Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:23:41 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: ./Sr2IN.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 78 42 12 1943 776 126 Max 79 43 13 1946 795 128 Sum 2843 1545 461 70013 28297 4569 bravais-lattice index = 14 lattice parameter (alat) = 15.1656 a.u. unit-cell volume = 720.3679 (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 = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.165641 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.875483 celldm(5)= 0.875483 celldm(6)= 0.875483 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.875483 0.483249 0.000000 ) a(3) = ( 0.875483 0.225583 0.427367 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.811658 -1.092279 ) b(2) = ( 0.000000 2.069325 -1.092279 ) b(3) = ( 0.000000 0.000000 2.339910 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 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= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 -0.0196919 -0.0118726), wk = 0.0033333 k( 3) = ( 0.0217391 -0.0393839 -0.0237452), wk = 0.0033333 k( 4) = ( 0.0326087 -0.0590758 -0.0356178), wk = 0.0033333 k( 5) = ( 0.0434783 -0.0787678 -0.0474904), wk = 0.0033333 k( 6) = ( 0.0543478 -0.0984597 -0.0593630), wk = 0.0033333 k( 7) = ( 0.0652174 -0.1181516 -0.0712356), wk = 0.0033333 k( 8) = ( 0.0760870 -0.1378436 -0.0831082), wk = 0.0033333 k( 9) = ( 0.0869565 -0.1575355 -0.0949808), wk = 0.0033333 k( 10) = ( 0.0978261 -0.1772275 -0.1068534), wk = 0.0033333 k( 11) = ( 0.1086957 -0.1969194 -0.1187260), wk = 0.0033333 k( 12) = ( 0.1195652 -0.2166113 -0.1305986), wk = 0.0033333 k( 13) = ( 0.1304348 -0.2363033 -0.1424712), wk = 0.0033333 k( 14) = ( 0.1413043 -0.2559952 -0.1543438), wk = 0.0033333 k( 15) = ( 0.1521739 -0.2756871 -0.1662164), wk = 0.0033333 k( 16) = ( 0.1630435 -0.2953791 -0.1780890), wk = 0.0033333 k( 17) = ( 0.1739130 -0.3150710 -0.1899616), wk = 0.0033333 k( 18) = ( 0.1847826 -0.3347630 -0.2018342), wk = 0.0033333 k( 19) = ( 0.1956522 -0.3544549 -0.2137068), wk = 0.0033333 k( 20) = ( 0.2065217 -0.3741468 -0.2255794), wk = 0.0033333 k( 21) = ( 0.2173913 -0.3938388 -0.2374520), wk = 0.0033333 k( 22) = ( 0.2282609 -0.4135307 -0.2493246), wk = 0.0033333 k( 23) = ( 0.2391304 -0.4332226 -0.2611972), wk = 0.0033333 k( 24) = ( 0.2500000 -0.4529146 -0.2730698), wk = 0.0033333 k( 25) = ( 0.2608696 -0.4726065 -0.2849425), wk = 0.0033333 k( 26) = ( 0.2717391 -0.4922985 -0.2968150), wk = 0.0033333 k( 27) = ( 0.2826087 -0.5119904 -0.3086877), wk = 0.0033333 k( 28) = ( 0.2934783 -0.5316823 -0.3205603), wk = 0.0033333 k( 29) = ( 0.3043478 -0.5513743 -0.3324329), wk = 0.0033333 k( 30) = ( 0.3152174 -0.5710662 -0.3443055), wk = 0.0033333 k( 31) = ( 0.3260870 -0.5907582 -0.3561781), wk = 0.0033333 k( 32) = ( 0.3369565 -0.6104501 -0.3680507), wk = 0.0033333 k( 33) = ( 0.3478261 -0.6301420 -0.3799233), wk = 0.0033333 k( 34) = ( 0.3586956 -0.6498340 -0.3917959), wk = 0.0033333 k( 35) = ( 0.3695652 -0.6695259 -0.4036685), wk = 0.0033333 k( 36) = ( 0.3804348 -0.6892179 -0.4155411), wk = 0.0033333 k( 37) = ( 0.3913044 -0.7089098 -0.4274137), wk = 0.0033333 k( 38) = ( 0.4021739 -0.7286017 -0.4392863), wk = 0.0033333 k( 39) = ( 0.4130435 -0.7482937 -0.4511589), wk = 0.0033333 k( 40) = ( 0.4239130 -0.7679856 -0.4630315), wk = 0.0033333 k( 41) = ( 0.4347826 -0.7876776 -0.4749041), wk = 0.0033333 k( 42) = ( 0.4456522 -0.8073695 -0.4867767), wk = 0.0033333 k( 43) = ( 0.4565217 -0.8270614 -0.4986493), wk = 0.0033333 k( 44) = ( 0.4673913 -0.8467534 -0.5105219), wk = 0.0033333 k( 45) = ( 0.4782609 -0.8664453 -0.5223945), wk = 0.0033333 k( 46) = ( 0.4891304 -0.8861372 -0.5342671), wk = 0.0033333 k( 47) = ( 0.5000000 -0.9058292 -0.5461397), wk = 0.0033333 k( 48) = ( 0.5000000 -0.9058292 -0.5461397), wk = 0.0033333 k( 49) = ( 0.5000000 -0.8928599 -0.5676506), wk = 0.0033333 k( 50) = ( 0.5000000 -0.8798907 -0.5891614), wk = 0.0033333 k( 51) = ( 0.5000000 -0.8669214 -0.6106723), wk = 0.0033333 k( 52) = ( 0.5000000 -0.8539521 -0.6321832), wk = 0.0033333 k( 53) = ( 0.5000000 -0.8409828 -0.6536941), wk = 0.0033333 k( 54) = ( 0.5000000 -0.8280136 -0.6752050), wk = 0.0033333 k( 55) = ( 0.5000000 -0.8150443 -0.6967158), wk = 0.0033333 k( 56) = ( 0.5000000 -0.8020750 -0.7182267), wk = 0.0033333 k( 57) = ( 0.5000000 -0.7891057 -0.7397376), wk = 0.0033333 k( 58) = ( 0.5000000 -0.7761365 -0.7612485), wk = 0.0033333 k( 59) = ( 0.5000000 -0.7631672 -0.7827593), wk = 0.0033333 k( 60) = ( 0.5000000 -0.7501979 -0.8042702), wk = 0.0033333 k( 61) = ( 0.5000000 -0.7372287 -0.8257811), wk = 0.0033333 k( 62) = ( 0.5000000 -0.7242594 -0.8472920), wk = 0.0033333 k( 63) = ( 0.5000000 -0.7112901 -0.8688029), wk = 0.0033333 k( 64) = ( 0.5000000 -0.6983209 -0.8903137), wk = 0.0033333 k( 65) = ( 0.5000000 -0.6853516 -0.9118246), wk = 0.0033333 k( 66) = ( 0.5000000 -0.6723823 -0.9333355), wk = 0.0033333 k( 67) = ( 0.5000000 -0.6594130 -0.9548464), wk = 0.0033333 k( 68) = ( 0.5000000 -0.6464438 -0.9763573), wk = 0.0033333 k( 69) = ( 0.5000000 -0.6334745 -0.9978681), wk = 0.0033333 k( 70) = ( 0.5000000 -0.6205052 -1.0193790), wk = 0.0033333 k( 71) = ( 0.5000000 -0.6075359 -1.0408899), wk = 0.0033333 k( 72) = ( 0.5000000 -0.5945667 -1.0624008), wk = 0.0033333 k( 73) = ( 0.5000000 -0.5815974 -1.0839116), wk = 0.0033333 k( 74) = ( 0.5000000 -0.5686281 -1.1054225), wk = 0.0033333 k( 75) = ( 0.5000000 -0.5556589 -1.1269334), wk = 0.0033333 k( 76) = ( 0.5000000 -0.5426896 -1.1484443), wk = 0.0033333 k( 77) = ( 0.5000000 -0.5297203 -1.1699552), wk = 0.0033333 k( 78) = ( 0.8182456 -0.4477190 -1.0146036), wk = 0.0033333 k( 79) = ( 0.8118807 -0.4361880 -0.9927580), wk = 0.0033333 k( 80) = ( 0.8055158 -0.4246569 -0.9709124), wk = 0.0033333 k( 81) = ( 0.7991509 -0.4131259 -0.9490668), wk = 0.0033333 k( 82) = ( 0.7927860 -0.4015948 -0.9272212), wk = 0.0033333 k( 83) = ( 0.7864211 -0.3900638 -0.9053757), wk = 0.0033333 k( 84) = ( 0.7800562 -0.3785328 -0.8835301), wk = 0.0033333 k( 85) = ( 0.7736912 -0.3670017 -0.8616845), wk = 0.0033333 k( 86) = ( 0.7673263 -0.3554707 -0.8398389), wk = 0.0033333 k( 87) = ( 0.7609614 -0.3439396 -0.8179933), wk = 0.0033333 k( 88) = ( 0.7545965 -0.3324086 -0.7961477), wk = 0.0033333 k( 89) = ( 0.7482316 -0.3208775 -0.7743021), wk = 0.0033333 k( 90) = ( 0.7418667 -0.3093465 -0.7524565), wk = 0.0033333 k( 91) = ( 0.7355018 -0.2978154 -0.7306110), wk = 0.0033333 k( 92) = ( 0.7291368 -0.2862844 -0.7087654), wk = 0.0033333 k( 93) = ( 0.7227719 -0.2747533 -0.6869198), wk = 0.0033333 k( 94) = ( 0.7164070 -0.2632223 -0.6650742), wk = 0.0033333 k( 95) = ( 0.7100421 -0.2516912 -0.6432286), wk = 0.0033333 k( 96) = ( 0.7036772 -0.2401602 -0.6213830), wk = 0.0033333 k( 97) = ( 0.6973123 -0.2286291 -0.5995374), wk = 0.0033333 k( 98) = ( 0.6909474 -0.2170981 -0.5776918), wk = 0.0033333 k( 99) = ( 0.6845825 -0.2055671 -0.5558463), wk = 0.0033333 k( 100) = ( 0.6782175 -0.1940360 -0.5340007), wk = 0.0033333 k( 101) = ( 0.6718526 -0.1825049 -0.5121551), wk = 0.0033333 k( 102) = ( 0.6654877 -0.1709739 -0.4903095), wk = 0.0033333 k( 103) = ( 0.6591228 -0.1594429 -0.4684639), wk = 0.0033333 k( 104) = ( 0.6527579 -0.1479118 -0.4466183), wk = 0.0033333 k( 105) = ( 0.6463930 -0.1363808 -0.4247727), wk = 0.0033333 k( 106) = ( 0.6400281 -0.1248497 -0.4029271), wk = 0.0033333 k( 107) = ( 0.6336632 -0.1133187 -0.3810816), wk = 0.0033333 k( 108) = ( 0.6272982 -0.1017876 -0.3592360), wk = 0.0033333 k( 109) = ( 0.6209333 -0.0902566 -0.3373904), wk = 0.0033333 k( 110) = ( 0.6145684 -0.0787255 -0.3155448), wk = 0.0033333 k( 111) = ( 0.6082035 -0.0671945 -0.2936992), wk = 0.0033333 k( 112) = ( 0.6018386 -0.0556634 -0.2718536), wk = 0.0033333 k( 113) = ( 0.5954737 -0.0441324 -0.2500080), wk = 0.0033333 k( 114) = ( 0.5891088 -0.0326013 -0.2281625), wk = 0.0033333 k( 115) = ( 0.5827439 -0.0210703 -0.2063168), wk = 0.0033333 k( 116) = ( 0.5763789 -0.0095392 -0.1844713), wk = 0.0033333 k( 117) = ( 0.5700140 0.0019918 -0.1626257), wk = 0.0033333 k( 118) = ( 0.5636491 0.0135228 -0.1407801), wk = 0.0033333 k( 