.7036 10.5106 10.5106 k = 0.5000-0.5370-0.9087 ( 3748 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1028 -17.1028 -15.6772 -15.6772 -15.6587 -15.6587 -6.7779 -6.7779 -6.5470 -6.5470 -6.4822 -6.4822 -3.2708 -3.2708 -3.2556 -3.2556 3.5556 3.5556 3.7550 3.7550 4.2462 4.2462 4.7057 4.7057 4.9799 4.9799 5.0834 5.0834 9.0704 9.0704 9.4888 9.4888 9.6698 9.6698 10.5388 10.5388 k = 0.5000-0.5240-0.9299 ( 3748 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1029 -17.1029 -15.6769 -15.6769 -15.6593 -15.6593 -6.7773 -6.7773 -6.5473 -6.5473 -6.4830 -6.4830 -3.2678 -3.2678 -3.2551 -3.2551 3.5732 3.5732 3.7468 3.7468 4.2178 4.2178 4.6958 4.6958 4.9899 4.9899 5.0865 5.0865 9.0761 9.0761 9.4928 9.4928 9.6362 9.6362 10.5720 10.5720 k = 0.5000-0.5111-0.9511 ( 3752 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6767 -15.6767 -15.6597 -15.6597 -6.7769 -6.7769 -6.5476 -6.5476 -6.4835 -6.4835 -3.2651 -3.2651 -3.2551 -3.2551 3.5866 3.5866 3.7386 3.7386 4.1964 4.1964 4.6868 4.6868 5.0008 5.0008 5.0918 5.0918 9.0678 9.0678 9.5014 9.5014 9.6080 9.6080 10.6095 10.6095 k = 0.5000-0.4982-0.9723 ( 3754 PWs) bands (ev): -36.1142 -36.1142 -22.9459 -22.9459 -17.1030 -17.1030 -15.6766 -15.6766 -15.6599 -15.6599 -6.7767 -6.7767 -6.5477 -6.5477 -6.4838 -6.4838 -3.2630 -3.2630 -3.2555 -3.2555 3.5943 3.5943 3.7313 3.7313 4.1827 4.1827 4.6788 4.6788 5.0125 5.0125 5.0992 5.0992 9.0488 9.0488 9.4979 9.4979 9.5992 9.5992 10.6506 10.6506 k = 0.5000-0.4853-0.9935 ( 3752 PWs) bands (ev): -36.1142 -36.1142 -22.9459 -22.9459 -17.1031 -17.1031 -15.6765 -15.6765 -15.6600 -15.6600 -6.7766 -6.7766 -6.5478 -6.5478 -6.4839 -6.4839 -3.2619 -3.2619 -3.2560 -3.2560 3.5954 3.5954 3.7256 3.7256 4.1771 4.1771 4.6722 4.6722 5.0245 5.0245 5.1090 5.1090 9.0228 9.0228 9.4719 9.4719 9.6169 9.6169 10.6946 10.6946 k = 0.5000-0.4724-1.0147 ( 3756 PWs) bands (ev): -36.1142 -36.1142 -22.9459 -22.9459 -17.1030 -17.1030 -15.6766 -15.6766 -15.6600 -15.6600 -6.7766 -6.7766 -6.5477 -6.5477 -6.4839 -6.4839 -3.2625 -3.2625 -3.2559 -3.2559 3.5900 3.5900 3.7220 3.7220 4.1794 4.1794 4.6671 4.6671 5.0361 5.0361 5.1213 5.1213 8.9929 8.9929 9.4342 9.4342 9.6480 9.6480 10.7407 10.7407 k = 0.5000-0.4594-1.0359 ( 3758 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6766 -15.6766 -15.6598 -15.6598 -6.7766 -6.7766 -6.5475 -6.5475 -6.4837 -6.4837 -3.2648 -3.2648 -3.2552 -3.2552 3.5795 3.5795 3.7198 3.7198 4.1890 4.1890 4.6639 4.6639 5.0467 5.0467 5.1364 5.1364 8.9609 8.9609 9.3921 9.3921 9.6835 9.6835 10.7879 10.7879 k = 0.5000-0.4465-1.0571 ( 3760 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6767 -15.6767 -15.6595 -15.6595 -6.7768 -6.7768 -6.5471 -6.5471 -6.4834 -6.4834 -3.2683 -3.2683 -3.2546 -3.2546 3.5659 3.5659 3.7180 3.7180 4.2051 4.2051 4.6628 4.6628 5.0560 5.0560 5.1545 5.1545 8.9282 8.9282 9.3480 9.3480 9.7200 9.7200 10.8353 10.8353 k = 0.8143-0.3559-0.8815 ( 3760 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6767 -15.6767 -15.6595 -15.6595 -6.7768 -6.7768 -6.5471 -6.5471 -6.4834 -6.4834 -3.2683 -3.2683 -3.2546 -3.2546 3.5659 3.5659 3.7180 3.7180 4.2051 4.2051 4.6628 4.6628 5.0560 5.0560 5.1545 5.1545 8.9282 8.9282 9.3480 9.3480 9.7200 9.7200 10.8353 10.8353 k = 0.8074-0.3448-0.8599 ( 3756 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1029 -17.1029 -15.6768 -15.6768 -15.6591 -15.6591 -6.7769 -6.7769 -6.5467 -6.5467 -6.4830 -6.4830 -3.2730 -3.2730 -3.2543 -3.2543 3.5506 3.5506 3.7159 3.7159 4.2270 4.2270 4.6641 4.6641 5.0637 5.0637 5.1759 5.1759 8.8952 8.8952 9.3021 9.3021 9.7563 9.7563 10.8824 10.8824 k = 0.8004-0.3337-0.8384 ( 3760 PWs) bands (ev): -36.1143 -36.1143 -22.9461 -22.9461 -17.1027 -17.1027 -15.6769 -15.6769 -15.6587 -15.6587 -6.7771 -6.7771 -6.5461 -6.5461 -6.4825 -6.4825 -3.2786 -3.2786 -3.2544 -3.2544 3.5355 3.5355 3.7132 3.7132 4.2534 4.2534 4.6679 4.6679 5.0698 5.0698 5.2000 5.2000 8.8630 8.8630 9.2559 9.2559 9.7909 9.7909 10.9272 10.9272 k = 0.7934-0.3226-0.8168 ( 3760 PWs) bands (ev): -36.1143 -36.1143 -22.9462 -22.9462 -17.1026 -17.1026 -15.6770 -15.6770 -15.6581 -15.6581 -6.7772 -6.7772 -6.5454 -6.5454 -6.4819 -6.4819 -3.2852 -3.2852 -3.2551 -3.2551 3.5215 3.5215 3.7099 3.7099 4.2834 4.2834 4.6745 4.6745 5.0744 5.0744 5.2265 5.2265 8.8322 8.8322 9.2095 9.2095 9.8230 9.8230 10.9682 10.9682 k = 0.7864-0.3115-0.7953 ( 3762 PWs) bands (ev): -36.1143 -36.1143 -22.9463 -22.9463 -17.1023 -17.1023 -15.6770 -15.6770 -15.6575 -15.6575 -6.7773 -6.7773 -6.5446 -6.5446 -6.4812 -6.4812 -3.2927 -3.2927 -3.2563 -3.2563 3.5094 3.5094 3.7060 3.7060 4.3160 4.3160 4.6839 4.6839 5.0777 5.0777 5.2550 5.2550 8.8030 8.8030 9.1635 9.1635 9.8522 9.8522 11.0035 11.0035 k = 0.7794-0.3004-0.7738 ( 3764 PWs) bands (ev): -36.1144 -36.1144 -22.9464 -22.9464 -17.1021 -17.1021 -15.6770 -15.6770 -15.6569 -15.6569 -6.7773 -6.7773 -6.5438 -6.5438 -6.4804 -6.4804 -3.3012 -3.3012 -3.2581 -3.2581 3.4998 3.4998 3.7018 3.7018 4.3506 4.3506 4.6961 4.6961 5.0798 5.0798 5.2851 5.2851 8.7757 8.7757 9.1180 9.1180 9.8783 9.8783 10.9800 10.9800 k = 0.7724-0.2892-0.7522 ( 3762 PWs) bands (ev): -36.1144 -36.1144 -22.9465 -22.9465 -17.1018 -17.1018 -15.6769 -15.6769 -15.6563 -15.6563 -6.7771 -6.7771 -6.5430 -6.5430 -6.4796 -6.4796 -3.3107 -3.3107 -3.2604 -3.2604 3.4930 3.4930 3.6976 3.6976 4.3865 4.3865 4.7111 4.7111 5.0810 5.0810 5.3167 5.3167 8.7503 8.7503 9.0732 9.0732 9.9008 9.9008 10.9537 10.9537 k = 0.7654-0.2781-0.7307 ( 3760 PWs) bands (ev): -36.1145 -36.1145 -22.9467 -22.9467 -17.1015 -17.1015 -15.6767 -15.6767 -15.6556 -15.6556 -6.7768 -6.7768 -6.5422 -6.5422 -6.4787 -6.4787 -3.3211 -3.3211 -3.2634 -3.2634 3.4893 3.4893 3.6936 3.6936 4.4231 4.4231 4.7288 4.7288 5.0815 5.0815 5.3493 5.3493 8.7270 8.7270 9.0296 9.0296 9.9198 9.9198 10.9279 10.9279 k = 0.7585-0.2670-0.7091 ( 3760 PWs) bands (ev): -36.1145 -36.1145 -22.9469 -22.9469 -17.1011 -17.1011 -15.6764 -15.6764 -15.6549 -15.6549 -6.7764 -6.7764 -6.5414 -6.5414 -6.4777 -6.4777 -3.3323 -3.3323 -3.2669 -3.2669 3.4888 3.4888 3.6900 3.6900 4.4601 4.4601 4.7491 4.7491 5.0817 5.0817 5.3827 5.3827 8.7057 8.7057 8.9873 8.9873 9.9352 9.9352 10.9023 10.9023 k = 0.7515-0.2559-0.6876 ( 3760 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6760 -15.6760 -15.6542 -15.6542 -6.7758 -6.7758 -6.5407 -6.5407 -6.4766 -6.4766 -3.3445 -3.3445 -3.2711 -3.2711 3.4916 3.4916 3.6872 3.6872 4.4969 4.4969 4.7718 4.7718 5.0819 5.0819 5.4166 5.4166 8.6866 8.6866 8.9466 8.9466 9.9473 9.9473 10.8768 10.8768 k = 0.7445-0.2448-0.6661 ( 3766 PWs) bands (ev): -36.1147 -36.1147 -22.9473 -22.9473 -17.1003 -17.1003 -15.6755 -15.6755 -15.6535 -15.6535 -6.7750 -6.7750 -6.5400 -6.5400 -6.4754 -6.4754 -3.3575 -3.3575 -3.2759 -3.2759 3.4976 3.4976 3.6853 3.6853 4.5331 4.5331 4.7965 4.7965 5.0825 5.0825 5.4508 5.4508 8.6695 8.6695 8.9078 8.9078 9.9562 9.9562 10.8511 10.8511 k = 0.7375-0.2337-0.6445 ( 3758 PWs) bands (ev): -36.1148 -36.1148 -22.9475 -22.9475 -17.0998 -17.0998 -15.6750 -15.6750 -15.6528 -15.6528 -6.7740 -6.7740 -6.5394 -6.5394 -6.4741 -6.4741 -3.3713 -3.3713 -3.2813 -3.2813 3.5068 3.5068 3.6845 3.6845 4.5686 4.5686 4.8229 4.8229 5.0842 5.0842 5.4850 5.4850 8.6544 8.6544 8.8711 8.8711 9.9624 9.9624 10.8250 10.8250 k = 0.7305-0.2226-0.6230 ( 3760 PWs) bands (ev): -36.1148 -36.1148 -22.9477 -22.9477 -17.0993 -17.0993 -15.6743 -15.6743 -15.6521 -15.6521 -6.7729 -6.7729 -6.5389 -6.5389 -6.4727 -6.4727 -3.3858 -3.3858 -3.2873 -3.2873 3.5190 3.5190 3.6851 3.6851 4.6029 4.6029 4.8503 4.8503 5.0878 5.0878 5.5189 5.5189 8.6412 8.6412 8.8369 8.8369 9.9662 9.9662 10.7984 10.7984 k = 0.7235-0.2115-0.6015 ( 3762 PWs) bands (ev): -36.1149 -36.1149 -22.9480 -22.9480 -17.0987 -17.0987 -15.6735 -15.6735 -15.6514 -15.6514 -6.7717 -6.7717 -6.5385 -6.5385 -6.4712 -6.4712 -3.4010 -3.4010 -3.2938 -3.2938 3.5340 3.5340 3.6873 3.6873 4.6357 4.6357 4.8780 4.8780 5.0942 5.0942 5.5523 5.5523 8.6299 8.6299 8.8054 8.8054 9.9681 9.9681 10.7712 10.7712 k = 0.7166-0.2004-0.5799 ( 3764 PWs) bands (ev): -36.1150 -36.1150 -22.9483 -22.9483 -17.0981 -17.0981 -15.6727 -15.6727 -15.6506 -15.6506 -6.7703 -6.7703 -6.5381 -6.5381 -6.4696 -6.4696 -3.4168 -3.4168 -3.3010 -3.3010 3.5516 3.5516 3.6912 3.6912 4.6669 4.6669 4.9049 4.9049 5.1046 5.1046 5.5849 5.5849 8.6204 8.6204 8.7769 8.7769 9.9685 9.9685 10.7432 10.7432 k = 0.7096-0.1892-0.5584 ( 3764 PWs) bands (ev): -36.1151 -36.1151 -22.9486 -22.9486 -17.0975 -17.0975 -15.6718 -15.6718 -15.6499 -15.6499 -6.7688 -6.7688 -6.5378 -6.5378 -6.4679 -6.4679 -3.4332 -3.4332 -3.3086 -3.3086 3.5713 3.5713 3.6970 3.6970 4.6963 4.6963 4.9301 4.9301 5.1203 5.1203 5.6164 5.6164 8.6125 8.6125 8.7515 8.7515 9.9677 9.9677 10.7147 10.7147 k = 0.7026-0.1781-0.5368 ( 3772 PWs) bands (ev): -36.1153 -36.1153 -22.9489 -22.9489 -17.0969 -17.0969 -15.6709 -15.6709 -15.6491 -15.6491 -6.7673 -6.7673 -6.5375 -6.5375 -6.4660 -6.4660 -3.4500 -3.4500 -3.3168 -3.3168 3.5927 3.5927 3.7051 3.7051 4.7238 4.7238 4.9527 4.9527 5.1422 5.1422 5.6465 5.6465 8.6062 8.6062 8.7296 8.7296 9.9660 9.9660 10.6855 10.6855 k = 0.6956-0.1670-0.5153 ( 3772 PWs) bands (ev): -36.1154 -36.1154 -22.9492 -22.9492 -17.0962 -17.0962 -15.6699 -15.6699 -15.6483 -15.6483 -6.7657 -6.7657 -6.5371 -6.5371 -6.4640 -6.4640 -3.4672 -3.4672 -3.3255 -3.3255 3.6152 3.6152 3.7157 3.7157 4.7495 4.7495 4.9725 4.9725 5.1704 5.1704 5.6751 5.6751 8.6014 8.6014 8.7111 8.7111 9.9635 9.9635 10.6556 10.6556 k = 0.6886-0.1559-0.4938 ( 3774 PWs) bands (ev): -36.1155 -36.1155 -22.9495 -22.9495 -17.0955 -17.0955 -15.6689 -15.6689 -15.6475 -15.6475 -6.7642 -6.7642 -6.5368 -6.5368 -6.4619 -6.4619 -3.4848 -3.4848 -3.3346 -3.3346 3.6381 3.6381 3.7291 3.7291 4.7738 4.7738 4.9899 4.9899 5.2044 5.2044 5.7018 