119) = ( 0.5572842 0.0250539 -0.1189345), wk = 0.0033333 k( 120) = ( 0.5509193 0.0365849 -0.0970889), wk = 0.0033333 k( 121) = ( 0.5445544 0.0481160 -0.0752433), wk = 0.0033333 k( 122) = ( 0.5381895 0.0596470 -0.0533978), wk = 0.0033333 k( 123) = ( 0.5318246 0.0711781 -0.0315521), wk = 0.0033333 k( 124) = ( 0.5254596 0.0827091 -0.0097066), wk = 0.0033333 k( 125) = ( 0.5190947 0.0942402 0.0121390), wk = 0.0033333 k( 126) = ( 0.5127298 0.1057712 0.0339846), wk = 0.0033333 k( 127) = ( 0.5063649 0.1173023 0.0558302), wk = 0.0033333 k( 128) = ( 0.5000000 0.1288333 0.0776758), wk = 0.0033333 k( 129) = ( 0.5000000 0.1288333 0.0776758), wk = 0.0033333 k( 130) = ( 0.4761905 0.1226984 0.0739769), wk = 0.0033333 k( 131) = ( 0.4523810 0.1165635 0.0702781), wk = 0.0033333 k( 132) = ( 0.4285714 0.1104286 0.0665792), wk = 0.0033333 k( 133) = ( 0.4047619 0.1042936 0.0628804), wk = 0.0033333 k( 134) = ( 0.3809524 0.0981587 0.0591815), wk = 0.0033333 k( 135) = ( 0.3571429 0.0920238 0.0554827), wk = 0.0033333 k( 136) = ( 0.3333333 0.0858889 0.0517839), wk = 0.0033333 k( 137) = ( 0.3095238 0.0797540 0.0480850), wk = 0.0033333 k( 138) = ( 0.2857143 0.0736190 0.0443862), wk = 0.0033333 k( 139) = ( 0.2619048 0.0674841 0.0406873), wk = 0.0033333 k( 140) = ( 0.2380952 0.0613492 0.0369885), wk = 0.0033333 k( 141) = ( 0.2142857 0.0552143 0.0332896), wk = 0.0033333 k( 142) = ( 0.1904762 0.0490794 0.0295908), wk = 0.0033333 k( 143) = ( 0.1666667 0.0429444 0.0258919), wk = 0.0033333 k( 144) = ( 0.1428571 0.0368095 0.0221931), wk = 0.0033333 k( 145) = ( 0.1190476 0.0306746 0.0184942), wk = 0.0033333 k( 146) = ( 0.0952381 0.0245397 0.0147954), wk = 0.0033333 k( 147) = ( 0.0714286 0.0184048 0.0110965), wk = 0.0033333 k( 148) = ( 0.0476191 0.0122698 0.0073977), wk = 0.0033333 k( 149) = ( 0.0238095 0.0061349 0.0036988), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 152) = ( 0.0063125 -0.0114362 -0.0216658), wk = 0.0033333 k( 153) = ( 0.0126251 -0.0228723 -0.0433317), wk = 0.0033333 k( 154) = ( 0.0189376 -0.0343085 -0.0649975), wk = 0.0033333 k( 155) = ( 0.0252502 -0.0457447 -0.0866633), wk = 0.0033333 k( 156) = ( 0.0315627 -0.0571808 -0.1083292), wk = 0.0033333 k( 157) = ( 0.0378752 -0.0686170 -0.1299950), wk = 0.0033333 k( 158) = ( 0.0441878 -0.0800532 -0.1516608), wk = 0.0033333 k( 159) = ( 0.0505003 -0.0914893 -0.1733267), wk = 0.0033333 k( 160) = ( 0.0568129 -0.1029255 -0.1949925), wk = 0.0033333 k( 161) = ( 0.0631254 -0.1143617 -0.2166583), wk = 0.0033333 k( 162) = ( 0.0694379 -0.1257978 -0.2383242), wk = 0.0033333 k( 163) = ( 0.0757505 -0.1372340 -0.2599901), wk = 0.0033333 k( 164) = ( 0.0820630 -0.1486702 -0.2816559), wk = 0.0033333 k( 165) = ( 0.0883756 -0.1601063 -0.3033217), wk = 0.0033333 k( 166) = ( 0.0946881 -0.1715425 -0.3249876), wk = 0.0033333 k( 167) = ( 0.1010006 -0.1829787 -0.3466534), wk = 0.0033333 k( 168) = ( 0.1073132 -0.1944148 -0.3683192), wk = 0.0033333 k( 169) = ( 0.1136257 -0.2058510 -0.3899851), wk = 0.0033333 k( 170) = ( 0.1199383 -0.2172872 -0.4116509), wk = 0.0033333 k( 171) = ( 0.1262508 -0.2287233 -0.4333167), wk = 0.0033333 k( 172) = ( 0.1325633 -0.2401595 -0.4549826), wk = 0.0033333 k( 173) = ( 0.1388759 -0.2515957 -0.4766484), wk = 0.0033333 k( 174) = ( 0.1451884 -0.2630318 -0.4983142), wk = 0.0033333 k( 175) = ( 0.1515010 -0.2744680 -0.5199801), wk = 0.0033333 k( 176) = ( 0.1578135 -0.2859042 -0.5416459), wk = 0.0033333 k( 177) = ( 0.1641260 -0.2973403 -0.5633117), wk = 0.0033333 k( 178) = ( 0.1704386 -0.3087765 -0.5849776), wk = 0.0033333 k( 179) = ( 0.1767511 -0.3202127 -0.6066434), wk = 0.0033333 k( 180) = ( 0.1830637 -0.3316488 -0.6283092), wk = 0.0033333 k( 181) = ( 0.1893762 -0.3430850 -0.6499751), wk = 0.0033333 k( 182) = ( 0.1956887 -0.3545212 -0.6716409), wk = 0.0033333 k( 183) = ( 0.2020013 -0.3659573 -0.6933067), wk = 0.0033333 k( 184) = ( 0.2083138 -0.3773935 -0.7149726), wk = 0.0033333 k( 185) = ( 0.2146264 -0.3888297 -0.7366384), wk = 0.0033333 k( 186) = ( 0.2209389 -0.4002658 -0.7583043), wk = 0.0033333 k( 187) = ( 0.2272515 -0.4117020 -0.7799701), wk = 0.0033333 k( 188) = ( 0.2335640 -0.4231382 -0.8016360), wk = 0.0033333 k( 189) = ( 0.2398765 -0.4345743 -0.8233018), wk = 0.0033333 k( 190) = ( 0.2461891 -0.4460105 -0.8449676), wk = 0.0033333 k( 191) = ( 0.2525016 -0.4574467 -0.8666335), wk = 0.0033333 k( 192) = ( 0.2588142 -0.4688828 -0.8882993), wk = 0.0033333 k( 193) = ( 0.2651267 -0.4803190 -0.9099651), wk = 0.0033333 k( 194) = ( 0.2714392 -0.4917552 -0.9316310), wk = 0.0033333 k( 195) = ( 0.2777518 -0.5031913 -0.9532968), wk = 0.0033333 k( 196) = ( 0.2840643 -0.5146275 -0.9749626), wk = 0.0033333 k( 197) = ( 0.2903769 -0.5260637 -0.9966285), wk = 0.0033333 k( 198) = ( 0.2966894 -0.5374998 -1.0182943), wk = 0.0033333 k( 199) = ( 0.3030019 -0.5489360 -1.0399601), wk = 0.0033333 k( 200) = ( 0.3093145 -0.5603722 -1.0616260), wk = 0.0033333 k( 201) = ( 0.3156270 -0.5718083 -1.0832918), wk = 0.0033333 k( 202) = ( 0.3219396 -0.5832445 -1.1049576), wk = 0.0033333 k( 203) = ( 0.3282521 -0.5946807 -1.1266235), wk = 0.0033333 k( 204) = ( 0.3345646 -0.6061168 -1.1482893), wk = 0.0033333 k( 205) = ( 0.3408772 -0.6175530 -1.1699551), wk = 0.0033333 k( 206) = ( 0.6591228 -0.4887197 -1.0922794), wk = 0.0033333 k( 207) = ( 0.6527579 -0.4640175 -1.0922794), wk = 0.0033333 k( 208) = ( 0.6463930 -0.4393154 -1.0922794), wk = 0.0033333 k( 209) = ( 0.6400281 -0.4146133 -1.0922794), wk = 0.0033333 k( 210) = ( 0.6336632 -0.3899112 -1.0922794), wk = 0.0033333 k( 211) = ( 0.6272982 -0.3652091 -1.0922794), wk = 0.0033333 k( 212) = ( 0.6209333 -0.3405070 -1.0922794), wk = 0.0033333 k( 213) = ( 0.6145684 -0.3158048 -1.0922794), wk = 0.0033333 k( 214) = ( 0.6082035 -0.2911027 -1.0922794), wk = 0.0033333 k( 215) = ( 0.6018386 -0.2664006 -1.0922794), wk = 0.0033333 k( 216) = ( 0.5954737 -0.2416985 -1.0922794), wk = 0.0033333 k( 217) = ( 0.5891088 -0.2169964 -1.0922794), wk = 0.0033333 k( 218) = ( 0.5827439 -0.1922942 -1.0922794), wk = 0.0033333 k( 219) = ( 0.5763789 -0.1675921 -1.0922794), wk = 0.0033333 k( 220) = ( 0.5700140 -0.1428900 -1.0922794), wk = 0.0033333 k( 221) = ( 0.5636491 -0.1181879 -1.0922794), wk = 0.0033333 k( 222) = ( 0.5572842 -0.0934857 -1.0922794), wk = 0.0033333 k( 223) = ( 0.5509193 -0.0687836 -1.0922794), wk = 0.0033333 k( 224) = ( 0.5445544 -0.0440815 -1.0922794), wk = 0.0033333 k( 225) = ( 0.5381895 -0.0193794 -1.0922794), wk = 0.0033333 k( 226) = ( 0.5318246 0.0053227 -1.0922794), wk = 0.0033333 k( 227) = ( 0.5254596 0.0300248 -1.0922794), wk = 0.0033333 k( 228) = ( 0.5190947 0.0547270 -1.0922794), wk = 0.0033333 k( 229) = ( 0.5127298 0.0794291 -1.0922794), wk = 0.0033333 k( 230) = ( 0.5063649 0.1041312 -1.0922794), wk = 0.0033333 k( 231) = ( 0.5000000 0.1288333 -1.0922794), wk = 0.0033333 k( 232) = ( 0.5000000 0.1288333 -1.0922794), wk = 0.0033333 k( 233) = ( 0.5198903 0.1339584 -1.0825699), wk = 0.0033333 k( 234) = ( 0.5397807 0.1390835 -1.0728604), wk = 0.0033333 k( 235) = ( 0.5596711 0.1442086 -1.0631510), wk = 0.0033333 k( 236) = ( 0.5795614 0.1493336 -1.0534415), wk = 0.0033333 k( 237) = ( 0.5994518 0.1544587 -1.0437320), wk = 0.0033333 k( 238) = ( 0.6193421 0.1595838 -1.0340225), wk = 0.0033333 k( 239) = ( 0.6392325 0.1647089 -1.0243131), wk = 0.0033333 k( 240) = ( 0.6591228 0.1698340 -1.0146036), wk = 0.0033333 k( 241) = ( 0.6591228 0.1698340 -1.0146036), wk = 0.0033333 k( 242) = ( 0.6555064 0.1689021 -0.9897791), wk = 0.0033333 k( 243) = ( 0.6518900 0.1679703 -0.9649545), wk = 0.0033333 k( 244) = ( 0.6482735 0.1670385 -0.9401300), wk = 0.0033333 k( 245) = ( 0.6446571 0.1661066 -0.9153055), wk = 0.0033333 k( 246) = ( 0.6410407 0.1651748 -0.8904809), wk = 0.0033333 k( 247) = ( 0.6374243 0.1642430 -0.8656564), wk = 0.0033333 k( 248) = ( 0.6338078 0.1633111 -0.8408319), wk = 0.0033333 k( 249) = ( 0.6301914 0.1623793 -0.8160073), wk = 0.0033333 k( 250) = ( 0.6265750 0.1614475 -0.7911828), wk = 0.0033333 k( 251) = ( 0.6229585 0.1605156 -0.7663583), wk = 0.0033333 k( 252) = ( 0.6193421 0.1595838 -0.7415337), wk = 0.0033333 k( 253) = ( 0.6157257 0.1586520 -0.7167092), wk = 0.0033333 k( 254) = ( 0.6121093 0.1577201 -0.6918847), wk = 0.0033333 k( 255) = ( 0.6084928 0.1567883 -0.6670602), wk = 0.0033333 k( 256) = ( 0.6048764 0.1558565 -0.6422356), wk = 0.0033333 k( 257) = ( 0.6012600 0.1549246 -0.6174111), wk = 0.0033333 k( 258) = ( 0.5976436 0.1539928 -0.5925866), wk = 0.0033333 k( 259) = ( 0.5940271 0.1530610 -0.5677620), wk = 0.0033333 k( 260) = ( 0.5904107 0.1521291 -0.5429375), wk = 0.0033333 k( 261) = ( 0.5867943 0.1511973 -0.5181130), wk = 0.0033333 k( 262) = ( 0.5831778 0.1502655 -0.4932884), wk = 0.0033333 k( 263) = ( 0.5795614 0.1493336 -0.4684639), wk = 0.0033333 k( 264) = ( 0.5759450 0.1484018 -0.4436394), wk = 0.0033333 k( 265) = ( 0.5723286 0.1474700 -0.4188148), wk = 0.0033333 k( 266) = ( 0.5687121 0.1465381 -0.3939903), wk = 0.0033333 k( 267) = ( 0.5650957 0.1456063 -0.3691658), wk = 0.0033333 k( 268) = ( 0.5614793 0.1446745 -0.3443412), wk = 0.0033333 k( 269) = ( 0.5578628 0.1437427 -0.3195167), wk = 0.0033333 k( 270) = ( 0.5542464 0.1428108 -0.2946922), wk = 0.0033333 k( 271) = ( 0.5506300 0.1418790 -0.2698677), wk = 0.0033333 k( 272) = ( 0.5470136 0.1409472 -0.2450431), wk = 0.0033333 k( 273) = ( 0.5433971 0.1400153 -0.2202186), wk = 0.0033333 k( 274) = ( 0.5397807 0.1390835 -0.1953941), wk = 0.0033333 k( 275) = ( 0.5361643 0.1381517 -0.1705695), wk = 0.0033333 k( 276) = ( 0.5325479 0.1372198 -0.1457450), wk = 0.0033333 k( 277) = ( 0.5289314 0.1362880 -0.1209205), wk = 0.0033333 k( 278) = ( 0.5253150 0.1353562 -0.0960959), wk = 0.0033333 k( 279) = ( 0.5216986 0.1344243 -0.0712714), wk = 0.0033333 k( 280) = ( 0.5180821 0.1334925 -0.0464469), wk = 0.0033333 k( 281) = ( 0.5144657 0.1325607 -0.0216223), wk = 0.0033333 k( 282) = ( 0.5108493 0.1316288 0.0032022), wk = 0.0033333 k( 283) = ( 0.5072329 0.1306970 0.0280267), wk = 0.0033333 k( 284) = ( 0.5036164 0.1297652 0.0528512), wk = 0.0033333 k( 285) = ( 0.5000000 0.1288333 0.0776758), wk = 0.0033333 k( 286) = ( 0.5000000 -0.9058292 -0.5461397), wk = 0.0033333 k( 287) = ( 0.5227318 -0.8966268 -0.5405914), wk = 0.0033333 k( 288) = ( 0.5454637 -0.8874244 -0.5350431), wk = 0.0033333 k( 289) = ( 0.5681955 -0.8782220 -0.5294949), wk = 0.0033333 k( 290) = ( 0.5909273 -0.8690197 -0.5239466), wk = 0.0033333 k( 291) = ( 0.6136592 -0.8598173 -0.5183983), wk = 0.0033333 k( 292) = ( 0.6363910 -0.8506149 -0.5128501), wk = 0.0033333 k( 293) = ( 0.6591228 -0.8414125 -0.5073018), wk = 0.0033333 k( 294) = ( 0.6818547 -0.8322102 -0.5017535), wk = 0.0033333 k( 295) = ( 0.7045865 -0.8230078 -0.4962053), wk = 0.0033333 k( 296) = ( 0.7273183 -0.8138054 -0.4906570), wk = 0.0033333 k( 297) = ( 0.7500501 -0.8046030 -0.4851087), wk = 0.0033333 k( 298) = ( 0.7727820 -0.7954006 -0.4795604), wk = 0.0033333 k( 299) = ( 0.7955138 -0.7861982 -0.4740122), wk = 0.0033333 k( 300) = ( 0.8182456 -0.7769959 -0.4684639), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0033333 k( 10) = ( 0.0978261 0.0000000 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1195652 -0.0000000 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0033333 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0033333 k( 19) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0033333 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0033333 k( 28) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3369565 0.0000000 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3478261 0.0000000 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0033333 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0033333 k( 36) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0033333 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0033333 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0033333 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0033333 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0033333 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4891304 -0.0000000 -0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 49) = ( 0.5000000 0.0062674 -0.0062674), wk = 0.0033333 k( 50) = ( 0.5000000 0.0125348 -0.0125348), wk = 0.0033333 k( 51) = ( 0.5000000 0.0188022 -0.0188022), wk = 0.0033333 k( 52) = ( 0.5000000 0.0250696 -0.0250696), wk = 0.0033333 k( 53) = ( 0.5000000 0.0313370 -0.0313370), wk = 0.0033333 k( 54) = ( 0.5000000 0.0376043 -0.0376044), wk = 0.0033333 k( 55) = ( 0.5000000 0.0438717 -0.0438717), wk = 0.0033333 k( 56) = ( 0.5000000 0.0501391 -0.0501391), wk = 0.0033333 k( 57) = ( 0.5000000 0.0564065 -0.0564065), wk = 0.0033333 k( 58) = ( 0.5000000 0.0626739 -0.0626739), wk = 0.0033333 k( 59) = ( 0.5000000 0.0689413 -0.0689413), wk = 0.0033333 k( 60) = ( 0.5000000 0.0752087 -0.0752087), wk = 0.0033333 k( 61) = ( 0.5000000 0.0814761 -0.0814761), wk = 0.0033333 k( 62) = ( 0.5000000 0.0877435 -0.0877435), wk = 0.0033333 k( 63) = ( 0.5000000 0.0940109 -0.0940109), wk = 0.0033333 k( 64) = ( 0.5000000 0.1002783 -0.1002783), wk = 0.0033333 k( 65) = ( 0.5000000 0.1065457 -0.1065457), wk = 0.0033333 k( 66) = ( 0.5000000 0.1128131 -0.1128131), wk = 0.0033333 k( 67) = ( 0.5000000 0.1190804 -0.1190805), wk = 0.0033333 k( 68) = ( 0.5000000 0.1253478 -0.1253478), wk = 0.0033333 k( 69) = ( 0.5000000 0.1316152 -0.1316152), wk = 0.0033333 k( 70) = ( 0.5000000 0.1378826 -0.1378826), wk = 0.0033333 k( 71) = ( 0.5000000 0.1441500 -0.1441500), wk = 0.0033333 k( 72) = ( 0.5000000 0.1504174 -0.1504174), wk = 0.0033333 k( 73) = ( 0.5000000 0.1566848 -0.1566848), wk = 0.0033333 k( 74) = ( 0.5000000 0.1629522 -0.1629522), wk = 0.0033333 k( 75) = ( 0.5000000 0.1692196 -0.1692196), wk = 0.0033333 k( 76) = ( 0.5000000 0.1754870 -0.1754870), wk = 0.0033333 k( 77) = ( 0.5000000 0.1817544 -0.1817544), wk = 0.0033333 k( 78) = ( 0.8182456 0.5000000 0.1817544), wk = 0.0033333 k( 79) = ( 0.8118807 0.5000000 0.1881193), wk = 0.0033333 k( 80) = ( 0.8055158 0.5000000 0.1944842), wk = 0.0033333 k( 81) = ( 0.7991509 0.5000000 0.2008491), wk = 0.0033333 k( 82) = ( 0.7927860 0.5000000 0.2072140), wk = 0.0033333 k( 83) = ( 0.7864211 0.5000000 0.2135789), wk = 0.0033333 k( 84) = ( 0.7800562 0.5000000 0.2199438), wk = 0.0033333 k( 85) = ( 0.7736912 0.5000000 0.2263088), wk = 0.0033333 k( 86) = ( 0.7673263 0.5000000 0.2326737), wk = 0.0033333 k( 87) = ( 0.7609614 0.5000000 0.2390386), wk = 0.0033333 k( 88) = ( 0.7545965 0.5000000 0.2454035), wk = 0.0033333 k( 89) = ( 0.7482316 0.5000000 0.2517684), wk = 0.0033333 k( 90) = ( 0.7418667 0.5000000 0.2581333), wk = 0.0033333 k( 91) = ( 0.7355018 0.5000000 0.2644982), wk = 0.0033333 k( 92) = ( 0.7291368 0.5000000 0.2708631), wk = 0.0033333 k( 93) = ( 0.7227719 0.5000000 0.2772281), wk = 0.0033333 k( 94) = ( 0.7164070 0.5000000 0.2835930), wk = 0.0033333 k( 95) = ( 0.7100421 0.5000000 0.2899579), wk = 0.0033333 k( 96) = ( 0.7036772 0.5000000 0.2963228), wk = 0.0033333 k( 97) = ( 0.6973123 0.5000000 0.3026877), wk = 0.0033333 k( 98) = ( 0.6909474 0.5000000 0.3090526), wk = 0.0033333 k( 99) = ( 0.6845825 0.5000000 0.3154175), wk = 0.0033333 k( 100) = ( 0.6782175 0.5000000 0.3217824), wk = 0.0033333 k( 101) = ( 0.6718526 0.5000000 0.3281474), wk = 0.0033333 k( 102) = ( 0.6654877 0.5000000 0.3345123), wk = 0.0033333 k( 103) = ( 0.6591228 0.5000000 0.3408772), wk = 0.0033333 k( 104) = ( 0.6527579 0.5000000 0.3472421), wk = 0.0033333 k( 105) = ( 0.6463930 0.5000000 0.3536070), wk = 0.0033333 k( 106) = ( 0.6400281 0.5000000 0.3599719), wk = 0.0033333 k( 107) = ( 0.6336632 0.5000000 0.3663368), wk = 0.0033333 k( 108) = ( 0.6272982 0.5000000 0.3727017), wk = 0.0033333 k( 109) = ( 0.6209333 0.5000000 0.3790667), wk = 0.0033333 k( 110) = ( 0.6145684 0.5000000 0.3854316), wk = 0.0033333 k( 111) = ( 0.6082035 0.5000000 0.3917965), wk = 0.0033333 k( 112) = ( 0.6018386 0.5000000 0.3981614), wk = 0.0033333 k( 113) = ( 0.5954737 0.5000000 0.4045263), wk = 0.0033333 k( 114) = ( 0.5891088 0.5000000 0.4108912), wk = 0.0033333 k( 115) = ( 0.5827439 0.5000000 0.4172561), wk = 0.0033333 k( 116) = ( 0.5763789 0.5000000 0.4236210), wk = 0.0033333 k( 117) = ( 0.5700140 0.5000000 0.4299860), wk = 0.0033333 k( 118) = ( 0.5636491 0.5000000 0.4363509), wk = 0.0033333 k( 119) = ( 0.5572842 0.5000000 0.4427158), wk = 0.0033333 k( 120) = ( 0.5509193 0.5000000 0.4490807), wk = 0.0033333 k( 121) = ( 0.5445544 0.5000000 0.4554456), wk = 0.0033333 k( 122) = ( 0.5381895 0.5000000 0.4618105), wk = 0.0033333 k( 123) = ( 0.5318246 0.5000000 0.4681754), wk = 0.0033333 k( 124) = ( 0.5254596 0.5000000 0.4745403), wk = 0.0033333 k( 125) = ( 0.5190947 0.5000000 0.4809053), wk = 0.0033333 k( 126) = ( 0.5127298 0.5000000 0.4872702), wk = 0.0033333 k( 127) = ( 0.5063649 0.5000000 0.4936351), wk = 0.0033333 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 130) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0033333 k( 131) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0033333 k( 132) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0033333 k( 133) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0033333 k( 134) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0033333 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0033333 k( 136) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033333 k( 137) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0033333 k( 138) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0033333 k( 139) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0033333 k( 140) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0033333 k( 141) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0033333 k( 142) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0033333 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033333 k( 144) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0033333 k( 145) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0033333 k( 146) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0033333 k( 147) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0033333 k( 148) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0033333 k( 149) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 152) = ( 0.0063125 -0.0000000 -0.0063125), wk = 0.0033333 k( 153) = ( 0.0126251 -0.0000000 -0.0126251), wk = 0.0033333 k( 154) = ( 0.0189376 -0.0000000 -0.0189376), wk = 0.0033333 k( 155) = ( 0.0252502 -0.0000000 -0.0252502), wk = 0.0033333 k( 156) = ( 0.0315627 -0.0000000 -0.0315627), wk = 0.0033333 k( 157) = ( 0.0378752 -0.0000000 -0.0378752), wk = 0.0033333 k( 158) = ( 0.0441878 -0.0000000 -0.0441878), wk = 0.0033333 k( 159) = ( 0.0505003 -0.0000000 -0.0505003), wk = 0.0033333 k( 160) = ( 0.0568129 0.0000000 -0.0568129), wk = 0.0033333 k( 161) = ( 0.0631254 -0.0000000 -0.0631254), wk = 0.0033333 k( 162) = ( 0.0694379 -0.0000000 -0.0694379), wk = 0.0033333 k( 163) = ( 0.0757505 -0.0000000 -0.0757505), wk = 0.0033333 k( 164) = ( 0.0820630 0.0000000 -0.0820630), wk = 0.0033333 k( 165) = ( 0.0883756 -0.0000000 -0.0883756), wk = 0.0033333 k( 166) = ( 0.0946881 -0.0000000 -0.0946881), wk = 0.0033333 k( 167) = ( 0.1010006 -0.0000000 -0.1010007), wk = 0.0033333 k( 168) = ( 0.1073132 -0.0000000 -0.1073132), wk = 0.0033333 k( 169) = ( 0.1136257 -0.0000000 -0.1136257), wk = 0.0033333 k( 170) = ( 0.1199383 -0.0000000 -0.1199383), wk = 0.0033333 k( 171) = ( 0.1262508 -0.0000000 -0.1262508), wk = 0.0033333 k( 172) = ( 0.1325633 -0.0000000 -0.1325634), wk = 0.0033333 k( 173) = ( 0.1388759 -0.0000000 -0.1388759), wk = 0.0033333 k( 174) = ( 0.1451884 -0.0000000 -0.1451884), wk = 0.0033333 k( 175) = ( 0.1515010 -0.0000000 -0.1515010), wk = 0.0033333 k( 176) = ( 0.1578135 -0.0000000 -0.1578135), wk = 0.0033333 k( 177) = ( 0.1641260 -0.0000000 -0.1641261), wk = 0.0033333 k( 178) = ( 0.1704386 -0.0000000 -0.1704386), wk = 0.0033333 k( 179) = ( 0.1767511 -0.0000000 -0.1767511), wk = 0.0033333 k( 180) = ( 0.1830637 -0.0000000 -0.1830637), wk = 0.0033333 k( 181) = ( 0.1893762 -0.0000000 -0.1893762), wk = 0.0033333 k( 182) = ( 0.1956887 0.0000000 -0.1956888), wk = 0.0033333 k( 183) = ( 0.2020013 -0.0000000 -0.2020013), wk = 0.0033333 k( 184) = ( 0.2083138 -0.0000000 -0.2083138), wk = 0.0033333 k( 185) = ( 0.2146264 -0.0000000 -0.2146264), wk = 0.0033333 k( 186) = ( 0.2209389 -0.0000000 -0.2209389), wk = 0.0033333 k( 187) = ( 0.2272515 -0.0000000 -0.2272515), wk = 0.0033333 k( 188) = ( 0.2335640 -0.0000000 -0.2335640), wk = 0.0033333 k( 189) = ( 0.2398765 -0.0000000 -0.2398765), wk = 0.0033333 k( 190) = ( 0.2461891 -0.0000000 -0.2461891), wk = 0.0033333 k( 191) = ( 0.2525016 -0.0000000 -0.2525016), wk = 0.0033333 k( 192) = ( 0.2588142 -0.0000000 -0.2588142), wk = 0.0033333 k( 193) = ( 0.2651267 -0.0000000 -0.2651267), wk = 0.0033333 k( 194) = ( 0.2714392 -0.0000000 -0.2714392), wk = 0.0033333 k( 195) = ( 0.2777518 -0.0000000 -0.2777518), wk = 0.0033333 k( 196) = ( 0.2840643 -0.0000000 -0.2840643), wk = 0.0033333 k( 197) = ( 0.2903769 -0.0000000 -0.2903769), wk = 0.0033333 k( 198) = ( 0.2966894 0.0000000 -0.2966894), wk = 0.0033333 k( 199) = ( 0.3030019 -0.0000000 -0.3030019), wk = 0.0033333 k( 200) = ( 0.3093145 -0.0000000 -0.3093145), wk = 0.0033333 k( 201) = ( 0.3156270 -0.0000000 -0.3156270), wk = 0.0033333 k( 202) = ( 0.3219396 -0.0000000 -0.3219396), wk = 0.0033333 k( 203) = ( 0.3282521 -0.0000000 -0.3282521), wk = 0.0033333 k( 204) = ( 0.3345646 -0.0000000 -0.3345646), wk = 0.0033333 k( 205) = ( 0.3408772 -0.0000000 -0.3408772), wk = 0.0033333 k( 206) = ( 0.6591228 0.3408772 -0.0000000), wk = 0.0033333 k( 207) = ( 0.6527579 0.3472421 -0.0000000), wk = 0.0033333 k( 208) = ( 0.6463930 0.3536070 -0.0000000), wk = 0.0033333 k( 209) = ( 0.6400281 0.3599719 -0.0000000), wk = 0.0033333 k( 210) = ( 0.6336632 0.3663368 -0.0000000), wk = 0.0033333 k( 211) = ( 0.6272982 0.3727017 -0.0000000), wk = 0.0033333 k( 212) = ( 0.6209333 0.3790667 -0.0000000), wk = 0.0033333 k( 213) = ( 0.6145684 0.3854316 -0.0000000), wk = 0.0033333 k( 214) = ( 0.6082035 0.3917965 -0.0000000), wk = 0.0033333 k( 215) = ( 0.6018386 0.3981614 -0.0000000), wk = 0.0033333 k( 216) = ( 0.5954737 0.4045263 -0.0000000), wk = 0.0033333 k( 217) = ( 0.5891088 0.4108912 -0.0000000), wk = 0.0033333 k( 218) = ( 0.5827439 0.4172561 -0.0000000), wk = 0.0033333 k( 219) = ( 0.5763789 0.4236210 -0.0000000), wk = 0.0033333 k( 220) = ( 0.5700140 0.4299860 -0.0000000), wk = 0.0033333 k( 221) = ( 0.5636491 0.4363509 -0.0000000), wk = 0.0033333 k( 222) = ( 0.5572842 0.4427158 -0.0000000), wk = 0.0033333 k( 223) = ( 0.5509193 0.4490807 -0.0000000), wk = 0.0033333 k( 224) = ( 0.5445544 0.4554456 -0.0000000), wk = 0.0033333 k( 225) = ( 0.5381895 0.4618105 -0.0000000), wk = 0.0033333 k( 226) = ( 0.5318246 0.4681754 -0.0000000), wk = 0.0033333 k( 227) = ( 0.5254596 0.4745403 -0.0000000), wk = 0.0033333 k( 228) = ( 0.5190947 0.4809053 -0.0000000), wk = 0.0033333 k( 229) = ( 0.5127298 0.4872702 -0.0000000), wk = 0.0033333 k( 230) = ( 0.5063649 0.4936351 -0.0000000), wk = 0.0033333 k( 231) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 232) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 233) = ( 0.5198903 0.5198903 0.0227193), wk = 0.0033333 k( 234) = ( 0.5397807 0.5397807 0.0454386), wk = 0.0033333 k( 235) = ( 0.5596711 0.5596711 0.0681579), wk = 0.0033333 k( 236) = ( 0.5795614 0.5795614 0.0908772), wk = 0.0033333 k( 237) = ( 0.5994518 0.5994518 0.1135965), wk = 0.0033333 k( 238) = ( 0.6193421 0.6193421 0.1363158), wk = 0.0033333 k( 239) = ( 0.6392325 0.6392325 0.1590351), wk = 0.0033333 k( 240) = ( 0.6591228 0.6591228 0.1817544), wk = 0.0033333 k( 241) = ( 0.6591228 0.6591228 0.1817544), wk = 0.0033333 k( 242) = ( 0.6555064 0.6555064 0.1889872), wk = 0.0033333 k( 243) = ( 0.6518900 0.6518900 0.1962201), wk = 0.0033333 k( 244) = ( 0.6482735 0.6482735 0.2034529), wk = 0.0033333 k( 245) = ( 0.6446571 0.6446571 0.2106858), wk = 0.0033333 k( 246) = ( 0.6410407 0.6410407 0.2179186), wk = 0.0033333 k( 247) = ( 0.6374243 0.6374243 0.2251515), wk = 0.0033333 k( 248) = ( 0.6338078 0.6338078 0.2323844), wk = 0.0033333 k( 249) = ( 0.6301914 0.6301914 0.2396172), wk = 0.0033333 k( 250) = ( 0.6265750 0.6265750 0.2468501), wk = 0.0033333 k( 251) = ( 0.6229585 0.6229585 0.2540829), wk = 