5.7018 8.5981 8.5981 8.6962 8.6962 9.9601 9.9601 10.6224 10.6224 k = 0.6816-0.1448-0.4722 ( 3768 PWs) bands (ev): -36.1156 -36.1156 -22.9498 -22.9498 -17.0948 -17.0948 -15.6678 -15.6678 -15.6467 -15.6467 -6.7627 -6.7627 -6.5363 -6.5363 -6.4597 -6.4597 -3.5026 -3.5026 -3.3442 -3.3442 3.6604 3.6604 3.7459 3.7459 4.7970 4.7970 5.0058 5.0058 5.2431 5.2431 5.7266 5.7266 8.5962 8.5962 8.6849 8.6849 9.9555 9.9555 10.5717 10.5717 k = 0.6746-0.1337-0.4507 ( 3774 PWs) bands (ev): -36.1157 -36.1157 -22.9502 -22.9502 -17.0940 -17.0940 -15.6668 -15.6668 -15.6458 -15.6458 -6.7614 -6.7614 -6.5358 -6.5358 -6.4574 -6.4574 -3.5205 -3.5205 -3.3541 -3.3541 3.6815 3.6815 3.7663 3.7663 4.8197 4.8197 5.0208 5.0208 5.2852 5.2852 5.7493 5.7493 8.5958 8.5958 8.6770 8.6770 9.9494 9.9494 10.5072 10.5072 k = 0.6677-0.1226-0.4291 ( 3776 PWs) bands (ev): -36.1159 -36.1159 -22.9506 -22.9506 -17.0933 -17.0933 -15.6657 -15.6657 -15.6448 -15.6448 -6.7601 -6.7601 -6.5351 -6.5351 -6.4550 -6.4550 -3.5386 -3.5386 -3.3644 -3.3644 3.7010 3.7010 3.7902 3.7902 4.8425 4.8425 5.0355 5.0355 5.3299 5.3299 5.7700 5.7700 8.5967 8.5967 8.6722 8.6722 9.9409 9.9409 10.4415 10.4415 k = 0.6607-0.1115-0.4076 ( 3772 PWs) bands (ev): -36.1160 -36.1160 -22.9509 -22.9509 -17.0925 -17.0925 -15.6648 -15.6648 -15.6438 -15.6438 -6.7591 -6.7591 -6.5342 -6.5342 -6.4525 -6.4525 -3.5566 -3.5566 -3.3749 -3.3749 3.7187 3.7187 3.8173 3.8173 4.8659 4.8659 5.0501 5.0501 5.3761 5.3761 5.7886 5.7886 8.5990 8.5990 8.6703 8.6703 9.9293 9.9293 10.3779 10.3779 k = 0.6537-0.1003-0.3861 ( 3770 PWs) bands (ev): -36.1161 -36.1161 -22.9513 -22.9513 -17.0918 -17.0918 -15.6638 -15.6638 -15.6427 -15.6427 -6.7582 -6.7582 -6.5332 -6.5332 -6.4499 -6.4499 -3.5746 -3.5746 -3.3857 -3.3857 3.7347 3.7347 3.8470 3.8470 4.8902 4.8902 5.0651 5.0651 5.4230 5.4230 5.8056 5.8056 8.6026 8.6026 8.6708 8.6708 9.9136 9.9136 10.3178 10.3178 k = 0.6467-0.0892-0.3645 ( 3772 PWs) bands (ev): -36.1162 -36.1162 -22.9516 -22.9516 -17.0910 -17.0910 -15.6629 -15.6629 -15.6415 -15.6415 -6.7577 -6.7577 -6.5320 -6.5320 -6.4471 -6.4471 -3.5923 -3.5923 -3.3966 -3.3966 3.7492 3.7492 3.8787 3.8787 4.9154 4.9154 5.0809 5.0809 5.4696 5.4696 5.8212 5.8212 8.6074 8.6074 8.6733 8.6733 9.8928 9.8928 10.2628 10.2628 k = 0.6397-0.0781-0.3430 ( 3770 PWs) bands (ev): -36.1163 -36.1163 -22.9520 -22.9520 -17.0902 -17.0902 -15.6621 -15.6621 -15.6403 -15.6403 -6.7573 -6.7573 -6.5306 -6.5306 -6.4443 -6.4443 -3.6098 -3.6098 -3.4076 -3.4076 3.7620 3.7620 3.9122 3.9122 4.9408 4.9408 5.0984 5.0984 5.5148 5.5148 5.8364 5.8364 8.6132 8.6132 8.6771 8.6771 9.8660 9.8660 10.2140 10.2140 k = 0.6327-0.0670-0.3214 ( 3768 PWs) bands (ev): -36.1165 -36.1165 -22.9523 -22.9523 -17.0895 -17.0895 -15.6614 -15.6614 -15.6390 -15.6390 -6.7573 -6.7573 -6.5290 -6.5290 -6.4413 -6.4413 -3.6270 -3.6270 -3.4187 -3.4187 3.7731 3.7731 3.9475 3.9475 4.9654 4.9654 5.1186 5.1186 5.5573 5.5573 5.8524 5.8524 8.6198 8.6198 8.6817 8.6817 9.8327 9.8327 10.1727 10.1727 k = 0.6257-0.0559-0.2999 ( 3766 PWs) bands (ev): -36.1166 -36.1166 -22.9527 -22.9527 -17.0887 -17.0887 -15.6607 -15.6607 -15.6377 -15.6377 -6.7575 -6.7575 -6.5273 -6.5273 -6.4383 -6.4383 -3.6438 -3.6438 -3.4298 -3.4298 3.7823 3.7823 3.9844 3.9844 4.9875 4.9875 5.1429 5.1429 5.5956 5.5956 5.8706 5.8706 8.6270 8.6270 8.6865 8.6865 9.7926 9.7926 10.1399 10.1399 k = 0.6188-0.0448-0.2784 ( 3768 PWs) bands (ev): -36.1167 -36.1167 -22.9530 -22.9530 -17.0880 -17.0880 -15.6601 -15.6601 -15.6363 -15.6363 -6.7579 -6.7579 -6.5254 -6.5254 -6.4351 -6.4351 -3.6602 -3.6602 -3.4408 -3.4408 3.7896 3.7896 4.0230 4.0230 5.0058 5.0058 5.1720 5.1720 5.6281 5.6281 5.8927 5.8927 8.6344 8.6344 8.6909 8.6909 9.7458 9.7458 10.1167 10.1167 k = 0.6118-0.0337-0.2568 ( 3760 PWs) bands (ev): -36.1168 -36.1168 -22.9533 -22.9533 -17.0873 -17.0873 -15.6596 -15.6596 -15.6348 -15.6348 -6.7586 -6.7586 -6.5234 -6.5234 -6.4319 -6.4319 -3.6759 -3.6759 -3.4517 -3.4517 3.7950 3.7950 4.0634 4.0634 5.0198 5.0198 5.2054 5.2054 5.6539 5.6539 5.9202 5.9202 8.6418 8.6418 8.6947 8.6947 9.6926 9.6926 10.1035 10.1035 k = 0.6048-0.0226-0.2353 ( 3770 PWs) bands (ev): -36.1170 -36.1170 -22.9537 -22.9537 -17.0866 -17.0866 -15.6591 -15.6591 -15.6334 -15.6334 -6.7596 -6.7596 -6.5214 -6.5214 -6.4287 -6.4287 -3.6911 -3.6911 -3.4623 -3.4623 3.7986 3.7986 4.1055 4.1055 5.0297 5.0297 5.2414 5.2414 5.6738 5.6738 5.9533 5.9533 8.6489 8.6489 8.6977 8.6977 9.6336 9.6336 10.1009 10.1009 k = 0.5978-0.0115-0.2137 ( 3768 PWs) bands (ev): -36.1171 -36.1171 -22.9540 -22.9540 -17.0859 -17.0859 -15.6587 -15.6587 -15.6320 -15.6320 -6.7607 -6.7607 -6.5193 -6.5193 -6.4253 -6.4253 -3.7056 -3.7056 -3.4727 -3.4727 3.8006 3.8006 4.1494 4.1494 5.0362 5.0362 5.2775 5.2775 5.6896 5.6896 5.9913 5.9913 8.6553 8.6553 8.6999 8.6999 9.5695 9.5695 10.1086 10.1086 k = 0.5908-0.0003-0.1922 ( 3770 PWs) bands (ev): -36.1172 -36.1172 -22.9543 -22.9543 -17.0853 -17.0853 -15.6584 -15.6584 -15.6305 -15.6305 -6.7619 -6.7619 -6.5173 -6.5173 -6.4220 -6.4220 -3.7194 -3.7194 -3.4827 -3.4827 3.8011 3.8011 4.1949 4.1949 5.0400 5.0400 5.3105 5.3105 5.7044 5.7044 6.0329 6.0329 8.6606 8.6606 8.7018 8.7018 9.5011 9.5011 10.1261 10.1261 k = 0.5838 0.0108-0.1707 ( 3766 PWs) bands (ev): -36.1173 -36.1173 -22.9546 -22.9546 -17.0847 -17.0847 -15.6581 -15.6581 -15.6291 -15.6291 -6.7633 -6.7633 -6.5153 -6.5153 -6.4186 -6.4186 -3.7323 -3.7323 -3.4923 -3.4923 3.8004 3.8004 4.2420 4.2420 5.0414 5.0414 5.3370 5.3370 5.7216 5.7216 6.0768 6.0768 8.6646 8.6646 8.7039 8.7039 9.4294 9.4294 10.1523 10.1523 k = 0.5768 0.0219-0.1491 ( 3766 PWs) bands (ev): -36.1174 -36.1174 -22.9548 -22.9548 -17.0841 -17.0841 -15.6579 -15.6579 -15.6278 -15.6278 -6.7647 -6.7647 -6.5134 -6.5134 -6.4153 -6.4153 -3.7445 -3.7445 -3.5015 -3.5015 3.7987 3.7987 4.2904 4.2904 5.0408 5.0408 5.3545 5.3545 5.7436 5.7436 6.1221 6.1221 8.6671 8.6671 8.7065 8.7065 9.3553 9.3553 10.1857 10.1857 k = 0.5699 0.0330-0.1276 ( 3770 PWs) bands (ev): -36.1175 -36.1175 -22.9551 -22.9551 -17.0836 -17.0836 -15.6577 -15.6577 -15.6265 -15.6265 -6.7662 -6.7662 -6.5116 -6.5116 -6.4121 -6.4121 -3.7557 -3.7557 -3.5100 -3.5100 3.7964 3.7964 4.3401 4.3401 5.0385 5.0385 5.3617 5.3617 5.7713 5.7713 6.1679 6.1679 8.6686 8.6686 8.7096 8.7096 9.2801 9.2801 10.2241 10.2241 k = 0.5629 0.0441-0.1060 ( 3772 PWs) bands (ev): -36.1175 -36.1175 -22.9553 -22.9553 -17.0831 -17.0831 -15.6575 -15.6575 -15.6253 -15.6253 -6.7677 -6.7677 -6.5099 -6.5099 -6.4090 -6.4090 -3.7660 -3.7660 -3.5180 -3.5180 3.7935 3.7935 4.3908 4.3908 5.0344 5.0344 5.3591 5.3591 5.8039 5.8039 6.2138 6.2138 8.6697 8.6697 8.7129 8.7129 9.2051 9.2051 10.2648 10.2648 k = 0.5559 0.0552-0.0845 ( 3768 PWs) bands (ev): -36.1176 -36.1176 -22.9555 -22.9555 -17.0826 -17.0826 -15.6574 -15.6574 -15.6242 -15.6242 -6.7691 -6.7691 -6.5083 -6.5083 -6.4061 -6.4061 -3.7753 -3.7753 -3.5253 -3.5253 3.7904 3.7904 4.4422 4.4422 5.0283 5.0283 5.3485 5.3485 5.8391 5.8391 6.2593 6.2593 8.6710 8.6710 8.7159 8.7159 9.1318 9.1318 10.3041 10.3041 k = 0.5489 0.0663-0.0630 ( 3774 PWs) bands (ev): -36.1177 -36.1177 -22.9557 -22.9557 -17.0822 -17.0822 -15.6573 -15.6573 -15.6232 -15.6232 -6.7704 -6.7704 -6.5070 -6.5070 -6.4034 -6.4034 -3.7836 -3.7836 -3.5319 -3.5319 3.7872 3.7872 4.4941 4.4941 5.0202 5.0202 5.3323 5.3323 5.8746 5.8746 6.3036 6.3036 8.6728 8.6728 8.7181 8.7181 9.0618 9.0618 10.3378 10.3378 k = 0.5419 0.0774-0.0414 ( 3778 PWs) bands (ev): -36.1178 -36.1178 -22.9559 -22.9559 -17.0819 -17.0819 -15.6572 -15.6572 -15.6223 -15.6223 -6.7717 -6.7717 -6.5057 -6.5057 -6.4010 -6.4010 -3.7909 -3.7909 -3.5377 -3.5377 3.7841 3.7841 4.5460 4.5460 5.0095 5.0095 5.3128 5.3128 5.9082 5.9082 6.3462 6.3462 8.6753 8.6753 8.7190 8.7190 8.9972 8.9972 10.3614 10.3614 k = 0.5349 0.0886-0.0199 ( 3778 PWs) bands (ev): -36.1178 -36.1178 -22.9561 -22.9561 -17.0816 -17.0816 -15.6571 -15.6571 -15.6215 -15.6215 -6.7727 -6.7727 -6.5047 -6.5047 -6.3988 -6.3988 -3.7971 -3.7971 -3.5427 -3.5427 3.7812 3.7812 4.5974 4.5974 4.9956 4.9956 5.2920 5.2920 5.9383 5.9383 6.3858 6.3858 8.6783 8.6783 8.7180 8.7180 8.9402 8.9402 10.3723 10.3723 k = 0.5279 0.0997 0.0017 ( 3780 PWs) bands (ev): -36.1179 -36.1179 -22.9562 -22.9562 -17.0813 -17.0813 -15.6571 -15.6571 -15.6209 -15.6209 -6.7737 -6.7737 -6.5039 -6.5039 -6.3970 -6.3970 -3.8022 -3.8022 -3.5468 -3.5468 3.7787 3.7787 4.6478 4.6478 4.9780 4.9780 5.2721 5.2721 5.9638 5.9638 6.4212 6.4212 8.6815 8.6815 8.7145 8.7145 8.8930 8.8930 10.3717 10.3717 k = 0.5210 0.1108 0.0232 ( 3784 PWs) bands (ev): -36.1179 -36.1179 -22.9563 -22.9563 -17.0811 -17.0811 -15.6570 -15.6570 -15.6204 -15.6204 -6.7744 -6.7744 -6.5032 -6.5032 -6.3956 -6.3956 -3.8062 -3.8062 -3.5501 -3.5501 3.7767 3.7767 4.6962 4.6962 4.9564 4.9564 5.2548 5.2548 5.9840 5.9840 6.4509 6.4509 8.6844 8.6844 8.7082 8.7082 8.8578 8.8578 10.3643 10.3643 k = 0.5140 0.1219 0.0447 ( 3788 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6570 -15.6570 -15.6200 -15.6200 -6.7749 -6.7749 -6.5027 -6.5027 -6.3945 -6.3945 -3.8091 -3.8091 -3.5524 -3.5524 3.7752 3.7752 4.7410 4.7410 4.9313 4.9313 5.2416 5.2416 5.9986 5.9986 6.4734 6.4734 8.6862 8.6862 8.7008 8.7008 8.8350 8.8350 10.3550 10.3550 k = 0.5070 0.1330 0.0663 ( 3790 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6198 -15.6198 -6.7753 -6.7753 -6.5025 -6.5025 -6.3939 -6.3939 -3.8108 -3.8108 -3.5538 -3.5538 3.7743 3.7743 4.7781 4.7781 4.9063 4.9063 5.2334 5.2334 6.0074 6.0074 6.4876 6.4876 8.6858 8.6858 8.6959 8.6959 8.8228 8.8228 10.3479 10.3479 k = 0.5000 0.1441 0.0878 ( 3790 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7754 -6.7754 -6.5024 -6.5024 -6.3937 -6.3937 -3.8114 -3.8114 -3.5543 -3.5543 3.7739 3.7739 4.7951 4.7951 4.8934 4.8934 5.2306 5.2306 6.0104 6.0104 6.4924 6.4924 8.6847 8.6847 8.6948 8.6948 8.8191 8.8191 10.3453 10.3453 k = 0.5000 0.1441 0.0878 ( 3790 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7754 -6.7754 -6.5024 -6.5024 -6.3937 -6.3937 -3.8114 -3.8114 -3.5543 -3.5543 3.7739 3.7739 4.7951 4.7951 4.8934 4.8934 5.2306 5.2306 6.0104 6.0104 6.4924 6.4924 8.6847 8.6847 8.6948 8.6948 8.8191 8.8191 10.3453 10.3453 k = 0.4762 0.1372 0.0836 ( 3791 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7753 -6.7753 -6.5023 -6.5023 -6.3937 -6.3937 -3.8160 -3.8160 -3.5495 -3.5495 3.7654 3.7654 4.8037 4.8037 4.8941 4.8941 5.2297 5.2297 6.0131 6.0131 6.4944 6.4944 8.6844 8.6844 8.6944 8.6944 8.8192 8.8192 10.3462 10.3462 k = 0.4524 0.1304 0.0794 ( 3794 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7751 -6.7751 -6.5022 -6.5022 -6.3937 -6.3937 -3.8287 -3.8287 -3.5360 -3.5360 3.7408 3.7408 4.8258 4.8258 4.8987 4.8987 5.2270 5.2270 6.0214 6.0214 6.5003 6.5003 8.6835 8.6835 8.6933 8.6933 8.8196 8.8196 10.3488 10.3488 k = 0.4286 0.1235 0.0753 ( 3794 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7747 -6.7747 -6.5020 -6.5020 -6.3937 -6.3937 -3.8475 -3.8475 -3.5162 -3.5162 3.7031 3.7031 4.8470 4.8470 4.9190 4.9190 5.2225 5.2225 6.0351 6.0351 6.5100 6.5100 8.6819 8.6819 8.6915 8.6915 8.8202 8.8202 10.3532 10.3532 k = 0.4048 0.1167 0.0711 ( 3788 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7741 -6.7741 -6.5018 -6.5018 -6.3937 -6.3937 -3.8701 -3.8701 -3.4921 -3.4921 3.6556 3.6556 4.8526 4.8526 4.9659 4.9659 5.2166 5.2166 6.0540 6.0540 6.5232 6.5232 8.6798 8.6798 8.6890 8.6890 8.8210 8.8210 10.3592 10.3592 k = 0.3810 0.1098 0.0669 ( 3785 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7734 -6.7734 -6.5015 -6.5015 -6.3937 -6.3937 -3.8947 -3.8947 -3.4655 -3.4655 3.6017 3.6017 4.8490 4.8490 5.0300 5.0300 5.2092 5.2092 6.0780 6.0780 6.5396 6.5396 8.6771 8.6771 8.6859 8.6859 8.8218 8.8218 10.3666 10.3666 k = 0.3571 0.1029 0.0627 ( 3776 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7726 -6.7726 -6.5011 -6.5011 -6.3936 -6.3936 -3.9203 -3.9203 -3.4377 -3.4377 3.5441 3.5441 4.8416 4.8416 5.1027 5.1027 5.2008 5.2008 6.1070 6.1070 6.5589 6.5589 8.6739 8.6739 8.6822 8.6822 8.8226 8.8226 10.3754 10.3754 k = 0.3333 0.0961 0.0585 ( 3782 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7717 -6.7717 -6.5007 -6.5007 -6.3936 -6.3936 -3.9461 -3.9461 -3.4094 -3.4094 3.4849 3.4849 4.8324 4.8324 5.1798 5.1798 5.1915 5.1915 6.1406 6.1406 6.5805 6.5805 8.6702 8.6702 8.6780 8.6780 8.8232 8.8232 10.3853 10.3853 k = 0.3095 0.0892 0.0544 ( 3779 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7707 -6.7707 -6.5003 -6.5003 -6.3936 -6.3936 -3.9714 -3.9714 -3.3813 -3.3813 3.4257 3.4257 4.8221 4.8221 5.1817 5.1817 5.2586 5.2586 6.1789 6.1789 6.6041 6.6041 8.6662 8.6662 8.6735 8.6735 8.8233 8.8233 10.3960 10.3960 k = 0.2857 0.0823 0.0502 ( 3797 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7696 -6.7696 -6.4998 -6.4998 -6.3937 -6.3937 -3.9960 -3.9960 -3.3537 -3.3537 3.3678 3.3678 4.8112 4.8112 5.1714 5.1714 5.3370 5.3370 6.2214 6.2214 6.6291 6.6291 8.6619 8.6619 8.6686 8.6686 8.8229 8.8229 10.4070 10.4070 k = 0.2619 0.0755 0.0460 ( 3806 PWs) bands (ev): -36.1180 -36.1180 -22.9565 -22.9565 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7686 -6.7686 -6.4993 -6.4993 -6.3936 -6.3936 -4.0194 -4.0194 -3.3272 -3.3272 3.3120 3.3120 4.8002 4.8002 5.1611 5.1611 5.4132 5.4132 6.2680 6.2680 6.6549 6.6549 8.6573 8.6573 8.6636 8.6636 8.8216 8.8216 10.4177 10.4177 k = 0.2381 0.0686 0.0418 ( 3791 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7674 -6.7674 -6.4987 -6.4987 -6.3936 -6.3936 -4.0415 -4.0415 -3.3020 -3.3020 3.2593 3.2593 4.7893 4.7893 5.1510 5.1510 5.4856 5.4856 6.3183 6.3183 6.6810 6.6810 8.6527 8.6527 8.6585 8.6585 8.8192 8.8192 10.4267 10.4267 k = 0.2143 0.0618 0.0376 ( 3791 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7663 -6.7663 -6.4982 -6.4982 -6.3936 -6.3936 -4.0620 -4.0620 -3.2784 -3.2784 3.2101 3.2101 4.7788 4.7788 5.1412 5.1412 5.5530 5.5530 6.3714 6.3714 6.7070 6.7070 8.6480 8.6480 8.6535 8.6535 8.8156 8.8156 10.4185 10.4185 k = 0.1905 0.0549 0.0335 ( 3794 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7653 -6.7653 -6.4977 -6.4977 -6.3936 -6.3936 -4.0808 -4.0808 -3.2566 -3.2566 3.1649 3.1649 4.7689 4.7689 5.1319 5.1319 5.6144 5.6144 6.4266 6.4266 6.7321 6.7321 8.6435 8.6435 8.6485 8.6485 8.8107 8.8107 10.3762 10.3762 k = 0.1667 0.0480 0.0293 ( 3800 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7643 -6.7643 -6.4972 -6.4972 -6.3936 -6.3936 -4.0977 -4.0977 -3.2368 -3.2368 3.1242 3.1242 4.7598 4.7598 5.1234 5.1234 5.6692 5.6692 6.4824 6.4824 6.7559 6.7559 8.6391 8.6391 8.6439 8.6439 8.8043 8.8043 10.3349 10.3349 k = 0.1429 0.0412 0.0251 ( 3794 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7634 -6.7634 -6.4968 -6.4968 -6.3936 -6.3936 -4.1125 -4.1125 -3.2193 -3.2193 3.0883 3.0883 4.7516 4.7516 5.1157 5.1157 5.7168 5.7168 6.5372 6.5372 6.7778 6.7778 8.6349 8.6349 8.6396 8.6396 8.7967 8.7967 10.2970 10.2970 k = 0.1190 0.0343 0.0209 ( 3800 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7626 -6.7626 -6.4964 -6.4964 -6.3936 -6.3936 -4.1253 -4.1253 -3.2042 -3.2042 3.0575 3.0575 4.7445 4.7445 5.1090 5.1090 5.7570 5.7570 6.5891 6.5891 6.7973 6.7973 8.6312 8.6312 8.6357 8.6357 8.7882 8.7882 10.2623 10.2623 k = 0.0952 0.0274 0.0167 ( 3800 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7619 -6.7619 -6.4960 -6.4960 -6.3936 -6.3936 -4.1359 -4.1359 -3.1916 -3.1916 3.0319 3.0319 4.7385 4.7385 5.1034 5.1034 5.7899 5.7899 6.6359 6.6359 6.8140 6.8140 8.6279 8.6279 8.6324 8.6324 8.7794 8.7794 10.2277 10.2277 k = 0.0714 0.0206 0.0125 ( 3803 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7614 -6.7614 -6.4957 -6.4957 -6.3936 -6.3936 -4.1442 -4.1442 -3.1817 -3.1817 3.0119 3.0119 4.7338 4.7338 5.0989 5.0989 5.8153 5.8153 6.6752 6.6752 6.8274 6.8274 8.6252 8.6252 8.6298 8.6298 8.7711 8.7711 10.1897 10.1897 k = 0.0476 0.0137 0.0084 ( 3797 PWs) bands (ev): -36.1180 -36.1180 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7610 -6.7610 -6.4955 -6.4955 -6.3936 -6.3936 -4.1501 -4.1501 -3.1746 -3.1746 2.9975 2.9975 4.7304 4.7304 5.0957 5.0957 5.8334 5.8334 6.7051 6.7051 6.8373 6.8373 8.6232 8.6232 8.6278 8.6278 8.7643 8.7643 10.1570 10.1570 k = 0.0238 0.0069 0.0042 ( 3782 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7607 -6.7607 -6.4954 -6.4954 -6.3936 -6.3936 -4.1537 -4.1537 -3.1703 -3.1703 2.9888 2.9888 4.7283 4.7283 5.0938 5.0938 5.8443 5.8443 6.7238 6.7238 6.8433 6.8433 8.6219 8.6219 8.6266 8.6266 8.7597 8.7597 10.1361 10.1361 k = 0.0000 0.0000 0.0000 ( 3785 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7606 -6.7606 -6.4954 -6.4954 -6.3936 -6.3936 -4.1549 -4.1549 -3.1688 -3.1688 2.9859 2.9859 4.7276 4.7276 5.0931 5.0931 5.8479 5.8479 6.7302 6.7302 6.8453 6.8453 8.6215 8.6215 8.6262 8.6262 8.7582 8.7582 10.1290 10.1290 k = 0.0000 0.0000 0.0000 ( 3785 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6571 -15.6571 -15.6197 -15.6197 -6.7606 -6.7606 -6.4954 -6.4954 -6.3936 -6.3936 -4.1549 -4.1549 -3.1688 -3.1688 2.9859 2.9859 4.7276 4.7276 5.0931 5.0931 5.8479 5.8479 6.7302 6.7302 6.8453 6.8453 8.6215 8.6215 8.6262 8.6262 8.7582 8.7582 10.1290 10.1290 k = 0.0069-0.0109-0.0211 ( 3795 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6571 -15.6571 -15.6198 -15.6198 -6.7606 -6.7606 -6.4955 -6.4955 -6.3938 -6.3938 -4.1538 -4.1538 -3.1691 -3.1691 2.9874 2.9874 4.7269 4.7269 5.0920 5.0920 5.8450 5.8450 6.7264 6.7264 6.8378 6.8378 8.6238 8.6238 8.6286 8.6286 8.7605 8.7605 10.1357 10.1357 k = 0.0137-0.0218-0.0423 ( 3799 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6571 -15.6571 -15.6200 -15.6200 -6.7604 -6.7604 -6.4958 -6.4958 -6.3945 -6.3945 -4.1505 -4.1505 -3.1698 -3.1698 2.9919 2.9919 4.7246 4.7246 5.0888 5.0888 5.8363 5.8363 6.7144 6.7144 6.8166 6.8166 8.6282 8.6282 8.6372 8.6372 8.7680 8.7680 10.1543 10.1543 k = 0.0206-0.0327-0.0634 ( 3799 PWs) bands (ev): -36.1179 -36.1179 -22.9563 -22.9563 -17.0812 -17.0812 -15.6571 -15.6571 -15.6204 -15.6204 -6.7601 -6.7601 -6.4963 -6.4963 -6.3955 -6.3955 -4.1450 -4.1450 -3.1709 -3.1709 2.9993 2.9993 4.7207 4.7207 5.0836 5.0836 5.8215 5.8215 6.6925 6.6925 6.7851 6.7851 8.6340 8.6340 8.6503 8.6503 8.7817 8.7817 10.1682 10.1682 k = 0.0274-0.0436-0.0846 ( 3791 PWs) bands (ev): -36.1179 -36.1179 -22.9562 -22.9562 -17.0814 -17.0814 -15.6571 -15.6571 -15.6208 -15.6208 -6.7597 -6.7597 -6.4970 -6.4970 -6.3970 -6.3970 -4.1373 -4.1373 -3.1725 -3.1725 3.0097 3.0097 4.7151 4.7151 5.0769 5.0769 5.8002 5.8002 6.6576 6.6576 6.7493 6.7493 8.6417 8.6417 8.6644 8.6644 8.8029 8.8029 10.1595 10.1595 k = 0.0343-0.0545-0.1057 ( 3799 PWs) bands (ev): -36.1178 -36.1178 -22.9561 -22.9561 -17.0816 -17.0816 -15.6572 -15.6572 -15.6215 -15.6215 -6.7591 -6.7591 -6.4979 -6.4979 -6.3988 -6.3988 -4.1276 -4.1276 -3.1746 -3.1746 3.0230 3.0230 4.7076 4.7076 5.0690 5.0690 5.7721 5.7721 6.6079 6.6079 6.7141 6.7141 8.6510 8.6510 8.6773 8.6773 8.8317 8.8317 10.1493 10.1493 k = 0.0411-0.0654-0.1269 ( 3805 PWs) bands (ev): -36.1178 -36.1178 -22.9560 -22.9560 -17.0819 -17.0819 -15.6573 -15.6573 -15.6222 -15.6222 -6.7586 -6.7586 -6.4990 -6.4990 -6.4010 -6.4010 -4.1157 -4.1157 -3.1771 -3.1771 3.0392 3.0392 4.6979 4.6979 5.0604 5.0604 5.7367 5.7367 6.5461 6.5461 6.6798 6.6798 8.6616 8.6616 8.6887 8.6887 8.8673 8.8673 10.1425 10.1425 k = 0.0480-0.0763-0.1480 ( 3807 PWs) bands (ev): -36.1177 -36.1177 -22.9558 -22.9558 -17.0822 -17.0822 -15.6573 -15.6573 -15.6231 -15.6231 -6.7579 -6.7579 -6.5002 -6.5002 -6.4034 -6.4034 -4.1018 -4.1018 -3.1799 -3.1799 3.0582 3.0582 4.6859 