0.0033333 k( 252) = ( 0.6193421 0.6193421 0.2613158), wk = 0.0033333 k( 253) = ( 0.6157257 0.6157257 0.2685486), wk = 0.0033333 k( 254) = ( 0.6121093 0.6121093 0.2757815), wk = 0.0033333 k( 255) = ( 0.6084928 0.6084928 0.2830143), wk = 0.0033333 k( 256) = ( 0.6048764 0.6048764 0.2902472), wk = 0.0033333 k( 257) = ( 0.6012600 0.6012600 0.2974800), wk = 0.0033333 k( 258) = ( 0.5976436 0.5976435 0.3047129), wk = 0.0033333 k( 259) = ( 0.5940271 0.5940271 0.3119458), wk = 0.0033333 k( 260) = ( 0.5904107 0.5904107 0.3191786), wk = 0.0033333 k( 261) = ( 0.5867943 0.5867943 0.3264115), wk = 0.0033333 k( 262) = ( 0.5831778 0.5831778 0.3336443), wk = 0.0033333 k( 263) = ( 0.5795614 0.5795614 0.3408772), wk = 0.0033333 k( 264) = ( 0.5759450 0.5759450 0.3481100), wk = 0.0033333 k( 265) = ( 0.5723286 0.5723285 0.3553429), wk = 0.0033333 k( 266) = ( 0.5687121 0.5687121 0.3625757), wk = 0.0033333 k( 267) = ( 0.5650957 0.5650957 0.3698086), wk = 0.0033333 k( 268) = ( 0.5614793 0.5614793 0.3770415), wk = 0.0033333 k( 269) = ( 0.5578628 0.5578628 0.3842743), wk = 0.0033333 k( 270) = ( 0.5542464 0.5542464 0.3915072), wk = 0.0033333 k( 271) = ( 0.5506300 0.5506300 0.3987400), wk = 0.0033333 k( 272) = ( 0.5470136 0.5470136 0.4059729), wk = 0.0033333 k( 273) = ( 0.5433971 0.5433971 0.4132057), wk = 0.0033333 k( 274) = ( 0.5397807 0.5397807 0.4204386), wk = 0.0033333 k( 275) = ( 0.5361643 0.5361643 0.4276714), wk = 0.0033333 k( 276) = ( 0.5325479 0.5325478 0.4349043), wk = 0.0033333 k( 277) = ( 0.5289314 0.5289314 0.4421372), wk = 0.0033333 k( 278) = ( 0.5253150 0.5253150 0.4493700), wk = 0.0033333 k( 279) = ( 0.5216986 0.5216986 0.4566029), wk = 0.0033333 k( 280) = ( 0.5180821 0.5180821 0.4638357), wk = 0.0033333 k( 281) = ( 0.5144657 0.5144657 0.4710686), wk = 0.0033333 k( 282) = ( 0.5108493 0.5108493 0.4783014), wk = 0.0033333 k( 283) = ( 0.5072329 0.5072329 0.4855343), wk = 0.0033333 k( 284) = ( 0.5036164 0.5036164 0.4927671), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 286) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033333 k( 287) = ( 0.5227318 0.0243484 0.0243484), wk = 0.0033333 k( 288) = ( 0.5454637 0.0486967 0.0486967), wk = 0.0033333 k( 289) = ( 0.5681955 0.0730451 0.0730451), wk = 0.0033333 k( 290) = ( 0.5909273 0.0973935 0.0973935), wk = 0.0033333 k( 291) = ( 0.6136592 0.1217418 0.1217418), wk = 0.0033333 k( 292) = ( 0.6363910 0.1460902 0.1460902), wk = 0.0033333 k( 293) = ( 0.6591228 0.1704386 0.1704386), wk = 0.0033333 k( 294) = ( 0.6818547 0.1947870 0.1947870), wk = 0.0033333 k( 295) = ( 0.7045865 0.2191353 0.2191353), wk = 0.0033333 k( 296) = ( 0.7273183 0.2434837 0.2434837), wk = 0.0033333 k( 297) = ( 0.7500501 0.2678321 0.2678321), wk = 0.0033333 k( 298) = ( 0.7727820 0.2921804 0.2921804), wk = 0.0033333 k( 299) = ( 0.7955138 0.3165288 0.3165288), wk = 0.0033333 k( 300) = ( 0.8182456 0.3408772 0.3408772), wk = 0.0033333 Dense grid: 70013 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 28297 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 206, 40) NL pseudopotentials 0.18 Mb ( 103, 116) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1945) G-vector shells 0.01 Mb ( 1647) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 206, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sr2IN.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 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 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 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 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.5 secs Computing kpt #: 23 total cpu time spent up to now is 17.0 secs Computing kpt #: 24 total cpu time spent up to now is 17.6 secs Computing kpt #: 25 total cpu time spent up to now is 18.1 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.7 secs Computing kpt #: 29 total cpu time spent up to now is 20.3 secs Computing kpt #: 30 total cpu time spent up to now is 20.8 secs Computing kpt #: 31 total cpu time spent up to now is 21.3 secs Computing kpt #: 32 total cpu time spent up to now is 21.9 secs Computing kpt #: 33 total cpu time spent up to now is 22.4 secs Computing kpt #: 34 total cpu time spent up to now is 22.9 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.5 secs Computing kpt #: 38 total cpu time spent up to now is 25.0 secs Computing kpt #: 39 total cpu time spent up to now is 25.5 secs Computing kpt #: 40 total cpu time spent up to now is 26.0 secs Computing kpt #: 41 total cpu time spent up to now is 26.5 secs Computing kpt #: 42 total cpu time spent up to now is 27.0 secs Computing kpt #: 43 total cpu time spent up to now is 27.6 secs Computing kpt #: 44 total cpu time spent up to now is 28.1 secs Computing kpt #: 45 total cpu time spent up to now is 28.6 secs Computing kpt #: 46 total cpu time spent up to now is 29.1 secs Computing kpt #: 47 total cpu time spent up to now is 29.6 secs Computing kpt #: 48 total cpu time spent up to now is 30.1 secs Computing kpt #: 49 total cpu time spent up to now is 30.6 secs Computing kpt #: 50 total cpu time spent up to now is 31.1 secs Computing kpt #: 51 total cpu time spent up to now is 31.6 secs Computing kpt #: 52 total cpu time spent up to now is 32.1 secs Computing kpt #: 53 total cpu time spent up to now is 32.6 secs Computing kpt #: 54 total cpu time spent up to now is 33.1 secs Computing kpt #: 55 total cpu time spent up to now is 33.7 secs Computing kpt #: 56 total cpu time spent up to now is 34.2 secs Computing kpt #: 57 total cpu time spent up to now is 34.8 secs Computing kpt #: 58 total cpu time spent up to now is 35.3 secs Computing kpt #: 59 total cpu time spent up to now is 35.8 secs Computing kpt #: 60 total cpu time spent up to now is 36.4 secs Computing kpt #: 61 total cpu time spent up to now is 37.0 secs Computing kpt #: 62 total cpu time spent up to now is 37.5 secs Computing kpt #: 63 total cpu time spent up to now is 38.1 secs Computing kpt #: 64 total cpu time spent up to now is 38.6 secs Computing kpt #: 65 total cpu time spent up to now is 39.2 secs Computing kpt #: 66 total cpu time spent up to now is 39.7 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.2 secs Computing kpt #: 70 total cpu time spent up to now is 41.7 secs Computing kpt #: 71 total cpu time spent up to now is 42.2 secs Computing kpt #: 72 total cpu time spent up to now is 42.7 secs Computing kpt #: 73 total cpu time spent up to now is 43.2 secs Computing kpt #: 74 total cpu time spent up to now is 43.8 secs Computing kpt #: 75 total cpu time spent up to now is 44.3 secs Computing kpt #: 76 total cpu time spent up to now is 44.8 secs Computing kpt #: 77 total cpu time spent up to now is 45.3 secs Computing kpt #: 78 total cpu time spent up to now is 45.8 secs Computing kpt #: 79 total cpu time spent up to now is 46.4 secs Computing kpt #: 80 total cpu time spent up to now is 46.9 secs Computing kpt #: 81 total cpu time spent up to now is 47.4 secs Computing kpt #: 82 total cpu time spent up to now is 47.9 secs Computing kpt #: 83 total cpu time spent up to now is 48.5 secs Computing kpt #: 84 total cpu time spent up to now is 49.0 secs Computing kpt #: 85 total cpu time spent up to now is 49.6 secs Computing kpt #: 86 total cpu time spent up to now is 50.1 secs Computing kpt #: 87 total cpu time spent up to now is 50.6 secs Computing kpt #: 88 total cpu time spent up to now is 51.2 secs Computing kpt #: 89 total cpu time spent up to now is 51.7 secs Computing kpt #: 90 total cpu time spent up to now is 52.2 secs Computing kpt #: 91 total cpu time spent up to now is 52.8 secs Computing kpt #: 92 total cpu time spent up to now is 53.3 secs Computing kpt #: 93 total cpu time spent up to now is 53.9 secs Computing kpt #: 94 total cpu time spent up to now is 54.4 secs Computing kpt #: 95 total cpu time spent up to now is 55.0 secs Computing kpt #: 96 total cpu time spent up to now is 55.5 secs Computing kpt #: 97 total cpu time spent up to now is 56.1 secs Computing kpt #: 98 total cpu time spent up to now is 56.6 secs Computing kpt #: 99 total cpu time spent up to now is 57.2 secs Computing kpt #: 100 total cpu time spent up to now is 57.7 secs Computing kpt #: 101 total cpu time spent up to now is 58.3 secs Computing kpt #: 102 total cpu time spent up to now is 58.9 secs Computing kpt #: 103 total cpu time spent up to now is 59.4 secs Computing kpt #: 104 total cpu time spent up to now is 60.0 secs Computing kpt #: 105 total cpu time spent up to now is 60.5 secs Computing kpt #: 106 total cpu time spent up to now is 61.1 secs Computing kpt #: 107 total cpu time spent up to now is 61.7 secs Computing kpt #: 108 total cpu time spent up to now is 62.2 secs Computing kpt #: 109 total cpu time spent up to now is 62.8 secs Computing kpt #: 110 total cpu time spent up to now is 63.4 secs Computing kpt #: 111 total cpu time spent up to now is 63.9 secs Computing kpt #: 112 total cpu time spent up to now is 64.5 secs Computing kpt #: 113 total cpu time spent up to now is 65.0 secs Computing kpt #: 114 total cpu time spent up to now is 65.6 secs Computing kpt #: 115 total cpu time spent up to now is 66.1 secs Computing kpt #: 116 total cpu time spent up to now is 66.7 secs Computing kpt #: 117 total cpu time spent up to now is 67.2 secs Computing kpt #: 118 total cpu time spent up to now is 67.8 secs Computing kpt #: 119 total cpu time spent up to now is 68.4 secs Computing kpt #: 120 total cpu time spent up to now is 69.1 secs Computing kpt #: 121 total cpu time spent up to now is 69.8 secs Computing kpt #: 122 total cpu time spent up to now is 70.5 secs Computing kpt #: 123 total cpu time spent up to now is 71.1 secs Computing kpt #: 124 total cpu time spent up to now is 71.7 secs Computing kpt #: 125 total cpu time spent up to now is 72.3 secs Computing kpt #: 126 total cpu time spent up to now is 72.8 secs Computing kpt #: 127 total cpu time spent up to now is 73.4 secs Computing kpt #: 128 total cpu time spent up to now is 74.1 secs Computing kpt #: 129 total cpu time spent up to now is 74.8 secs Computing kpt #: 130 total cpu time spent up to now is 75.3 secs Computing kpt #: 131 total cpu time spent up to now is 76.0 secs Computing kpt #: 132 total cpu time spent up to now is 76.6 secs Computing kpt #: 133 total cpu time spent up to now is 77.2 secs Computing kpt #: 134 total cpu time spent up to now is 77.8 secs Computing kpt #: 135 total cpu time spent up to now is 78.3 secs Computing kpt #: 136 total cpu time spent up to now is 78.9 secs Computing kpt #: 137 total cpu time spent up to now is 79.6 secs Computing kpt #: 138 total cpu time spent up to now is 80.1 secs Computing kpt #: 139 total cpu time spent up to now is 80.7 secs Computing kpt #: 140 total cpu time spent up to now is 81.3 secs Computing kpt #: 141 total cpu time spent up to now is 82.0 secs Computing kpt #: 142 total cpu time spent up to now is 82.7 secs Computing kpt #: 143 total cpu time spent up to now is 83.3 secs Computing kpt #: 144 total cpu time spent up to now is 83.9 secs Computing kpt #: 145 total cpu time spent up to now is 84.4 secs Computing kpt #: 146 total cpu time spent up to now is 85.1 secs Computing kpt #: 147 total cpu time spent up to now is 85.8 secs Computing kpt #: 148 total cpu time spent up to now is 86.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.1 secs Computing kpt #: 150 total cpu time spent up to now is 87.7 secs Computing kpt #: 151 total cpu time spent up to now is 88.4 secs Computing kpt #: 152 total cpu time spent up to now is 89.0 secs Computing kpt #: 153 total cpu time spent up to now is 89.7 secs Computing kpt #: 154 total cpu time spent up to now is 90.3 secs Computing kpt #: 155 total cpu time spent up to now is 90.9 secs Computing kpt #: 156 total cpu time spent up to now is 91.5 secs Computing kpt #: 157 total cpu time spent up to now is 92.1 secs Computing kpt #: 158 total cpu time spent up to now is 92.7 secs Computing kpt #: 159 total cpu time spent up to now is 93.2 secs Computing kpt #: 160 total cpu time spent up to now is 93.8 secs Computing kpt #: 161 total cpu time spent up to now is 94.4 secs Computing kpt #: 162 total cpu time spent up to now is 95.0 secs Computing kpt #: 163 total cpu time spent up to now is 95.6 secs Computing kpt #: 164 total cpu time spent up to now is 96.3 secs Computing kpt #: 165 total cpu time spent up to now is 96.8 secs Computing kpt #: 166 total cpu time spent up to now is 97.4 secs Computing kpt #: 167 total cpu time spent up to now is 98.0 secs Computing kpt #: 168 total cpu time spent up to now is 98.6 secs Computing kpt #: 169 total cpu time spent up to now is 99.2 secs Computing kpt #: 170 total cpu time spent up to now is 99.8 secs Computing kpt #: 171 total cpu time spent up to now is 100.3 secs Computing kpt #: 172 total cpu time spent up to now is 100.9 secs Computing kpt #: 173 total cpu time spent up to now is 101.5 secs Computing kpt #: 174 total cpu time spent up to now is 102.0 secs Computing kpt #: 175 total cpu time spent up to now is 102.6 secs Computing kpt #: 176 total cpu time spent up to now is 103.1 secs Computing kpt #: 177 total cpu time spent up to now is 103.7 secs Computing kpt #: 178 total cpu time spent up to now is 104.2 secs Computing kpt #: 179 total cpu time spent up to now is 104.8 secs Computing kpt #: 180 total cpu time spent up to now is 105.3 secs Computing kpt #: 181 total cpu time spent up to now is 105.8 secs Computing kpt #: 182 total cpu time spent up to now is 106.4 secs Computing kpt #: 183 total cpu time spent up to now is 106.9 secs Computing kpt #: 184 total cpu time spent up to now is 107.4 secs Computing kpt #: 185 total cpu time spent up to now is 108.0 secs Computing kpt #: 186 total cpu time spent up to now is 108.5 secs Computing kpt #: 187 total cpu time spent up to now is 109.0 secs Computing kpt #: 188 total cpu time spent up to now is 109.5 secs Computing kpt #: 189 total cpu time spent up to now is 110.0 secs Computing kpt #: 190 total cpu time spent up to now is 110.5 secs Computing kpt #: 191 total cpu time spent up to now is 111.0 secs Computing kpt #: 192 total cpu time spent up to now is 111.5 secs Computing kpt #: 193 total cpu time spent up to now is 112.0 secs Computing kpt #: 194 total cpu time spent up to now is 112.5 secs Computing kpt #: 195 total cpu time spent up to now is 113.0 secs Computing kpt #: 196 total cpu time spent up to now is 113.5 secs Computing kpt #: 197 total cpu time spent up to now is 114.0 secs Computing kpt #: 198 total cpu time spent up to now is 114.6 secs Computing kpt #: 199 total cpu time spent up to now is 115.1 secs Computing kpt #: 200 total cpu time spent up to now is 115.6 secs Computing kpt #: 201 total cpu time spent up to now is 116.1 secs Computing kpt #: 202 total cpu time spent up to now is 116.6 secs Computing kpt #: 203 total cpu time spent up to now is 117.1 secs Computing kpt #: 204 total cpu time spent up to now is 117.7 secs Computing kpt #: 205 total cpu time spent up to now is 118.2 secs Computing kpt #: 206 total cpu time spent up to now is 119.8 secs Computing kpt #: 207 total cpu time spent up to now is 120.3 secs Computing kpt #: 208 total cpu time spent up to now is 120.9 secs Computing kpt #: 209 total cpu time spent up to now is 121.4 secs Computing kpt #: 210 total cpu time spent up to now is 122.0 secs Computing kpt #: 211 total cpu time spent up to now is 122.5 secs Computing kpt #: 212 total cpu time spent up to now is 123.1 secs Computing kpt #: 213 total cpu time spent up to now is 123.7 secs Computing kpt #: 214 total cpu time spent up to now is 124.2 secs Computing kpt #: 215 total cpu time spent up to now is 124.8 secs Computing kpt #: 216 total cpu time spent up to now is 125.4 secs Computing kpt #: 217 total cpu time spent up to now is 125.9 secs Computing kpt #: 218 total cpu time spent up to now is 126.5 secs Computing kpt #: 219 total cpu time spent up to now is 127.0 secs Computing kpt #: 220 total cpu time spent up to now is 127.6 secs Computing kpt #: 221 total cpu time spent up to now is 128.2 