4.6859 5.0515 5.0515 5.6936 5.6936 6.4769 6.4769 6.6450 6.6450 8.6728 8.6728 8.6994 8.6994 8.9078 8.9078 10.1411 10.1411 k = 0.0549-0.0873-0.1691 ( 3803 PWs) bands (ev): -36.1177 -36.1177 -22.9556 -22.9556 -17.0826 -17.0826 -15.6575 -15.6575 -15.6240 -15.6240 -6.7572 -6.7572 -6.5017 -6.5017 -6.4061 -6.4061 -4.0860 -4.0860 -3.1832 -3.1832 3.0799 3.0799 4.6715 4.6715 5.0426 5.0426 5.6426 5.6426 6.4040 6.4040 6.6084 6.6084 8.6834 8.6834 8.7112 8.7112 8.9517 8.9517 10.1459 10.1459 k = 0.0617-0.0982-0.1903 ( 3803 PWs) bands (ev): -36.1176 -36.1176 -22.9554 -22.9554 -17.0830 -17.0830 -15.6576 -15.6576 -15.6251 -15.6251 -6.7564 -6.7564 -6.5034 -6.5034 -6.4090 -6.4090 -4.0683 -4.0683 -3.1868 -3.1868 3.1042 3.1042 4.6546 4.6546 5.0340 5.0340 5.5838 5.5838 6.3300 6.3300 6.5697 6.5697 8.6923 8.6923 8.7253 8.7253 8.9979 8.9979 10.1572 10.1572 k = 0.0686-0.1091-0.2114 ( 3801 PWs) bands (ev): -36.1175 -36.1175 -22.9552 -22.9552 -17.0835 -17.0835 -15.6577 -15.6577 -15.6263 -15.6263 -6.7557 -6.7557 -6.5052 -6.5052 -6.4121 -6.4121 -4.0488 -4.0488 -3.1908 -3.1908 3.1311 3.1311 4.6354 4.6354 5.0257 5.0257 5.5177 5.5177 6.2564 6.2564 6.5289 6.5289 8.6996 8.6996 8.7421 8.7421 9.0459 9.0459 10.1749 10.1749 k = 0.0754-0.1200-0.2326 ( 3797 PWs) bands (ev): -36.1174 -36.1174 -22.9550 -22.9550 -17.0840 -17.0840 -15.6579 -15.6579 -15.6275 -15.6275 -6.7550 -6.7550 -6.5071 -6.5071 -6.4153 -6.4153 -4.0277 -4.0277 -3.1951 -3.1951 3.1604 3.1604 4.6140 4.6140 5.0175 5.0175 5.4453 5.4453 6.1842 6.1842 6.4860 6.4860 8.7056 8.7056 8.7610 8.7610 9.0951 9.0951 10.1976 10.1976 k = 0.0823-0.1309-0.2537 ( 3795 PWs) bands (ev): -36.1173 -36.1173 -22.9547 -22.9547 -17.0846 -17.0846 -15.6581 -15.6581 -15.6288 -15.6288 -6.7543 -6.7543 -6.5092 -6.5092 -6.4185 -6.4185 -4.0049 -4.0049 -3.1997 -3.1997 3.1920 3.1920 4.5906 4.5906 5.0087 5.0087 5.3681 5.3681 6.1137 6.1137 6.4413 6.4413 8.7110 8.7110 8.7816 8.7816 9.1455 9.1455 10.2186 10.2186 k = 0.0891-0.1418-0.2748 ( 3791 PWs) bands (ev): -36.1172 -36.1172 -22.9544 -22.9544 -17.0851 -17.0851 -15.6584 -15.6584 -15.6302 -15.6302 -6.7537 -6.7537 -6.5114 -6.5114 -6.4218 -6.4218 -3.9806 -3.9806 -3.2045 -3.2045 3.2258 3.2258 4.5655 4.5655 4.9982 4.9982 5.2884 5.2884 6.0449 6.0449 6.3950 6.3950 8.7160 8.7160 8.8034 8.8034 9.1971 9.1971 10.2231 10.2231 k = 0.0960-0.1527-0.2960 ( 3791 PWs) bands (ev): -36.1171 -36.1171 -22.9541 -22.9541 -17.0858 -17.0858 -15.6587 -15.6587 -15.6316 -15.6316 -6.7533 -6.7533 -6.5137 -6.5137 -6.4250 -6.4250 -3.9550 -3.9550 -3.2095 -3.2095 3.2616 3.2616 4.5389 4.5389 4.9834 4.9834 5.2099 5.2099 5.9779 5.9779 6.3473 6.3473 8.7208 8.7208 8.8262 8.8262 9.2497 9.2497 10.2196 10.2196 k = 0.1028-0.1636-0.3171 ( 3789 PWs) bands (ev): -36.1170 -36.1170 -22.9538 -22.9538 -17.0864 -17.0864 -15.6591 -15.6591 -15.6330 -15.6330 -6.7529 -6.7529 -6.5160 -6.5160 -6.4282 -6.4282 -3.9281 -3.9281 -3.2147 -3.2147 3.2991 3.2991 4.5111 4.5111 4.9587 4.9587 5.1395 5.1395 5.9123 5.9123 6.2984 6.2984 8.7257 8.7257 8.8499 8.8499 9.3034 9.3034 10.2136 10.2136 k = 0.1097-0.1745-0.3383 ( 3793 PWs) bands (ev): -36.1169 -36.1169 -22.9535 -22.9535 -17.0871 -17.0871 -15.6595 -15.6595 -15.6344 -15.6344 -6.7527 -6.7527 -6.5183 -6.5183 -6.4314 -6.4314 -3.9001 -3.9001 -3.2201 -3.2201 3.3383 3.3383 4.4822 4.4822 4.9156 4.9156 5.0867 5.0867 5.8480 5.8480 6.2485 6.2485 8.7306 8.7306 8.8743 8.8743 9.3580 9.3580 10.2060 10.2060 k = 0.1166-0.1854-0.3594 ( 3793 PWs) bands (ev): -36.1168 -36.1168 -22.9532 -22.9532 -17.0878 -17.0878 -15.6600 -15.6600 -15.6358 -15.6358 -6.7528 -6.7528 -6.5206 -6.5206 -6.4345 -6.4345 -3.8711 -3.8711 -3.2255 -3.2255 3.3788 3.3788 4.4520 4.4520 4.8523 4.8523 5.0545 5.0545 5.7848 5.7848 6.1977 6.1977 8.7357 8.7357 8.8993 8.8993 9.4137 9.4137 10.1971 10.1971 k = 0.1234-0.1963-0.3806 ( 3781 PWs) bands (ev): -36.1167 -36.1167 -22.9528 -22.9528 -17.0885 -17.0885 -15.6605 -15.6605 -15.6372 -15.6372 -6.7529 -6.7529 -6.5228 -6.5228 -6.4375 -6.4375 -3.8412 -3.8412 -3.2310 -3.2310 3.4204 3.4204 4.4202 4.4202 4.7783 4.7783 5.0349 5.0349 5.7227 5.7227 6.1463 6.1463 8.7412 8.7412 8.9248 8.9248 9.4701 9.4701 10.1871 10.1871 k = 0.1303-0.2072-0.4017 ( 3783 PWs) bands (ev): -36.1165 -36.1165 -22.9525 -22.9525 -17.0892 -17.0892 -15.6611 -15.6611 -15.6385 -15.6385 -6.7534 -6.7534 -6.5248 -6.5248 -6.4404 -6.4404 -3.8107 -3.8107 -3.2365 -3.2365 3.4626 3.4626 4.3861 4.3861 4.7026 4.7026 5.0206 5.0206 5.6616 5.6616 6.0943 6.0943 8.7472 8.7472 8.9507 8.9507 9.5272 9.5272 10.1762 10.1762 k = 0.1371-0.2181-0.4228 ( 3773 PWs) bands (ev): -36.1164 -36.1164 -22.9521 -22.9521 -17.0900 -17.0900 -15.6618 -15.6618 -15.6398 -15.6398 -6.7540 -6.7540 -6.5268 -6.5268 -6.4432 -6.4432 -3.7795 -3.7795 -3.2420 -3.2420 3.5050 3.5050 4.3485 4.3485 4.6307 4.6307 5.0079 5.0079 5.6017 5.6017 6.0420 6.0420 8.7538 8.7538 8.9769 8.9769 9.5847 9.5847 10.1646 10.1646 k = 0.1440-0.2290-0.4440 ( 3757 PWs) bands (ev): -36.1162 -36.1162 -22.9517 -22.9517 -17.0907 -17.0907 -15.6626 -15.6626 -15.6411 -15.6411 -6.7548 -6.7548 -6.5286 -6.5286 -6.4459 -6.4459 -3.7480 -3.7480 -3.2475 -3.2475 3.5471 3.5471 4.3058 4.3058 4.5669 4.5669 4.9952 4.9952 5.5430 5.5430 5.9895 5.9895 8.7612 8.7612 9.0033 9.0033 9.6421 9.6421 10.1528 10.1528 k = 0.1508-0.2399-0.4651 ( 3763 PWs) bands (ev): -36.1161 -36.1161 -22.9514 -22.9514 -17.0915 -17.0915 -15.6635 -15.6635 -15.6422 -15.6422 -6.7559 -6.7559 -6.5302 -6.5302 -6.4486 -6.4486 -3.7161 -3.7161 -3.2528 -3.2528 3.5881 3.5881 4.2572 4.2572 4.5140 4.5140 4.9815 4.9815 5.4856 5.4856 5.9369 5.9369 8.7697 8.7697 9.0298 9.0298 9.6990 9.6990 10.1411 10.1411 k = 0.1577-0.2509-0.4863 ( 3759 PWs) bands (ev): -36.1160 -36.1160 -22.9510 -22.9510 -17.0922 -17.0922 -15.6644 -15.6644 -15.6433 -15.6433 -6.7571 -6.7571 -6.5316 -6.5316 -6.4511 -6.4511 -3.6842 -3.6842 -3.2580 -3.2580 3.6270 3.6270 4.2035 4.2035 4.4728 4.4728 4.9664 4.9664 5.4296 5.4296 5.8844 5.8844 8.7792 8.7792 9.0564 9.0564 9.7545 9.7545 10.1301 10.1301 k = 0.1646-0.2618-0.5074 ( 3759 PWs) bands (ev): -36.1159 -36.1159 -22.9507 -22.9507 -17.0929 -17.0929 -15.6653 -15.6653 -15.6444 -15.6444 -6.7585 -6.7585 -6.5328 -6.5328 -6.4535 -6.4535 -3.6523 -3.6523 -3.2629 -3.2629 3.6622 3.6622 4.1477 4.1477 4.4423 4.4423 4.9493 4.9493 5.3752 5.3752 5.8322 5.8322 8.7901 8.7901 9.0829 9.0829 9.8074 9.8074 10.1208 10.1208 k = 0.1714-0.2727-0.5285 ( 3761 PWs) bands (ev): -36.1158 -36.1158 -22.9503 -22.9503 -17.0937 -17.0937 -15.6663 -15.6663 -15.6453 -15.6453 -6.7600 -6.7600 -6.5339 -6.5339 -6.4559 -6.4559 -3.6207 -3.6207 -3.2677 -3.2677 3.6914 3.6914 4.0941 4.0941 4.4210 4.4210 4.9303 4.9303 5.3225 5.3225 5.7803 5.7803 8.8024 8.8024 9.1092 9.1092 9.8557 9.8557 10.1149 10.1149 k = 0.1783-0.2836-0.5497 ( 3769 PWs) bands (ev): -36.1157 -36.1157 -22.9500 -22.9500 -17.0944 -17.0944 -15.6673 -15.6673 -15.6462 -15.6462 -6.7616 -6.7616 -6.5348 -6.5348 -6.4581 -6.4581 -3.5894 -3.5894 -3.2722 -3.2722 3.7113 3.7113 4.0474 4.0474 4.4074 4.4074 4.9090 4.9090 5.2716 5.2716 5.7291 5.7291 8.8162 8.8162 9.1353 9.1353 9.8965 9.8965 10.1148 10.1148 k = 0.1851-0.2945-0.5708 ( 3769 PWs) bands (ev): -36.1155 -36.1155 -22.9497 -22.9497 -17.0951 -17.0951 -15.6683 -15.6683 -15.6471 -15.6471 -6.7633 -6.7633 -6.5356 -6.5356 -6.4603 -6.4603 -3.5587 -3.5587 -3.2764 -3.2764 3.7175 3.7175 4.0128 4.0128 4.4008 4.4008 4.8857 4.8857 5.2225 5.2225 5.6785 5.6785 8.8316 8.8316 9.1611 9.1611 9.9256 9.9256 10.1242 10.1242 k = 0.1920-0.3054-0.5920 ( 3753 PWs) bands (ev): -36.1154 -36.1154 -22.9493 -22.9493 -17.0958 -17.0958 -15.6693 -15.6693 -15.6479 -15.6479 -6.7650 -6.7650 -6.5363 -6.5363 -6.4624 -6.4624 -3.5287 -3.5287 -3.2802 -3.2802 3.7074 3.7074 3.9936 3.9936 4.4007 4.4007 4.8602 4.8602 5.1755 5.1755 5.6288 5.6288 8.8484 8.8484 9.1864 9.1864 9.9409 9.9409 10.1447 10.1447 k = 0.1988-0.3163-0.6131 ( 3749 PWs) bands (ev): -36.1153 -36.1153 -22.9490 -22.9490 -17.0965 -17.0965 -15.6703 -15.6703 -15.6487 -15.6487 -6.7667 -6.7667 -6.5369 -6.5369 -6.4643 -6.4643 -3.4996 -3.4996 -3.2837 -3.2837 3.6829 3.6829 3.9877 3.9877 4.4066 4.4066 4.8330 4.8330 5.1305 5.1305 5.5801 5.5801 8.8667 8.8667 9.2113 9.2113 9.9441 9.9441 10.1738 10.1738 k = 0.2057-0.3272-0.6343 ( 3749 PWs) bands (ev): -36.1152 -36.1152 -22.9487 -22.9487 -17.0972 -17.0972 -15.6713 -15.6713 -15.6495 -15.6495 -6.7683 -6.7683 -6.5374 -6.5374 -6.4662 -6.4662 -3.4715 -3.4715 -3.2867 -3.2867 3.6497 3.6497 3.9899 3.9899 4.4179 4.4179 4.8045 4.8045 5.0877 5.0877 5.5325 5.5325 8.8861 8.8861 9.2357 9.2357 9.9396 9.9396 10.2067 10.2067 k = 0.2126-0.3381-0.6554 ( 3755 PWs) bands (ev): -36.1151 -36.1151 -22.9484 -22.9484 -17.0978 -17.0978 -15.6722 -15.6722 -15.6502 -15.6502 -6.7699 -6.7699 -6.5380 -6.5380 -6.4680 -6.4680 -3.4445 -3.4445 -3.2894 -3.2894 3.6131 3.6131 3.9951 3.9951 4.4333 4.4333 4.7755 4.7755 5.0472 5.0472 5.4864 5.4864 8.9065 8.9065 9.2595 9.2595 9.9308 9.9308 10.2394 10.2394 k = 0.2194-0.3490-0.6765 ( 3753 PWs) bands (ev): -36.1150 -36.1150 -22.9481 -22.9481 -17.0984 -17.0984 -15.6730 -15.6730 -15.6509 -15.6509 -6.7714 -6.7714 -6.5385 -6.5385 -6.4697 -6.4697 -3.4189 -3.4189 -3.2916 -3.2916 3.5767 3.5767 4.0004 4.0004 4.4508 4.4508 4.7474 4.7474 5.0091 5.0091 5.4417 5.4417 8.9274 8.9274 9.2826 9.2826 9.9199 9.9199 10.2692 10.2692 k = 0.2263-0.3599-0.6977 ( 3751 PWs) bands (ev): -36.1149 -36.1149 -22.9479 -22.9479 -17.0989 -17.0989 -15.6738 -15.6738 -15.6516 -15.6516 -6.7728 -6.7728 -6.5390 -6.5390 -6.4713 -6.4713 -3.3948 -3.3948 -3.2933 -3.2933 3.5427 3.5427 4.0043 4.0043 4.4673 4.4673 4.7224 4.7224 4.9733 4.9733 5.3988 5.3988 8.9486 8.9486 9.3051 9.3051 9.9080 9.9080 10.2946 10.2946 k = 0.2331-0.3708-0.7188 ( 3748 PWs) bands (ev): -36.1148 -36.1148 -22.9476 -22.9476 -17.0995 -17.0995 -15.6745 -15.6745 -15.6523 -15.6523 -6.7740 -6.7740 -6.5396 -6.5396 -6.4728 -6.4728 -3.3723 -3.3723 -3.2945 -3.2945 3.5123 3.5123 4.0065 4.0065 4.4781 4.4781 4.7046 4.7046 4.9400 4.9400 5.3577 5.3577 8.9693 8.9693 9.3268 9.3268 9.8961 9.8961 10.3148 10.3148 k = 0.2400-0.3817-0.7400 ( 3754 PWs) bands (ev): -36.1147 -36.1147 -22.9474 -22.9474 -17.1000 -17.1000 -15.6751 -15.6751 -15.6530 -15.6530 -6.7750 -6.7750 -6.5402 -6.5402 -6.4741 -6.4741 -3.3515 -3.3515 -3.2952 -3.2952 3.4862 3.4862 4.0066 4.0066 4.4778 4.4778 4.6985 4.6985 4.9093 4.9093 5.3188 5.3188 8.9893 8.9893 9.3479 9.3479 9.8842 9.8842 10.3299 10.3299 k = 0.2468-0.3926-0.7611 ( 3752 PWs) bands (ev): -36.1146 -36.1146 -22.9472 -22.9472 -17.1004 -17.1004 -15.6757 -15.6757 -15.6537 -15.6537 -6.7759 -6.7759 -6.5409 -6.5409 -6.4754 -6.4754 -3.3325 -3.3325 -3.2954 -3.2954 3.4651 3.4651 4.0046 4.0046 4.4641 4.4641 4.7057 4.7057 4.8814 4.8814 5.2823 5.2823 9.0080 9.0080 9.3682 9.3682 9.8723 9.8723 10.3403 10.3403 k = 0.2537-0.4035-0.7822 ( 3750 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1008 -17.1008 -15.6761 -15.6761 -15.6544 -15.6544 -6.7766 -6.7766 -6.5416 -6.5416 -6.4766 -6.4766 -3.3154 -3.3154 -3.2950 -3.2950 3.4491 3.4491 4.0002 4.0002 4.4395 4.4395 4.7231 4.7231 4.8566 4.8566 5.2484 5.2484 9.0251 9.0251 9.3877 9.3877 9.8598 9.8598 10.3476 10.3476 k = 0.2605-0.4144-0.8034 ( 3748 PWs) bands (ev): -36.1145 -36.1145 -22.9468 -22.9468 -17.1012 -17.1012 -15.6765 -15.6765 -15.6551 -15.6551 -6.7771 -6.7771 -6.5423 -6.5423 -6.4777 -6.4777 -3.3009 -3.3009 -3.2936 -3.2936 3.4386 3.4386 3.9933 3.9933 4.4083 4.4083 4.7450 4.7450 4.8362 4.8362 5.2174 5.2174 9.0402 9.0402 9.4064 9.4064 9.8456 9.8456 10.3536 10.3536 k = 0.2674-0.4254-0.8245 ( 3740 PWs) bands (ev): -36.1144 -36.1144 -22.9466 -22.9466 -17.1016 -17.1016 -15.6767 -15.6767 -15.6558 -15.6558 -6.7775 -6.7775 -6.5430 -6.5430 -6.4787 -6.4787 -3.2942 -3.2942 -3.2859 -3.2859 3.4336 3.4336 3.9833 3.9833 4.3742 4.3742 4.7631 4.7631 4.8250 4.8250 5.1895 5.1895 9.0532 9.0532 9.4243 9.4243 9.8286 9.8286 10.3608 10.3608 k = 0.2743-0.4363-0.8457 ( 3730 PWs) bands (ev): -36.1144 -36.1144 -22.9464 -22.9464 -17.1019 -17.1019 -15.6769 -15.6769 -15.6564 -15.6564 -6.7777 -6.7777 -6.5438 -6.5438 -6.4796 -6.4796 -3.2920 -3.2920 -3.2751 -3.2751 3.4341 3.4341 3.9696 3.9696 4.3398 4.3398 4.7652 4.7652 4.8329 4.8329 5.1650 5.1650 9.0641 9.0641 9.4415 9.4415 9.8073 9.8073 10.3715 10.3715 k = 0.2811-0.4472-0.8668 ( 3738 PWs) bands (ev): -36.1143 -36.1143 -22.9463 -22.9463 -17.1022 -17.1022 -15.6770 -15.6770 -15.6571 -15.6571 -6.7777 -6.7777 -6.5446 -6.5446 -6.4805 -6.4805 -3.2896 -3.2896 -3.2660 -3.2660 3.4402 3.4402 3.9516 3.9516 4.3069 4.3069 4.7547 4.7547 4.8551 4.8551 5.1442 5.1442 9.0727 9.0727 9.4577 9.4577 9.7809 9.7809 10.3878 10.3878 k = 0.2880-0.4581-0.8880 ( 3742 PWs) bands (ev): -36.1143 -36.1143 -22.9462 -22.9462 -17.1024 -17.1024 -15.6770 -15.6770 -15.6577 -15.6577 -6.7777 -6.7777 -6.5453 -6.5453 -6.4812 -6.4812 -3.2869 -3.2869 -3.2589 -3.2589 3.4517 3.4517 3.9288 3.9288 4.2770 4.2770 4.7412 4.7412 4.8810 4.8810 5.1274 5.1274 9.0791 9.0791 9.4730 9.4730 9.7494 9.7494 10.4109 10.4109 k = 0.2948-0.4690-0.9091 ( 3736 PWs) bands (ev): -36.1143 -36.1143 -22.9461 -22.9461 -17.1026 -17.1026 -15.6770 -15.6770 -15.6583 -15.6583 -6.7776 -6.7776 -6.5460 -6.5460 -6.4819 -6.4819 -3.2838 -3.2838 -3.2538 -3.2538 3.4685 3.4685 3.9009 3.9009 4.2509 4.2509 4.7279 4.7279 4.9067 4.9067 5.1147 5.1147 9.0832 9.0832 9.4870 9.4870 9.7138 9.7138 10.4411 10.4411 k = 0.3017-0.4799-0.9302 ( 3742 PWs) bands (ev): -36.1142 -36.1142 -22.9461 -22.9461 -17.1027 -17.1027 -15.6769 -15.6769 -15.6588 -15.6588 -6.7774 -6.7774 -6.5466 -6.5466 -6.4825 -6.4825 -3.2802 -3.2802 -3.2506 -3.2506 3.4900 3.4900 3.8683 3.8683 4.2289 4.2289 4.7155 4.7155 4.9310 4.9310 5.1062 5.1062 9.0843 9.0843 9.4991 9.4991 9.6765 9.6765 10.4780 10.4780 k = 0.3085-0.4908-0.9514 ( 3748 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1029 -17.1029 -15.6768 -15.6768 -15.6592 -15.6592 -6.7771 -6.7771 -6.5470 -6.5470 -6.4830 -6.4830 -3.2763 -3.2763 -3.2492 -3.2492 3.5158 3.5158 3.8319 3.8319 4.2111 4.2111 4.7043 4.7043 4.9531 4.9531 5.1022 5.1022 9.0816 9.0816 9.5077 9.5077 9.6414 9.6414 10.5209 10.5209 k = 0.3154-0.5017-0.9725 ( 3746 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6767 -15.6767 -15.6596 -15.6596 -6.7769 -6.7769 -6.5474 -6.5474 -6.4834 -6.4834 -3.2721 -3.2721 -3.2496 -3.2496 3.5445 3.5445 3.7936 3.7936 4.1970 4.1970 4.6945 4.6945 4.9729 4.9729 5.1024 5.1024 9.0734 9.0734 9.5099 9.5099 9.6142 9.6142 10.5687 10.5687 k = 0.3223-0.5126-0.9937 ( 3756 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6766 -15.6766 -15.6599 -15.6599 -6.7767 -6.7767 -6.5477 -6.5477 -6.4837 -6.4837 -3.2676 -3.2676 -3.2516 -3.2516 3.5731 3.5731 3.7566 3.7566 4.1862 4.1862 4.6861 4.6861 4.9902 4.9902 5.1069 5.1069 9.0579 9.0579 9.5030 9.5030 9.6012 9.6012 10.6205 10.6205 k = 0.3291-0.5235-1.0148 ( 3762 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1031 -17.1031 -15.6765 -15.6765 -15.6600 -15.6600 -6.7766 -6.7766 -6.5478 -6.5478 -6.4839 -6.4839 -3.2632 -3.2632 -3.2548 -3.2548 3.5934 3.5934 3.7297 3.7297 4.1784 4.1784 4.6794 4.6794 5.0051 5.0051 5.1151 5.1151 9.0329 9.0329 9.4911 9.4911 9.6010 9.6010 10.6751 10.6751 k = 0.3360-0.5344-1.0359 ( 3768 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1031 -17.1031 -15.6765 -15.6765 -15.6600 -15.6600 -6.7766 -6.7766 -6.5477 -6.5477 -6.4839 -6.4839 -3.2626 -3.2626 -3.2554 -3.2554 3.5887 3.5887 3.7292 3.7292 4.1739 4.1739 4.6743 4.6743 5.0177 5.0177 5.1268 5.1268 8.9973 8.9973 9.4823 9.4823 9.6078 9.6078 10.7317 10.7317 k = 0.3428-0.5453-1.0571 ( 3766 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6766 -15.6766 -15.6599 -15.6599 -6.7766 -6.7766 -6.5476 -6.5476 -6.4838 -6.4838 -3.2681 -3.2681 -3.2510 -3.2510 3.5583 3.5583 3.7556 3.7556 4.1730 4.1730 4.6710 4.6710 5.0284 5.0284 5.1415 5.1415 8.9513 8.9513 9.4810 9.4810 9.6175 9.6175 10.7894 10.7894 k = 0.6572-0.4012-0.9693 ( 3766 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6766 -15.6766 -15.6599 -15.6599 -6.7766 -6.7766 -6.5476 -6.5476 -6.4838 -6.4838 -3.2681 -3.2681 -3.2510 -3.2510 3.5583 3.5583 3.7556 3.7556 4.1730 4.1730 4.6710 4.6710 5.0284 5.0284 5.1415 5.1415 8.9513 8.9513 9.4810 9.4810 9.6175 9.6175 10.7894 10.7894 k = 0.6503-0.3775-0.9693 ( 3762 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1030 -17.1030 -15.6768 -15.6768 -15.6596 -15.6596 -6.7768 -6.7768 -6.5473 -6.5473 -6.4834 -6.4834 -3.2756 -3.2756 -3.2456 -3.2456 3.5167 3.5167 3.7929 3.7929 4.1768 4.1768 4.6696 4.6696 5.0372 5.0372 5.1586 5.1586 8.8965 8.8965 9.4878 9.4878 9.6284 9.6284 10.8472 10.8472 k = 0.6435-0.3538-0.9693 ( 3766 PWs) bands (ev): -36.1142 -36.1142 -22.9460 -22.9460 -17.1029 -17.1029 -15.6770 -15.6770 -15.6592 -15.6592 -6.7771 -6.7771 -6.5470 -6.5470 -6.4829 -6.4829 -3.2842 -3.2842 -3.2400 -3.2400 3.4714 3.4714 3.8320 3.8320 4.1871 4.1871 4.6700 4.6700 5.0446 5.0446 5.1780 5.1780 8.8347 8.8347 9.5018 9.5018 9.6398 9.6398 10.9044 10.9044 k = 0.6367-0.3301-0.9693 ( 3764 PWs) bands (ev): -36.1143 -36.1143 -22.9461 -22.9461 -17.1028 -17.1028 -15.6773 -15.6773 -15.6587 -15.6587 -6.7776 -6.7776 -6.5466 -6.5466 -6.4821 -6.4821 -3.2938 -3.2938 -3.2343 -3.2343 3.4249 3.4249 3.8678 3.8678 4.2062 4.2062 4.6724 4.6724 5.0505 5.0505 5.1993 5.1993 8.7677 8.7677 9.5214 9.5214 9.6514 9.6514 10.9597 10.9597 k = 0.6298-0.3064-0.9693 ( 3764 PWs) bands (ev): -36.1143 -36.1143 -22.9461 -22.9461 -17.1027 -17.1027 -15.6777 -15.6777 -15.6580 -15.6580 -6.7782 -6.7782 -6.5461 -6.5461 -6.4810 -6.4810 -3.3040 -3.3040 -3.2284 -3.2284 3.3785 3.3785 3.8968 3.8968 4.2359 4.2359 4.6768 4.6768 5.0552 5.0552 5.2223 5.2223 8.6969 8.6969 9.5452 9.5452 9.6632 9.6632 10.9783 10.9783 k = 0.6230-0.2827-0.9693 ( 3766 PWs) bands (ev): -36.1143 -36.1143 -22.9462 -22.9462 -17.1026 -17.1026 -15.6781 -15.6781 -15.6572 -15.6572 -6.7789 -6.7789 -6.5457 -6.5457 -6.4797 -6.4797 -3.3149 -3.3149 -3.2226 -3.2226 3.3329 3.3329 3.9176 3.9176 4.2769 4.2769 4.6832 4.6832 5.0589 5.0589 5.2468 5.2468 8.6235 8.6235 9.5718 9.5718 9.6754 9.6754 10.9480 10.9480 k = 0.6162-0.2590-0.9693 ( 3764 PWs) bands (ev): -36.1143 -36.1143 -22.9462 -22.9462 -17.1025 -17.1025 -15.6786 -15.6786 -15.6564 -15.6564 -6.7798 -6.7798 -6.5452 -6.5452 -6.4782 -6.4782 -3.3262 -3.3262 -3.2168 -3.2168 3.2883 3.2883 3.9304 3.9304 4.3278 4.3278 4.6920 4.6920 5.0617 5.0617 5.2725 5.2725 8.5484 8.5484 9.5999 9.5999 9.6883 9.6883 10.9192 10.9192 k = 0.6093-0.2352-0.9693 ( 3770 PWs) bands (ev): -36.1143 -36.1143 -22.9463 -22.9463 -17.1024 -17.1024 -15.6791 -15.6791 -15.6555 -15.6555 -6.7807 -6.7807 -6.5449 -6.5449 -6.4764 -6.4764 -3.3377 -3.3377 -3.2110 -3.2110 3.2452 3.2452 3.9369 3.9369 4.3855 4.3855 4.7036 4.7036 5.0640 5.0640 5.2992 5.2992 8.4721 8.4721 9.6279 9.6279 9.7027 9.7027 10.8929 10.8929 k = 0.6025-0.2115-0.9693 ( 3770 PWs) bands (ev): -36.1144 -36.1144 -22.9464 -22.9464 -17.1023 -17.1023 -15.6796 -15.6796 -15.6545 -15.6545 -6.7818 -6.7818 -6.5445 -6.5445 -6.4744 -6.4744 -3.3494 -3.3494 -3.2054 -3.2054 3.2038 3.2038 3.9390 3.9390 4.4467 4.4467 4.7188 4.7188 5.0660 5.0660 5.3268 5.3268 8.3951 8.3951 9.6540 9.6540 9.7197 9.7197 10.8692 10.8692 k = 0.5957-0.1878-0.9693 ( 3770 PWs) bands (ev): -36.1144 -36.1144 -22.9465 -22.9465 -17.1021 -17.1021 -15.6801 -15.6801 -15.6536 -15.6536 -6.7830 -6.7830 -6.5443 -6.5443 -6.4721 -6.4721 -3.3610 -3.3610 -3.1999 -3.1999 3.1644 3.1644 3.9381 3.9381 4.5070 4.5070 4.7395 4.7395 5.0680 5.0680 5.3552 5.3552 8.3177 8.3177 9.6767 9.6767 9.7404 9.7404 10.8480 10.8480 k = 0.5888-0.1641-0.9693 ( 3764 PWs) bands (ev): -36.1144 -36.1144 -22.9465 -22.9465 -17.1020 -17.1020 -15.6806 -15.6806 -15.6526 -15.6526 -6.7842 -6.7842 -6.5441 -6.5441 -6.4697 -6.4697 -3.3725 -3.3725 -3.1946 -3.1946 3.1269 3.1269 3.9353 3.9353 4.5616 4.5616 4.7686 4.7686 5.0702 5.0702 5.3842 5.3842 8.2404 8.2404 9.6959 9.6959 9.7645 9.7645 10.8291 10.8291 k = 0.5820-0.1404-0.9693 ( 3756 PWs) bands (ev): -36.1144 -36.1144 -22.9466 -22.9466 -17.1018 -17.1018 -15.6811 -15.6811 -15.6516 -15.6516 -6.7854 -6.7854 -6.5440 -6.5440 -6.4672 -6.4672 -3.3837 -3.3837 -3.1896 -3.1896 3.0918 3.0918 3.9313 3.9313 4.6056 4.6056 4.8087 4.8087 5.0728 5.0728 5.4140 5.4140 8.1635 8.1635 9.7127 9.7127 9.7904 9.7904 10.8120 10.8120 k = 0.5752-0.1167-0.9693 ( 3754 PWs) bands (ev): -36.1145 -36.1145 -22.9466 -22.9466 -17.1017 -17.1017 -15.6816 -15.6816 -15.6507 -15.6507 -6.7866 -6.7866 -6.5440 -6.5440 -6.4647 -6.4647 -3.3945 -3.3945 -3.1848 -3.1848 3.0589 3.0589 3.9266 3.9266 4.6378 4.6378 4.8594 4.8594 5.0762 5.0762 5.4447 5.4447 8.0873 8.0873 9.7287 9.7287 9.8163 9.8163 10.7959 10.7959 k = 0.5683-0.0930-0.9693 ( 3760 PWs) bands (ev): -36.1145 -36.1145 -22.9467 -22.9467 -17.1016 -17.1016 -15.6821 -15.6821 -15.6498 -15.6498 -6.7879 -6.7879 -6.5440 -6.5440 -6.4621 -6.4621 -3.4047 -3.4047 -3.1803 -3.1803 3.0286 3.0286 3.9216 3.9216 4.6602 4.6602 4.9165 4.9165 5.0807 5.0807 5.4765 5.4765 8.0122 8.0122 9.7448 9.7448 9.8409 9.8409 10.7801 10.7801 k = 0.5615-0.0693-0.9693 ( 3758 PWs) bands (ev): -36.1145 -36.1145 -22.9468 -22.9468 -17.1015 -17.1015 -15.6826 -15.6826 -15.6490 -15.6490 -6.7890 -6.7890 -6.5441 -6.5441 -6.4596 -6.4596 -3.4143 -3.4143 -3.1761 -3.1761 3.0009 3.0009 3.9166 3.9166 4.6762 4.6762 4.9740 4.9740 5.0873 5.0873 5.5096 5.5096 7.9388 7.9388 9.7619 9.7619 9.8634 9.8634 10.7631 10.7631 k = 0.5547-0.0456-0.9693 ( 3756 PWs) bands (ev): -36.1145 -36.1145 -22.9468 -22.9468 -17.1013 -17.1013 -15.6830 -15.6830 -15.6482 -15.6482 -6.7902 -6.7902 -6.5442 -6.5442 -6.4572 -6.4572 -3.4232 -3.4232 -3.1723 -3.1723 2.9758 2.9758 3.9118 3.9118 4.6881 4.6881 5.0253 5.0253 5.0985 5.0985 5.5444 5.5444 7.8677 7.8677 9.7801 9.7801 9.8832 9.8832 10.7434 10.7434 k = 0.5478-0.0219-0.9693 ( 3756 PWs) bands (ev): -36.1145 -36.1145 -22.9469 -22.9469 -17.1012 -17.1012 -15.6833 -15.6833 -15.6474 -15.6474 -6.7912 -6.7912 -6.5443 -6.5443 -6.4549 -6.4549 -3.4312 -3.4312 -3.1689 -3.1689 2.9535 2.9535 3.9072 3.9072 4.6970 4.6970 5.0603 5.0603 5.1215 5.1215 5.5808 5.5808 7.7998 7.7998 9.7995 9.7995 9.9002 9.9002 10.7193 10.7193 k = 0.5410 0.0019-0.9693 ( 3762 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1011 -17.1011 -15.6837 -15.6837 -15.6468 -15.6468 -6.7921 -6.7921 -6.5444 -6.5444 -6.4529 -6.4529 -3.4383 -3.4383 -3.1659 -3.1659 2.9340 2.9340 3.9031 3.9031 4.7039 4.7039 5.0770 5.0770 5.1563 5.1563 5.6182 5.6182 7.7363 7.7363 9.8200 9.8200 9.9143 9.9143 10.6899 10.6899 k = 0.5342 0.0256-0.9693 ( 3758 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1011 -17.1011 -15.6839 -15.6839 -15.6463 -15.6463 -6.7930 -6.7930 -6.5445 -6.5445 -6.4511 -6.4511 -3.4445 -3.4445 -3.1633 -3.1633 2.9174 2.9174 3.8995 3.8995 4.7092 4.7092 5.0859 5.0859 5.1912 5.1912 5.6555 5.6555 7.6783 7.6783 9.8408 9.8408 9.9256 9.9256 10.6558 10.6558 k = 0.5273 0.0493-0.9693 ( 3762 PWs) bands (ev): -36.1146 -36.1146 -22.9470 -22.9470 -17.1010 -17.1010 -15.6842 -15.6842 -15.6458 -15.6458 -6.7937 -6.7937 -6.5446 -6.5446 -6.4495 -6.4495 -3.4496 -3.4496 -3.1612 -3.1612 2.9038 2.9038 3.8965 3.8965 4.7132 4.7132 5.0919 5.0919 5.2206 5.2206 5.6909 5.6909 7.6274 7.6274 9.8609 9.8609 9.9347 9.9347 10.6196 10.6196 k = 0.5205 0.0730-0.9693 ( 3762 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6844 -15.6844 -15.6454 -15.6454 -6.7942 -6.7942 -6.5447 -6.5447 -6.4483 -6.4483 -3.4536 -3.4536 -3.1595 -3.1595 2.8932 2.8932 3.8941 3.8941 4.7161 4.7161 5.0963 5.0963 5.2433 5.2433 5.7221 5.7221 7.5853 7.5853 9.8789 9.8789 9.9419 9.9419 10.5850 10.5850 k = 0.5137 0.0967-0.9693 ( 3756 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6452 -15.6452 -6.7946 -6.7946 -6.5448 -6.5448 -6.4474 -6.4474 -3.4565 -3.4565 -3.1583 -3.1583 2.8855 2.8855 3.8924 3.8924 4.7181 4.7181 5.0995 5.0995 5.2592 5.2592 5.7466 5.7466 7.5537 7.5537 9.8930 9.8930 9.9477 9.9477 10.5563 10.5563 k = 0.5068 0.1204-0.9693 ( 3760 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6846 -15.6846 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4468 -6.4468 -3.4583 -3.4583 -3.1576 -3.1576 2.8809 2.8809 3.8913 3.8913 4.7192 4.7192 5.1014 5.1014 5.2685 5.2685 5.7623 5.7623 7.5340 7.5340 9.9017 9.9017 9.9518 9.9518 10.5373 10.5373 k = 0.5000 0.1441-0.9693 ( 3762 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6846 -15.6846 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4467 -6.4467 -3.4589 -3.4589 -3.1573 -3.1573 2.8794 2.8794 3.8909 3.8909 4.7196 4.7196 5.1021 5.1021 5.2716 5.2716 5.7677 5.7677 7.5273 7.5273 9.9046 9.9046 9.9534 9.9534 10.5307 10.5307 k = 0.5000 0.1441-0.9693 ( 3762 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6846 -15.6846 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4467 -6.4467 -3.4589 -3.4589 -3.1573 -3.1573 2.8794 2.8794 3.8909 3.8909 4.7196 4.7196 5.1021 5.1021 5.2716 5.2716 5.7677 5.7677 7.5273 7.5273 9.9046 9.9046 9.9534 9.9534 10.5307 10.5307 k = 0.5196 0.1498-0.9583 ( 3759 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6846 -15.6846 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4467 -6.4467 -3.4588 -3.4588 -3.1575 -3.1575 2.8806 2.8806 3.8905 3.8905 4.7193 4.7193 5.1018 5.1018 5.2709 5.2709 5.7669 5.7669 7.5290 7.5290 9.9044 9.9044 9.9530 9.9530 10.5317 10.5317 k = 0.5393 0.1554-0.9473 ( 3761 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6846 -15.6846 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4467 -6.4467 -3.4584 -3.4584 -3.1582 -3.1582 2.8842 2.8842 3.8890 3.8890 4.7184 4.7184 5.1009 5.1009 5.2685 5.2685 5.7646 5.7646 7.5339 7.5339 9.9037 9.9037 9.9520 9.9520 10.5346 10.5346 k = 0.5589 0.1611-0.9363 ( 3748 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6450 -15.6450 -6.7949 -6.7949 -6.5449 -6.5449 -6.4467 -6.4467 -3.4577 -3.4577 -3.1593 -3.1593 2.8901 2.8901 3.8867 3.8867 4.7169 4.7169 5.0995 5.0995 5.2647 5.2647 5.7608 5.7608 7.5420 7.5420 9.9026 9.9026 9.9504 9.9504 10.5394 10.5394 k = 0.5786 0.1668-0.9254 ( 3749 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6450 -15.6450 -6.7948 -6.7948 -6.5449 -6.5449 -6.4467 -6.4467 -3.4568 -3.4568 -3.1609 -3.1609 2.8983 2.8983 3.8834 3.8834 4.7148 4.7148 5.0975 5.0975 5.2594 5.2594 5.7557 5.7557 7.5532 7.5532 9.9011 9.9011 9.9484 9.9484 10.5459 10.5459 k = 0.5982 0.1724-0.9144 ( 3749 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7948 -6.7948 -6.5450 -6.5450 -6.4468 -6.4468 -3.4556 -3.4556 -3.1629 -3.1629 2.9088 2.9088 3.8793 3.8793 4.7120 4.7120 5.0950 5.0950 5.2528 5.2528 5.7494 5.7494 7.5673 7.5673 9.8993 9.8993 9.9461 9.9461 10.5537 10.5537 k = 0.6179 0.1781-0.9034 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7947 -6.7947 -6.5450 -6.5450 -6.4469 -6.4469 -3.4542 -3.4542 -3.1653 -3.1653 2.9216 2.9216 3.8743 3.8743 4.7085 4.7085 5.0921 5.0921 5.2449 5.2449 5.7421 5.7421 7.5842 7.5842 9.8972 9.8972 9.9437 9.9437 10.5624 10.5624 k = 0.6375 0.1837-0.8924 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6843 -15.6843 -15.6449 -15.6449 -6.7946 -6.7946 -6.5451 -6.5451 -6.4469 -6.4469 -3.4526 -3.4526 -3.1681 -3.1681 2.9365 2.9365 3.8686 3.8686 4.7043 4.7043 5.0889 5.0889 5.2359 5.2359 5.7340 5.7340 7.6035 7.6035 9.8951 9.8951 9.9415 9.9415 10.5713 10.5713 k = 0.6572 0.1894-0.8815 ( 3750 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6842 -15.6842 -15.6449 -15.6449 -6.7945 -6.7945 -6.5452 -6.5452 -6.4470 -6.4470 -3.4508 -3.4508 -3.1713 -3.1713 2.9534 2.9534 3.8622 3.8622 4.6992 4.6992 5.0854 5.0854 5.2259 5.2259 5.7254 5.7254 7.6251 7.6251 9.8929 9.8929 9.9394 9.9394 10.5799 10.5799 k = 0.6572 0.1894-0.8815 ( 3750 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6842 -15.6842 -15.6449 -15.6449 -6.7945 -6.7945 -6.5452 -6.5452 -6.4470 -6.4470 -3.4508 -3.4508 -3.1713 -3.1713 2.9534 2.9534 3.8622 3.8622 4.6992 4.6992 5.0854 5.0854 5.2259 5.2259 5.7254 5.7254 7.6251 7.6251 9.8929 9.8929 9.9394 9.9394 10.5799 10.5799 k = 0.6531 0.1882-0.8566 ( 3752 PWs) bands (ev): -36.1147 -36.1147 -22.9472 -22.9472 -17.1005 -17.1005 -15.6838 -15.6838 -15.6449 -15.6449 -6.7935 -6.7935 -6.5451 -6.5451 -6.4472 -6.4472 -3.4559 -3.4559 -3.1724 -3.1724 2.9655 2.9655 3.8539 3.8539 4.6972 4.6972 5.0824 5.0824 5.2472 5.2472 5.7408 5.7408 7.6162 7.6162 9.8801 9.8801 9.9261 9.9261 10.6059 10.6059 k = 0.6491 0.1871-0.8318 ( 3746 PWs) bands (ev): -36.1147 -36.1147 -22.9473 -22.9473 -17.1003 -17.1003 -15.6833 -15.6833 -15.6449 -15.6449 -6.7923 -6.7923 -6.5450 -6.5450 -6.4475 -6.4475 -3.4610 -3.4610 -3.1756 -3.1756 2.9831 2.9831 3.8459 3.8459 4.6961 4.6961 5.0802 5.0802 5.2677 5.2677 5.7562 5.7562 7.6105 7.6105 9.8647 9.8647 9.9114 9.9114 10.6326 10.6326 k = 0.6451 0.1859-0.8069 ( 3732 PWs) bands (ev): -36.1147 -36.1147 -22.9474 -22.9474 -17.1000 -17.1000 -15.6826 -15.6826 -15.6449 -15.6449 -6.7907 -6.7907 -6.5449 -6.5449 -6.4478 -6.4478 -3.4664 -3.4664 -3.1808 -3.1808 3.0058 3.0058 3.8385 3.8385 4.6961 4.6961 5.0788 5.0788 5.2874 5.2874 5.7714 5.7714 7.6083 7.6083 9.8473 9.8473 9.8952 9.8952 10.6594 10.6594 k = 0.6411 0.1848-0.7821 ( 3732 PWs) bands (ev): -36.1148 -36.1148 -22.9476 -22.9476 -17.0997 -17.0997 -15.6818 -15.6818 -15.6448 -15.6448 -6.7889 -6.7889 -6.5447 -6.5447 -6.4481 -6.4481 -3.4720 -3.4720 -3.1880 -3.1880 3.0334 3.0334 3.8318 3.8318 4.6970 4.6970 5.0783 5.0783 5.3063 5.3063 5.7863 5.7863 7.6096 7.6096 9.8281 9.8281 9.8775 9.8775 10.6855 10.6855 k = 0.6370 0.1836-0.7572 ( 3748 PWs) bands (ev): -36.1148 -36.1148 -22.9478 -22.9478 -17.0993 -17.0993 -15.6809 -15.6809 -15.6448 -15.6448 -6.7868 -6.7868 -6.5445 -6.5445 -6.4485 -6.4485 -3.4780 -3.4780 -3.1969 -3.1969 3.0657 3.0657 3.8260 3.8260 4.6989 4.6989 5.0785 5.0785 5.3246 5.3246 5.8009 5.8009 7.6146 7.6146 9.8074 9.8074 9.8584 9.8584 10.7096 10.7096 k = 0.6330 0.1824-0.7323 ( 3754 PWs) bands (ev): -36.1149 -36.1149 -22.9480 -22.9480 -17.0989 -17.0989 -15.6799 -15.6799 -15.6447 -15.6447 -6.7846 -6.7846 -6.5443 -6.5443 -6.4488 -6.4488 -3.4843 -3.4843 -3.2073 -3.2073 3.1022 3.1022 3.8212 3.8212 4.7018 4.7018 5.0793 5.0793 5.3424 5.3424 5.8150 5.8150 7.6234 7.6234 9.7856 9.7856 9.8380 9.8380 10.7299 10.7299 k = 0.6290 0.1813-0.7075 ( 3750 PWs) bands (ev): -36.1150 -36.1150 -22.9482 -22.9482 -17.0984 -17.0984 -15.6787 -15.6787 -15.6446 -15.6446 -6.7822 -6.7822 -6.5441 -6.5441 -6.4490 -6.4490 -3.4911 -3.4911 -3.2191 -3.2191 3.1425 3.1425 3.8177 3.8177 4.7056 4.7056 5.0807 5.0807 5.3600 5.3600 5.8286 5.8286 7.6360 7.6360 9.7629 9.7629 9.8164 9.8164 10.7436 10.7436 k = 0.6249 0.1801-0.6826 ( 3757 PWs) bands (ev): -36.1151 -36.1151 -22.9485 -22.9485 -17.0978 -17.0978 -15.6775 -15.6775 -15.6445 -15.6445 -6.7797 -6.7797 -6.5438 -6.5438 -6.4492 -6.4492 -3.4984 -3.4984 -3.2320 -3.2320 3.1863 3.1863 3.8156 3.8156 4.7105 4.7105 5.0825 5.0825 5.3775 5.3775 5.8418 5.8418 7.6524 7.6524 9.7394 9.7394 9.7939 9.7939 10.7466 10.7466 k = 0.6209 0.1790-0.6578 ( 3762 PWs) bands (ev): -36.1152 -36.1152 -22.9487 -22.9487 -17.0973 -17.0973 -15.6763 -15.6763 -15.6443 -15.6443 -6.7771 -6.7771 -6.5434 -6.5434 -6.4493 -6.4493 -3.5062 -3.5062 -3.2459 -3.2459 3.2329 3.2329 3.8150 3.8150 4.7165 4.7165 5.0847 5.0847 5.3950 5.3950 5.8546 5.8546 7.6725 7.6725 9.7151 9.7151 9.7708 9.7708 10.7290 10.7290 k = 0.6169 0.1778-0.6329 ( 3764 PWs) bands (ev): -36.1153 -36.1153 -22.9490 -22.9490 -17.0967 -17.0967 -15.6749 -15.6749 -15.6441 -15.6441 -6.7745 -6.7745 -6.5429 -6.5429 -6.4493 -6.4493 -3.5147 -3.5147 -3.2605 -3.2605 3.2820 3.2820 3.8159 3.8159 4.7238 4.7238 5.0871 5.0871 5.4127 5.4127 5.8669 5.8669 7.6963 7.6963 9.6899 9.6899 9.7474 9.7474 10.7026 10.7026 k = 0.6128 0.1766-0.6081 ( 3770 PWs) bands (ev): -36.1154 -36.1154 -22.9493 -22.9493 -17.0960 -17.0960 -15.6735 -15.6735 -15.6439 -15.6439 -6.7720 -6.7720 -6.5424 -6.5424 -6.4491 -6.4491 -3.5238 -3.5238 -3.2757 -3.2757 3.3328 3.3328 3.8186 3.8186 4.7328 4.7328 5.0898 5.0898 5.4306 5.4306 5.8788 5.8788 7.7236 7.7236 9.6635 9.6635 9.7244 9.7244 10.6729 10.6729 k = 0.6088 0.1755-0.5832 ( 3772 PWs) bands (ev): -36.1155 -36.1155 -22.9496 -22.9496 -17.0954 -17.0954 -15.6721 -15.6721 -15.6436 -15.6436 -6.7695 -6.7695 -6.5417 -6.5417 -6.4488 -6.4488 -3.5337 -3.5337 -3.2912 -3.2912 3.3848 3.3848 3.8230 3.8230 4.7438 4.7438 5.0926 5.0926 5.4488 5.4488 5.8903 5.8903 7.7544 7.7544 9.6355 9.6355 9.7022 9.7022 10.6366 10.6366 k = 0.6048 0.1743-0.5584 ( 3769 PWs) bands (ev): -36.1156 -36.1156 -22.9499 -22.9499 -17.0947 -17.0947 -15.6707 -15.6707 -15.6433 -15.6433 -6.7672 -6.7672 -6.5409 -6.5409 -6.4483 -6.4483 -3.5443 -3.5443 -3.3069 -3.3069 3.4372 3.4372 3.8293 3.8293 4.7570 4.7570 5.0956 5.0956 5.4673 5.4673 5.9014 5.9014 7.7884 7.7884 9.6055 9.6055 9.6816 9.6816 10.5920 10.5920 k = 0.6008 0.1731-0.5335 ( 3766 PWs) bands (ev): -36.1157 -36.1157 -22.9502 -22.9502 -17.0939 -17.0939 -15.6692 -15.6692 -15.6428 -15.6428 -6.7650 -6.7650 -6.5399 -6.5399 -6.4475 -6.4475 -3.5556 -3.5556 -3.3227 -3.3227 3.4893 3.4893 3.8374 3.8374 4.7730 4.7730 5.0987 5.0987 5.4861 5.4861 5.9122 5.9122 7.8255 7.8255 9.5733 9.5733 9.6628 9.6628 10.5412 10.5412 k = 0.5967 0.1720-0.5087 ( 3773 PWs) bands (ev): -36.1159 -36.1159 -22.9506 -22.9506 -17.0932 -17.0932 -15.6678 -15.6678 -15.6423 -15.6423 -6.7631 -6.7631 -6.5388 -6.5388 -6.4466 -6.4466 -3.5676 -3.5676 -3.3382 -3.3382 3.5401 3.5401 3.8477 3.8477 4.7922 4.7922 5.1020 5.1020 5.5052 5.5052 5.9227 5.9227 7.8653 7.8653 9.5389 9.5389 9.6460 9.6460 10.4868 10.4868 k = 0.5927 0.1708-0.4838 ( 3771 PWs) bands (ev): -36.1160 -36.1160 -22.9509 -22.9509 -17.0925 -17.0925 -15.6665 -15.6665 -15.6417 -15.6417 -6.7615 -6.7615 -6.5375 -6.5375 -6.4454 -6.4454 -3.5802 -3.5802 -3.3535 -3.3535 3.5888 3.5888 3.8603 3.8603 4.8149 4.8149 5.1055 5.1055 5.5243 5.5243 5.9331 5.9331 7.9076 7.9076 9.5022 9.5022 9.6310 9.6310 10.4307 10.4307 k = 0.5887 0.1697-0.4590 ( 3778 PWs) bands (ev): -36.1161 -36.1161 -22.9513 -22.9513 -17.0917 -17.0917 -15.6652 -15.6652 -15.6410 -15.6410 -6.7601 -6.7601 -6.5360 -6.5360 -6.4440 -6.4440 -3.5935 -3.5935 -3.3685 -3.3685 3.6341 3.6341 3.8757 3.8757 4.8413 4.8413 5.1094 5.1094 5.5434 5.5434 5.9433 5.9433 7.9520 7.9520 9.4634 9.4634 9.6176 9.6176 10.3744 10.3744 k = 0.5846 0.1685-0.4341 ( 3774 PWs) bands (ev): -36.1162 -36.1162 -22.9516 -22.9516 -17.0910 -17.0910 -15.6641 -15.6641 -15.6402 -15.6402 -6.7591 -6.7591 -6.5344 -6.5344 -6.4423 -6.4423 -3.6073 -3.6073 -3.3831 -3.3831 3.6748 3.6748 3.8946 3.8946 4.8713 4.8713 5.1140 5.1140 5.5621 5.5621 5.9537 5.9537 7.9982 7.9982 9.4227 9.4227 9.6053 9.6053 10.3192 10.3192 k = 0.5806 0.1673-0.4093 ( 3779 PWs) bands (ev): -36.1164 -36.1164 -22.9520 -22.9520 -17.0902 -17.0902 -15.6630 -15.6630 -15.6392 -15.6392 -6.7584 -6.7584 -6.5326 -6.5326 -6.4405 -6.4405 -3.6215 -3.6215 -3.3972 -3.3972 3.7098 3.7098 3.9179 3.9179 4.9042 4.9042 5.1200 5.1200 5.5801 5.5801 5.9646 5.9646 8.0458 8.0458 9.3803 9.3803 9.5933 9.5933 10.2666 10.2666 k = 0.5766 0.1662-0.3844 ( 3781 PWs) bands (ev): -36.1165 -36.1165 -22.9524 -22.9524 -17.0894 -17.0894 -15.6620 -15.6620 -15.6382 -15.6382 -6.7581 -6.7581 -6.5306 -6.5306 -6.4383 -6.4383 -3.6359 -3.6359 -3.4108 -3.4108 3.7381 3.7381 3.9460 3.9460 4.9386 4.9386 5.1285 5.1285 5.5972 5.5972 5.9763 5.9763 8.0943 8.0943 9.3364 9.3364 9.5806 9.5806 10.2181 10.2181 k = 0.5725 0.1650-0.3595 ( 3775 PWs) bands (ev): -36.1166 -36.1166 -22.9527 -22.9527 -17.0887 -17.0887 -15.6612 -15.6612 -15.6371 -15.6371 -6.7581 -6.7581 -6.5285 -6.5285 -6.4360 -6.4360 -3.6505 -3.6505 -3.4240 -3.4240 3.7598 3.7598 3.9790 3.9790 4.9720 4.9720 5.1415 5.1415 5.6131 5.6131 5.9893 5.9893 8.1432 8.1432 9.2913 9.2913 9.5656 9.5656 10.1756 10.1756 k = 0.5685 0.1639-0.3347 ( 3779 PWs) bands (ev): -36.1167 -36.1167 -22.9531 -22.9531 -17.0880 -17.0880 -15.6605 -15.6605 -15.6358 -15.6358 -6.7584 -6.7584 -6.5264 -6.5264 -6.4334 -6.4334 -3.6650 -3.6650 -3.4366 -3.4366 3.7755 3.7755 4.0162 4.0162 5.0008 5.0008 5.1616 5.1616 5.6275 5.6275 6.0042 6.0042 8.1921 8.1921 9.2453 9.2453 9.5464 9.5464 10.1415 10.1415 k = 0.5645 0.1627-0.3098 ( 3773 PWs) bands (ev): -36.1168 -36.1168 -22.9534 -22.9534 -17.0873 -17.0873 -15.6598 -15.6598 -15.6345 -15.6345 -6.7590 -6.7590 -6.5242 -6.5242 -6.4306 -6.4306 -3.6794 -3.6794 -3.4487 -3.4487 3.7864 3.7864 4.0567 4.0567 5.0220 5.0220 5.1905 5.1905 5.6406 5.6406 6.0215 6.0215 8.2406 8.2406 9.1987 9.1987 9.5211 9.5211 10.1180 10.1180 k = 0.5605 0.1615-0.2850 ( 3772 PWs) bands (ev): -36.1170 -36.1170 -22.9537 -22.9537 -17.0866 -17.0866 -15.6593 -15.6593 -15.6332 -15.6332 -6.7598 -6.7598 -6.5219 -6.5219 -6.4277 -6.4277 -3.6936 -3.6936 -3.4603 -3.4603 3.7934 3.7934 4.0997 4.0997 5.0353 5.0353 5.2266 5.2266 5.6529 5.6529 6.0416 6.0416 8.2881 8.2881 9.1518 9.1518 9.4881 9.4881 10.1069 10.1069 k = 0.5564 0.1604-0.2601 ( 3764 PWs) bands (ev): -36.1171 -36.1171 -22.9540 -22.9540 -17.0859 -17.0859 -15.6589 -15.6589 -15.6318 -15.6318 -6.7608 -6.7608 -6.5197 -6.5197 -6.4247 -6.4247 -3.7073 -3.7073 -3.4714 -3.4714 3.7975 3.7975 4.1448 4.1448 5.0424 5.0424 5.2656 5.2656 5.6658 5.6658 6.0648 6.0648 8.3344 8.3344 9.1050 9.1050 9.4470 9.4470 10.1086 10.1086 k = 0.5524 0.1592-0.2353 ( 3765 PWs) bands (ev): -36.1172 -36.1172 -22.9543 -22.9543 -17.0853 -17.0853 -15.6585 -15.6585 -15.6304 -15.6304 -6.7620 -6.7620 -6.5175 -6.5175 -6.4215 -6.4215 -3.7205 -3.7205 -3.4819 -3.4819 3.7993 3.7993 4.1915 4.1915 5.0455 5.0455 5.3023 5.3023 5.6811 5.6811 6.0912 6.0912 8.3791 8.3791 9.0588 9.0588 9.3983 9.3983 10.1226 10.1226 k = 0.5484 0.1580-0.2104 ( 3765 PWs) bands (ev): -36.1173 -36.1173 -22.9546 -22.9546 -17.0847 -17.0847 -15.6582 -15.6582 -15.6291 -15.6291 -6.7634 -6.7634 -6.5154 -6.5154 -6.4183 -6.4183 -3.7331 -3.7331 -3.4918 -3.4918 3.7993 3.7993 4.2396 4.2396 5.0459 5.0459 5.3323 5.3323 5.7009 5.7009 6.1209 6.1209 8.4218 8.4218 9.0134 9.0134 9.3434 9.3434 10.1474 10.1474 k = 0.5443 0.1569-0.1856 ( 3764 PWs) bands (ev): -36.1174 -36.1174 -22.9548 -22.9548 -17.0841 -17.0841 -15.6579 -15.6579 -15.6278 -15.6278 -6.7648 -6.7648 -6.5135 -6.5135 -6.4152 -6.4152 -3.7449 -3.7449 -3.5012 -3.5012 3.7981 3.7981 4.2889 4.2889 5.0442 5.0442 5.3521 5.3521 5.7271 5.7271 6.1536 6.1536 8.4625 8.4625 8.9694 8.9694 9.2840 9.2840 10.1808 10.1808 k = 0.5403 0.1557-0.1607 ( 3768 PWs) bands (ev): -36.1175 -36.1175 -22.9551 -22.9551 -17.0836 -17.0836 -15.6577 -15.6577 -15.6265 -15.6265 -6.7662 -6.7662 -6.5116 -6.5116 -6.4120 -6.4120 -3.7560 -3.7560 -3.5099 -3.5099 3.7960 3.7960 4.3392 4.3392 5.0408 5.0408 5.3605 5.3605 5.7595 5.7595 6.1892 6.1892 8.5008 8.5008 8.9271 8.9271 9.2218 9.2218 10.2199 10.2199 k = 0.5363 0.1546-0.1359 ( 3770 PWs) bands (ev): -36.1175 -36.1175 -22.9553 -22.9553 -17.0831 -17.0831 -15.6575 -15.6575 -15.6253 -15.6253 -6.7677 -6.7677 -6.5099 -6.5099 -6.4090 -6.4090 -3.7662 -3.7662 -3.5179 -3.5179 3.7933 3.7933 4.3903 4.3903 5.0358 5.0358 5.3584 5.3584 5.7962 5.7962 6.2272 6.2272 8.5366 8.5366 8.8869 8.8869 9.1587 9.1587 10.2616 10.2616 k = 0.5322 0.1534-0.1110 ( 3778 PWs) bands (ev): -36.1176 -36.1176 -22.9556 -22.9556 -17.0826 -17.0826 -15.6574 -15.6574 -15.6242 -15.6242 -6.7691 -6.7691 -6.5083 -6.5083 -6.4061 -6.4061 -3.7754 -3.7754 -3.5253 -3.5253 3.7903 3.7903 4.4421 4.4421 5.0292 5.0292 5.3481 5.3481 5.8347 5.8347 6.2670 6.2670 8.5696 8.5696 8.8494 8.8494 9.0964 9.0964 10.3021 10.3021 k = 0.5282 0.1522-0.0862 ( 3779 PWs) bands (ev): -36.1177 -36.1177 -22.9558 -22.9558 -17.0822 -17.0822 -15.6573 -15.6573 -15.6232 -15.6232 -6.7704 -6.7704 -6.5070 -6.5070 -6.4034 -6.4034 -3.7837 -3.7837 -3.5319 -3.5319 3.7872 3.7872 4.4941 4.4941 5.0207 5.0207 5.3321 5.3321 5.8724 5.8724 6.3077 6.3077 8.5996 8.5996 8.8149 8.8149 9.0364 9.0364 10.3367 10.3367 k = 0.5242 0.1511-0.0613 ( 3779 PWs) bands (ev): -36.1178 -36.1178 -22.9559 -22.9559 -17.0819 -17.0819 -15.6572 -15.6572 -15.6223 -15.6223 -6.7717 -6.7717 -6.5057 -6.5057 -6.4010 -6.4010 -3.7909 -3.7909 -3.5377 -3.5377 3.7841 3.7841 4.5461 4.5461 5.0097 5.0097 5.3126 5.3126 5.9073 5.9073 6.3480 6.3480 8.6261 8.6261 8.7838 8.7838 8.9806 8.9806 10.3609 10.3609 k = 0.5202 0.1499-0.0365 ( 3780 PWs) bands (ev): -36.1178 -36.1178 -22.9561 -22.9561 -17.0816 -17.0816 -15.6571 -15.6571 -15.6215 -15.6215 -6.7727 -6.7727 -6.5047 -6.5047 -6.3988 -6.3988 -3.7971 -3.7971 -3.5427 -3.5427 3.7812 3.7812 4.5976 4.5976 4.9956 4.9956 5.2919 5.2919 5.9380 5.9380 6.3865 6.3865 8.6486 8.6486 8.7565 8.7565 8.9309 8.9309 10.3721 10.3721 k = 0.5161 0.1488-0.0116 ( 3778 PWs) bands (ev): -36.1179 -36.1179 -22.9562 -22.9562 -17.0813 -17.0813 -15.6571 -15.6571 -15.6209 -15.6209 -6.7737 -6.7737 -6.5039 -6.5039 -6.3970 -6.3970 -3.8022 -3.8022 -3.5468 -3.5468 3.7787 3.7787 4.6479 4.6479 4.9780 4.9780 5.2720 5.2720 5.9637 5.9637 6.4214 6.4214 8.6663 8.6663 8.7335 8.7335 8.8891 8.8891 10.3717 10.3717 k = 0.5121 0.1476 0.0133 ( 3784 PWs) bands (ev): -36.1179 -36.1179 -22.9563 -22.9563 -17.0811 -17.0811 -15.6570 -15.6570 -15.6204 -15.6204 -6.7744 -6.7744 -6.5032 -6.5032 -6.3956 -6.3956 -3.8062 -3.8062 -3.5501 -3.5501 3.7767 3.7767 4.6963 4.6963 4.9563 4.9563 5.2548 5.2548 5.9840 5.9840 6.4510 6.4510 8.6786 8.6786 8.7151 8.7151 8.8567 8.8567 10.3642 10.3642 k = 0.5081 0.1464 0.0381 ( 3789 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0810 -17.0810 -15.6570 -15.6570 -15.6200 -15.6200 -6.7749 -6.7749 -6.5027 -6.5027 -6.3945 -6.3945 -3.8091 -3.8091 -3.5524 -3.5524 3.7752 3.7752 4.7411 4.7411 4.9313 4.9313 5.2416 5.2416 5.9986 5.9986 6.4735 6.4735 8.6850 8.6850 8.7021 8.7021 8.8348 8.8348 10.3550 10.3550 k = 0.5040 0.1453 0.0630 ( 3790 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6198 -15.6198 -6.7753 -6.7753 -6.5025 -6.5025 -6.3939 -6.3939 -3.8108 -3.8108 -3.5539 -3.5539 3.7743 3.7743 4.7781 4.7781 4.9063 4.9063 5.2334 5.2334 6.0074 6.0074 6.4876 6.4876 8.6858 8.6858 8.6960 8.6960 8.8228 8.8228 10.3479 10.3479 k = 0.5000 0.1441 0.0878 ( 3790 PWs) bands (ev): -36.1179 -36.1179 -22.9564 -22.9564 -17.0809 -17.0809 -15.6570 -15.6570 -15.6197 -15.6197 -6.7754 -6.7754 -6.5024 -6.5024 -6.3937 -6.3937 -3.8114 -3.8114 -3.5543 -3.5543 3.7739 3.7739 4.7951 4.7951 4.8934 4.8934 5.2306 5.2306 6.0104 6.0104 6.4924 6.4924 8.6847 8.6847 8.6948 8.6948 8.8191 8.8191 10.3453 10.3453 k = 0.5000-0.7953-0.4846 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6449 -15.6449 -6.7973 -6.7973 -6.5463 -6.5463 -6.4470 -6.4470 -3.3266 -3.3266 -3.2931 -3.2931 3.2303 3.2303 3.7877 3.7877 4.6395 4.6395 4.8646 4.8646 5.0985 5.0985 5.5355 5.5355 8.0300 8.0300 9.9250 9.9250 9.9820 9.9820 10.3390 10.3390 k = 0.5210-0.7857-0.4788 ( 3748 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1009 -17.1009 -15.6845 -15.6845 -15.6449 -15.6449 -6.7973 -6.7973 -6.5463 -6.5463 -6.4470 -6.4470 -3.3305 -3.3305 -3.2892 -3.2892 3.2276 3.2276 3.7888 3.7888 4.6399 4.6399 4.8673 4.8673 5.0982 5.0982 5.5367 5.5367 8.0271 8.0271 9.9248 9.9248 9.9817 9.9817 10.3418 10.3418 k = 0.5419-0.7761-0.4729 ( 3744 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7972 -6.7972 -6.5463 -6.5463 -6.4470 -6.4470 -3.3391 -3.3391 -3.2806 -3.2806 3.2197 3.2197 3.7920 3.7920 4.6411 4.6411 4.8755 4.8755 5.0973 5.0973 5.5401 5.5401 8.0186 8.0186 9.9242 9.9242 9.9810 9.9810 10.3502 10.3502 k = 0.5629-0.7665-0.4671 ( 3745 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7972 -6.7972 -6.5462 -6.5462 -6.4470 -6.4470 -3.3494 -3.3494 -3.2703 -3.2703 3.2071 3.2071 3.7968 3.7968 4.6431 4.6431 4.8887 4.8887 5.0959 5.0959 5.5457 5.5457 8.0047 8.0047 9.9233 9.9233 9.9798 9.9798 10.3637 10.3637 k = 0.5838-0.7569-0.4612 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7970 -6.7970 -6.5462 -6.5462 -6.4470 -6.4470 -3.3601 -3.3601 -3.2596 -3.2596 3.1906 3.1906 3.8029 3.8029 4.6458 4.6458 4.9068 4.9068 5.0941 5.0941 5.5534 5.5534 7.9857 7.9857 9.9221 9.9221 9.9781 9.9781 10.3816 10.3816 k = 0.6048-0.7473-0.4554 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7969 -6.7969 -6.5461 -6.5461 -6.4470 -6.4470 -3.3708 -3.3708 -3.2488 -3.2488 3.1708 3.1708 3.8097 3.8097 4.6493 4.6493 4.9290 4.9290 5.0922 5.0922 5.5630 5.5630 7.9622 7.9622 9.9205 9.9205 9.9760 9.9760 10.4029 10.4029 k = 0.6257-0.7377-0.4495 ( 3744 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7967 -6.7967 -6.5460 -6.5460 -6.4470 -6.4470 -3.3813 -3.3813 -3.2383 -3.2383 3.1488 3.1488 3.8168 3.8168 4.6533 4.6533 4.9549 4.9549 5.0902 5.0902 5.5745 5.5745 7.9347 7.9347 9.9186 9.9186 9.9735 9.9735 10.4266 10.4266 k = 0.6467-0.7281-0.4437 ( 3750 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6845 -15.6845 -15.6449 -15.6449 -6.7965 -6.7965 -6.5460 -6.5460 -6.4470 -6.4470 -3.3914 -3.3914 -3.2282 -3.2282 3.1252 3.1252 3.8237 3.8237 4.6579 4.6579 4.9835 4.9835 5.0885 5.0885 5.5876 5.5876 7.9038 7.9038 9.9164 9.9164 9.9705 9.9705 10.4516 10.4516 k = 0.6677-0.7185-0.4378 ( 3748 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7963 -6.7963 -6.5459 -6.5459 -6.4470 -6.4470 -3.4011 -3.4011 -3.2185 -3.2185 3.1009 3.1009 3.8303 3.8303 4.6629 4.6629 5.0139 5.0139 5.0875 5.0875 5.6021 5.6021 7.8704 7.8704 9.9140 9.9140 9.9672 9.9672 10.4765 10.4765 k = 0.6886-0.7089-0.4320 ( 3748 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7961 -6.7961 -6.5458 -6.5458 -6.4470 -6.4470 -3.4103 -3.4103 -3.2095 -3.2095 3.0764 3.0764 3.8364 3.8364 4.6681 4.6681 5.0443 5.0443 5.0881 5.0881 5.6180 5.6180 7.8350 7.8350 9.9113 9.9113 9.9636 9.9636 10.5002 10.5002 k = 0.7096-0.6993-0.4261 ( 3746 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7958 -6.7958 -6.5457 -6.5457 -6.4470 -6.4470 -3.4189 -3.4189 -3.2011 -3.2011 3.0524 3.0524 3.8419 3.8419 4.6735 4.6735 5.0688 5.0688 5.0957 5.0957 5.6349 5.6349 7.7985 7.7985 9.9085 9.9085 9.9598 9.9598 10.5218 10.5218 k = 0.7305-0.6897-0.4202 ( 3747 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6844 -15.6844 -15.6449 -15.6449 -6.7956 -6.7956 -6.5456 -6.5456 -6.4470 -6.4470 -3.4268 -3.4268 -3.1934 -3.1934 3.0293 3.0293 3.8469 3.8469 4.6789 4.6789 5.0773 5.0773 5.1193 5.1193 5.6528 5.6528 7.7615 7.7615 9.9055 9.9055 9.9557 9.9557 10.5404 10.5404 k = 0.7515-0.6801-0.4144 ( 3741 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1008 -17.1008 -15.6843 -15.6843 -15.6449 -15.6449 -6.7953 -6.7953 -6.5455 -6.5455 -6.4470 -6.4470 -3.4340 -3.4340 -3.1865 -3.1865 3.0075 3.0075 3.8513 3.8513 4.6843 4.6843 5.0797 5.0797 5.1485 5.1485 5.6712 5.6712 7.7248 7.7248 9.9024 9.9024 9.9515 9.9515 10.5556 10.5556 k = 0.7724-0.6704-0.4085 ( 3742 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6843 -15.6843 -15.6449 -15.6449 -6.7950 -6.7950 -6.5453 -6.5453 -6.4470 -6.4470 -3.4404 -3.4404 -3.1805 -3.1805 2.9875 2.9875 3.8552 3.8552 4.6895 4.6895 5.0813 5.0813 5.1768 5.1768 5.6897 5.6897 7.6893 7.6893 9.8992 9.8992 9.9474 9.9474 10.5671 10.5671 k = 0.7934-0.6608-0.4027 ( 3748 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6842 -15.6842 -15.6449 -15.6449 -6.7948 -6.7948 -6.5452 -6.5452 -6.4470 -6.4470 -3.4460 -3.4460 -3.1754 -3.1754 2.9693 2.9693 3.8588 3.8588 4.6945 4.6945 5.0832 5.0832 5.2029 5.2029 5.7080 5.7080 7.6558 7.6558 9.8960 9.8960 9.9433 9.9433 10.5751 10.5751 k = 0.8143-0.6512-0.3968 ( 3750 PWs) bands (ev): -36.1146 -36.1146 -22.9471 -22.9471 -17.1007 -17.1007 -15.6842 -15.6842 -15.6449 -15.6449 -6.7945 -6.7945 -6.5452 -6.5452 -6.4470 -6.4470 -3.4508 -3.4508 -3.1713 -3.1713 2.9534 2.9534 3.8622 3.8622 4.6992 4.6992 5.0854 5.0854 5.2259 5.2259 5.7254 5.7254 7.6251 7.6251 9.8929 9.8929 9.9394 9.9394 10.5799 10.5799 Writing output data file KYTe2.save init_run : 0.44s CPU 0.60s WALL ( 1 calls) electrons : 160.53s CPU 162.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 160.52s CPU 162.34s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 279 calls) cegterg : 142.17s CPU 143.64s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 110.16s CPU 111.32s WALL ( 6208 calls) s_psi : 3.42s CPU 3.41s WALL ( 6208 calls) g_psi : 0.12s CPU 0.13s WALL ( 5539 calls) cdiaghg : 33.79s CPU 34.25s WALL ( 5818 calls) cegterg:over : 3.12s CPU 3.14s WALL ( 5539 calls) cegterg:upda : 3.11s CPU 3.10s WALL ( 5539 calls) cegterg:last : 1.31s CPU 1.28s WALL ( 954 calls) cdiaghg:chol : 1.84s CPU 1.95s WALL ( 5818 calls) cdiaghg:inve : 1.04s CPU 1.12s WALL ( 5818 calls) cdiaghg:para : 1.94s CPU 1.96s WALL ( 11636 calls) Called by h_psi: h_psi:vloc : 102.66s CPU 103.56s WALL ( 6208 calls) h_psi:vnl : 7.39s CPU 7.64s WALL ( 6208 calls) add_vuspsi : 4.14s CPU 3.96s WALL ( 6208 calls) General routines calbec : 3.22s CPU 3.66s WALL ( 6208 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.16s CPU 95.10s WALL ( 527184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 558 calls) Parallel routines fft_scatter : 22.34s CPU 22.44s WALL ( 527207 calls) PWSCF : 2m52.89s CPU 3m11.33s WALL This run was terminated on: 19:47: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=