secs Computing kpt #: 222 total cpu time spent up to now is 128.7 secs Computing kpt #: 223 total cpu time spent up to now is 129.3 secs Computing kpt #: 224 total cpu time spent up to now is 129.9 secs Computing kpt #: 225 total cpu time spent up to now is 130.4 secs Computing kpt #: 226 total cpu time spent up to now is 131.0 secs Computing kpt #: 227 total cpu time spent up to now is 131.5 secs Computing kpt #: 228 total cpu time spent up to now is 132.1 secs Computing kpt #: 229 total cpu time spent up to now is 132.7 secs Computing kpt #: 230 total cpu time spent up to now is 133.2 secs Computing kpt #: 231 total cpu time spent up to now is 133.7 secs Computing kpt #: 232 total cpu time spent up to now is 134.3 secs Computing kpt #: 233 total cpu time spent up to now is 134.8 secs Computing kpt #: 234 total cpu time spent up to now is 135.3 secs Computing kpt #: 235 total cpu time spent up to now is 135.9 secs Computing kpt #: 236 total cpu time spent up to now is 136.4 secs Computing kpt #: 237 total cpu time spent up to now is 137.0 secs Computing kpt #: 238 total cpu time spent up to now is 137.5 secs Computing kpt #: 239 total cpu time spent up to now is 138.1 secs Computing kpt #: 240 total cpu time spent up to now is 138.6 secs Computing kpt #: 241 total cpu time spent up to now is 139.2 secs Computing kpt #: 242 total cpu time spent up to now is 139.7 secs Computing kpt #: 243 total cpu time spent up to now is 140.2 secs Computing kpt #: 244 total cpu time spent up to now is 140.8 secs Computing kpt #: 245 total cpu time spent up to now is 141.3 secs Computing kpt #: 246 total cpu time spent up to now is 141.9 secs Computing kpt #: 247 total cpu time spent up to now is 142.5 secs Computing kpt #: 248 total cpu time spent up to now is 143.0 secs Computing kpt #: 249 total cpu time spent up to now is 143.6 secs Computing kpt #: 250 total cpu time spent up to now is 144.3 secs Computing kpt #: 251 total cpu time spent up to now is 144.9 secs Computing kpt #: 252 total cpu time spent up to now is 145.6 secs Computing kpt #: 253 total cpu time spent up to now is 146.2 secs Computing kpt #: 254 total cpu time spent up to now is 146.9 secs Computing kpt #: 255 total cpu time spent up to now is 147.6 secs Computing kpt #: 256 total cpu time spent up to now is 148.2 secs Computing kpt #: 257 total cpu time spent up to now is 148.8 secs Computing kpt #: 258 total cpu time spent up to now is 149.5 secs Computing kpt #: 259 total cpu time spent up to now is 150.2 secs Computing kpt #: 260 total cpu time spent up to now is 150.8 secs Computing kpt #: 261 total cpu time spent up to now is 151.4 secs Computing kpt #: 262 total cpu time spent up to now is 152.0 secs Computing kpt #: 263 total cpu time spent up to now is 152.6 secs Computing kpt #: 264 total cpu time spent up to now is 153.1 secs Computing kpt #: 265 total cpu time spent up to now is 153.7 secs Computing kpt #: 266 total cpu time spent up to now is 154.3 secs Computing kpt #: 267 total cpu time spent up to now is 154.9 secs Computing kpt #: 268 total cpu time spent up to now is 155.4 secs Computing kpt #: 269 total cpu time spent up to now is 156.0 secs Computing kpt #: 270 total cpu time spent up to now is 156.6 secs Computing kpt #: 271 total cpu time spent up to now is 157.1 secs Computing kpt #: 272 total cpu time spent up to now is 157.8 secs Computing kpt #: 273 total cpu time spent up to now is 158.5 secs Computing kpt #: 274 total cpu time spent up to now is 159.1 secs Computing kpt #: 275 total cpu time spent up to now is 159.8 secs Computing kpt #: 276 total cpu time spent up to now is 160.5 secs Computing kpt #: 277 total cpu time spent up to now is 161.2 secs Computing kpt #: 278 total cpu time spent up to now is 161.8 secs Computing kpt #: 279 total cpu time spent up to now is 162.5 secs Computing kpt #: 280 total cpu time spent up to now is 163.1 secs Computing kpt #: 281 total cpu time spent up to now is 163.8 secs Computing kpt #: 282 total cpu time spent up to now is 164.3 secs Computing kpt #: 283 total cpu time spent up to now is 165.0 secs Computing kpt #: 284 total cpu time spent up to now is 165.7 secs Computing kpt #: 285 total cpu time spent up to now is 166.2 secs Computing kpt #: 286 total cpu time spent up to now is 166.7 secs Computing kpt #: 287 total cpu time spent up to now is 167.2 secs Computing kpt #: 288 total cpu time spent up to now is 167.7 secs Computing kpt #: 289 total cpu time spent up to now is 168.2 secs Computing kpt #: 290 total cpu time spent up to now is 168.7 secs Computing kpt #: 291 total cpu time spent up to now is 169.3 secs Computing kpt #: 292 total cpu time spent up to now is 169.8 secs Computing kpt #: 293 total cpu time spent up to now is 170.3 secs Computing kpt #: 294 total cpu time spent up to now is 170.8 secs Computing kpt #: 295 total cpu time spent up to now is 171.3 secs Computing kpt #: 296 total cpu time spent up to now is 171.8 secs Computing kpt #: 297 total cpu time spent up to now is 172.4 secs Computing kpt #: 298 total cpu time spent up to now is 172.9 secs Computing kpt #: 299 total cpu time spent up to now is 173.4 secs Computing kpt #: 300 total cpu time spent up to now is 174.0 secs ethr = 3.13E-08, avg # of iterations = 18.6 total cpu time spent up to now is 174.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3493 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6241 -9.6241 -9.2761 -9.2761 -8.5812 -8.5812 -8.1941 -8.1941 -8.1462 -8.1462 -8.0884 -8.0884 -5.8871 -5.8871 -3.1016 -3.1016 3.1774 3.1774 5.4501 5.4501 6.1227 6.1227 6.6569 6.6569 7.1642 7.1642 7.2450 7.2450 9.2563 9.2563 11.1794 11.1794 11.5489 11.5489 11.5699 11.5699 k = 0.0109-0.0197-0.0119 ( 3498 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6240 -9.6240 -9.2764 -9.2764 -8.5812 -8.5812 -8.1947 -8.1947 -8.1461 -8.1461 -8.0888 -8.0888 -5.8864 -5.8864 -3.1015 -3.1015 3.1782 3.1782 5.4478 5.4478 6.1202 6.1202 6.6573 6.6573 7.1625 7.1625 7.2425 7.2425 9.2617 9.2617 11.1850 11.1850 11.5438 11.5438 11.5681 11.5681 k = 0.0217-0.0394-0.0237 ( 3498 PWs) bands (ev): -26.6384 -26.6384 -26.5534 -26.5534 -9.6238 -9.6238 -9.2772 -9.2772 -8.5811 -8.5811 -8.1965 -8.1965 -8.1455 -8.1455 -8.0899 -8.0899 -5.8844 -5.8844 -3.1009 -3.1009 3.1804 3.1804 5.4407 5.4407 6.1125 6.1125 6.6586 6.6586 7.1569 7.1569 7.2359 7.2359 9.2776 9.2776 11.2013 11.2013 11.5203 11.5203 11.5719 11.5719 k = 0.0326-0.0591-0.0356 ( 3501 PWs) bands (ev): -26.6381 -26.6381 -26.5534 -26.5534 -9.6233 -9.6233 -9.2785 -9.2785 -8.5811 -8.5811 -8.1994 -8.1994 -8.1448 -8.1448 -8.0919 -8.0919 -5.8810 -5.8810 -3.1001 -3.1001 3.1842 3.1842 5.4288 5.4288 6.1000 6.1000 6.6608 6.6608 7.1462 7.1462 7.2270 7.2270 9.3035 9.3035 11.2272 11.2272 11.4806 11.4806 11.5835 11.5835 k = 0.0435-0.0788-0.0475 ( 3501 PWs) bands (ev): -26.6378 -26.6378 -26.5533 -26.5533 -9.6228 -9.6228 -9.2804 -9.2804 -8.5811 -8.5811 -8.2033 -8.2033 -8.1441 -8.1441 -8.0945 -8.0945 -5.8763 -5.8763 -3.0989 -3.0989 3.1893 3.1893 5.4118 5.4118 6.0827 6.0827 6.6638 6.6638 7.1292 7.1292 7.2185 7.2185 9.3385 9.3385 11.2588 11.2588 11.4333 11.4333 11.6008 11.6008 k = 0.0543-0.0985-0.0594 ( 3499 PWs) bands (ev): -26.6373 -26.6373 -26.5533 -26.5533 -9.6220 -9.6220 -9.2828 -9.2828 -8.5810 -8.5810 -8.2080 -8.2080 -8.1435 -8.1435 -8.0977 -8.0977 -5.8703 -5.8703 -3.0973 -3.0973 3.1958 3.1958 5.3895 5.3895 6.0613 6.0613 6.6677 6.6677 7.1057 7.1057 7.2116 7.2116 9.3816 9.3816 11.2804 11.2804 11.3967 11.3967 11.6232 11.6232 k = 0.0652-0.1182-0.0712 ( 3497 PWs) bands (ev): -26.6367 -26.6367 -26.5532 -26.5532 -9.6212 -9.6212 -9.2858 -9.2858 -8.5809 -8.5809 -8.2134 -8.2134 -8.1433 -8.1433 -8.1012 -8.1012 -5.8630 -5.8630 -3.0954 -3.0954 3.2036 3.2036 5.3616 5.3616 6.0361 6.0361 6.6724 6.6724 7.0773 7.0773 7.2067 7.2067 9.4316 9.4316 11.2545 11.2545 11.4094 11.4094 11.6504 11.6504 k = 0.0761-0.1378-0.0831 ( 3497 PWs) bands (ev): -26.6361 -26.6361 -26.5531 -26.5531 -9.6202 -9.6202 -9.2892 -9.2892 -8.5808 -8.5808 -8.2194 -8.2194 -8.1438 -8.1438 -8.1049 -8.1049 -5.8546 -5.8546 -3.0932 -3.0932 3.2126 3.2126 5.3278 5.3278 6.0079 6.0079 6.6780 6.6780 7.0456 7.0456 7.2031 7.2031 9.4877 9.4877 11.1944 11.1944 11.4576 11.4576 11.6823 11.6823 k = 0.0870-0.1575-0.0950 ( 3504 PWs) bands (ev): -26.6353 -26.6353 -26.5530 -26.5530 -9.6190 -9.6190 -9.2931 -9.2931 -8.5807 -8.5807 -8.2259 -8.2259 -8.1451 -8.1451 -8.1085 -8.1085 -5.8451 -5.8451 -3.0906 -3.0906 3.2227 3.2227 5.2877 5.2877 5.9772 5.9772 6.6845 6.6845 7.0126 7.0126 7.2006 7.2006 9.5486 9.5486 11.1249 11.1249 11.5149 11.5149 11.7187 11.7187 k = 0.0978-0.1772-0.1069 ( 3509 PWs) bands (ev): -26.6344 -26.6344 -26.5529 -26.5529 -9.6178 -9.6178 -9.2976 -9.2976 -8.5805 -8.5805 -8.2330 -8.2330 -8.1476 -8.1476 -8.1118 -8.1118 -5.8345 -5.8345 -3.0877 -3.0877 3.2338 3.2338 5.2413 5.2413 5.9449 5.9449 6.6919 6.6919 6.9795 6.9795 7.1988 7.1988 9.6135 9.6135 11.0526 11.0526 11.5717 11.5717 11.7592 11.7592 k = 0.1087-0.1969-0.1187 ( 3517 PWs) bands (ev): -26.6335 -26.6335 -26.5528 -26.5528 -9.6165 -9.6165 -9.3025 -9.3025 -8.5803 -8.5803 -8.2405 -8.2405 -8.1514 -8.1514 -8.1143 -8.1143 -5.8229 -5.8229 -3.0846 -3.0846 3.2457 3.2457 5.1884 5.1884 5.9117 5.9117 6.7001 6.7001 6.9474 6.9474 7.1976 7.1976 9.6815 9.6815 10.9797 10.9797 11.6217 11.6217 11.8034 11.8034 k = 0.1196-0.2166-0.1306 ( 3523 PWs) bands (ev): -26.6325 -26.6325 -26.5526 -26.5526 -9.6151 -9.6151 -9.3078 -9.3078 -8.5801 -8.5801 -8.2485 -8.2485 -8.1564 -8.1564 -8.1163 -8.1163 -5.8104 -5.8104 -3.0811 -3.0811 3.2584 3.2584 5.1293 5.1293 5.8781 5.8781 6.7092 6.7092 6.9169 6.9169 7.1969 7.1969 9.7519 9.7519 10.9076 10.9076 11.6601 11.6601 11.8511 11.8511 k = 0.1304-0.2363-0.1425 ( 3523 PWs) bands (ev): -26.6313 -26.6313 -26.5525 -26.5525 -9.6136 -9.6136 -9.3136 -9.3136 -8.5797 -8.5797 -8.2568 -8.2568 -8.1626 -8.1626 -8.1177 -8.1177 -5.7970 -5.7970 -3.0774 -3.0774 3.2715 3.2715 5.0643 5.0643 5.8447 5.8447 6.7192 6.7192 6.8885 6.8885 7.1967 7.1967 9.8238 9.8238 10.8373 10.8373 11.6843 11.6843 11.9020 11.9020 k = 0.1413-0.2560-0.1543 ( 3525 PWs) bands (ev): -26.6301 -26.6301 -26.5524 -26.5524 -9.6121 -9.6121 -9.3198 -9.3198 -8.5794 -8.5794 -8.2655 -8.2655 -8.1695 -8.1695 -8.1188 -8.1188 -5.7829 -5.7829 -3.0734 -3.0734 3.2851 3.2851 4.9940 4.9940 5.8117 5.8117 6.7300 6.7300 6.8624 6.8624 7.1970 7.1970 9.8964 9.8964 10.7694 10.7694 11.6949 11.6949 11.9558 11.9558 k = 0.1522-0.2757-0.1662 ( 3528 PWs) bands (ev): -26.6288 -26.6288 -26.5522 -26.5522 -9.6105 -9.6105 -9.3264 -9.3264 -8.5789 -8.5789 -8.2745 -8.2745 -8.1770 -8.1770 -8.1196 -8.1196 -5.7681 -5.7681 -3.0691 -3.0691 3.2989 3.2989 4.9190 4.9190 5.7794 5.7794 6.7415 6.7415 6.8389 6.8389 7.1977 7.1977 9.9687 9.9687 10.7050 10.7050 11.6940 11.6940 12.0121 12.0121 k = 0.1630-0.2954-0.1781 ( 3529 PWs) bands (ev): -26.6275 -26.6275 -26.5521 -26.5521 -9.6090 -9.6090 -9.3334 -9.3334 -8.5784 -8.5784 -8.2838 -8.2838 -8.1849 -8.1849 -8.1204 -8.1204 -5.7527 -5.7527 -3.0647 -3.0647 3.3127 3.3127 4.8403 4.8403 5.7478 5.7478 6.7532 6.7532 6.8183 6.8183 7.1988 7.1988 10.0395 10.0395 10.6451 10.6451 11.6844 11.6844 12.0702 12.0702 k = 0.1739-0.3151-0.1900 ( 3532 PWs) bands (ev): -26.6261 -26.6261 -26.5520 -26.5520 -9.6074 -9.6074 -9.3407 -9.3407 -8.5778 -8.5778 -8.2934 -8.2934 -8.1931 -8.1931 -8.1212 -8.1212 -5.7367 -5.7367 -3.0601 -3.0601 3.3264 3.3264 4.7588 4.7588 5.7170 5.7170 6.7633 6.7633 6.8024 6.8024 7.2003 7.2003 10.1068 10.1068 10.5915 10.5915 11.6683 11.6683 12.1295 12.1295 k = 0.1848-0.3348-0.2018 ( 3526 PWs) bands (ev): -26.6246 -26.6246 -26.5519 -26.5519 -9.6058 -9.6058 -9.3484 -9.3484 -8.5771 -8.5771 -8.3032 -8.3032 -8.2013 -8.2013 -8.1220 -8.1220 -5.7203 -5.7203 -3.0553 -3.0553 3.3397 3.3397 4.6752 4.6752 5.6869 5.6869 6.7635 6.7635 6.7992 6.7992 7.2022 7.2022 10.1670 10.1670 10.5476 10.5476 11.6474 11.6474 12.1333 12.1333 k = 0.1957-0.3545-0.2137 ( 3527 PWs) bands (ev): -26.6230 -26.6230 -26.5517 -26.5517 -9.6043 -9.6043 -9.3563 -9.3563 -8.5764 -8.5764 -8.3131 -8.3131 -8.2095 -8.2095 -8.1229 -8.1229 -5.7036 -5.7036 -3.0504 -3.0504 3.3523 3.3523 4.5907 4.5907 5.6576 5.6576 6.7519 6.7519 6.8104 6.8104 7.2045 7.2045 10.2134 10.2134 10.5196 10.5196 11.6233 11.6233 12.0622 12.0622 k = 0.2065-0.3741-0.2256 ( 3533 PWs) bands (ev): -26.6214 -26.6214 -26.5517 -26.5517 -9.6028 -9.6028 -9.3645 -9.3645 -8.5755 -8.5755 -8.3232 -8.3232 -8.2177 -8.2177 -8.1239 -8.1239 -5.6866 -5.6866 -3.0454 -3.0454 3.3640 3.3640 4.5062 4.5062 5.6290 5.6290 6.7373 6.7373 6.8269 6.8269 7.2071 7.2071 10.2366 10.2366 10.5167 10.5167 11.5967 11.5967 11.9918 11.9918 k = 0.2174-0.3938-0.2375 ( 3531 PWs) bands (ev): -26.6198 -26.6198 -26.5516 -26.5516 -9.6014 -9.6014 -9.3729 -9.3729 -8.5746 -8.5746 -8.3334 -8.3334 -8.2258 -8.2258 -8.1250 -8.1250 -5.6693 -5.6693 -3.0403 -3.0403 3.3742 3.3742 4.4226 4.4226 5.6010 5.6010 6.7221 6.7221 6.8458 6.8458 7.2100 7.2100 10.2333 10.2333 10.5417 10.5417 11.5685 11.5685 11.9224 11.9224 k = 0.2283-0.4135-0.2493 ( 3535 PWs) bands (ev): -26.6181 -26.6181 -26.5515 -26.5515 -9.6000 -9.6000 -9.3815 -9.3815 -8.5736 -8.5736 -8.3436 -8.3436 -8.2337 -8.2337 -8.1262 -8.1262 -5.6519 -5.6519 -3.0352 -3.0352 3.3827 3.3827 4.3411 4.3411 5.5737 5.5737 6.7067 6.7067 6.8665 6.8665 7.2131 7.2131 10.2120 10.2120 10.5857 10.5857 11.5393 11.5393 11.8544 11.8544 k = 0.2391-0.4332-0.2612 ( 3538 PWs) bands (ev): -26.6164 -26.6164 -26.5515 -26.5515 -9.5987 -9.5987 -9.3903 -9.3903 -8.5725 -8.5725 -8.3538 -8.3538 -8.2413 -8.2413 -8.1275 -8.1275 -5.6344 -5.6344 -3.0300 -3.0300 3.3887 3.3887 4.2626 4.2626 5.5471 5.5471 6.6910 6.6910 6.8887 6.8887 7.2165 7.2165 10.1827 10.1827 10.6382 10.6382 11.5095 11.5095 11.7882 11.7882 k = 0.2500-0.4529-0.2731 ( 3540 PWs) bands (ev): -26.6146 -26.6146 -26.5514 -26.5514 -9.5975 -9.5975 -9.3991 -9.3991 -8.5713 -8.5713 -8.3639 -8.3639 -8.2487 -8.2487 -8.1288 -8.1288 -5.6169 -5.6169 -3.0250 -3.0250 3.3915 3.3915 4.1885 4.1885 5.5211 5.5211 6.6748 6.6748 6.9123 6.9123 7.2199 7.2199 10.1509 10.1509 10.6932 10.6932 11.4795 11.4795 11.7241 11.7241 k = 0.2609-0.4726-0.2849 ( 3536 PWs) bands (ev): -26.6128 -26.6128 -26.5514 -26.5514 -9.5964 -9.5964 -9.4081 -9.4081 -8.5700 -8.5700 -8.3740 -8.3740 -8.2558 -8.2558 -8.1303 -8.1303 -5.5995 -5.5995 -3.0199 -3.0199 3.3902 3.3902 4.1201 4.1201 5.4958 5.4958 6.6580 6.6580 6.9370 6.9370 7.2236 7.2236 10.1193 10.1193 10.7473 10.7473 11.4497 11.4497 11.6626 11.6626 k = 0.2717-0.4923-0.2968 ( 3539 PWs) bands (ev): -26.6110 -26.6110 -26.5515 -26.5515 -9.5953 -9.5953 -9.4171 -9.4171 -8.5687 -8.5687 -8.3839 -8.3839 -8.2626 -8.2626 -8.1318 -8.1318 -5.5822 -5.5822 -3.0150 -3.0150 3.3837 3.3837 4.0587 4.0587 5.4714 5.4714 6.6402 6.6402 6.9625 6.9625 7.2273 7.2273 10.0891 10.0891 10.7986 10.7986 11.4202 11.4202 11.6042 11.6042 k = 0.2826-0.5120-0.3087 ( 3544 PWs) bands (ev): -26.6092 -26.6092 -26.5515 -26.5515 -9.5942 -9.5942 -9.4261 -9.4261 -8.5673 -8.5673 -8.3936 -8.3936 -8.2690 -8.2690 -8.1334 -8.1334 -5.5651 -5.5651 -3.0102 -3.0102 3.3710 3.3710 4.0059 4.0059 5.4477 5.4477 6.6214 6.6214 6.9888 6.9888 7.2310 7.2310 10.0608 10.0608 10.8460 10.8460 11.3915 11.3915 11.5495 11.5495 k = 0.2935-0.5317-0.3206 ( 3535 PWs) bands (ev): -26.6074 -26.6074 -26.5516 -26.5516 -9.5933 -9.5933 -9.4351 -9.4351 -8.5658 -8.5658 -8.4031 -8.4031 -8.2751 -8.2751 -8.1351 -8.1351 -5.5483 -5.5483 -3.0056 -3.0056 3.3512 3.3512 3.9627 3.9627 5.4249 5.4249 6.6016 6.6016 7.0156 7.0156 7.2347 7.2347 10.0347 10.0347 10.8881 10.8881 11.3641 11.3641 11.4990 11.4990 k = 0.3043-0.5514-0.3324 ( 3543 PWs) bands (ev): -26.6056 -26.6056 -26.5517 -26.5517 -9.5924 -9.5924 -9.4440 -9.4440 -8.5642 -8.5642 -8.4124 -8.4124 -8.2808 -8.2808 -8.1368 -8.1368 -5.5318 -5.5318 -3.0012 -3.0012 3.3242 3.3242 3.9295 3.9295 5.4030 5.4030 6.5807 6.5807 7.0425 7.0425 7.2385 7.2385 10.0110 10.0110 10.9239 10.9239 11.3387 11.3387 11.4534 11.4534 k = 0.3152-0.5711-0.3443 ( 3545 PWs) bands (ev): -26.6038 -26.6038 -26.5519 -26.5519 -9.5915 -9.5915 -9.4529 -9.4529 -8.5626 -8.5626 -8.4214 -8.4214 -8.2862 -8.2862 -8.1385 -8.1385 -5.5157 -5.5157 -2.9969 -2.9969 3.2905 3.2905 3.9060 3.9060 5.3820 5.3820 6.5588 6.5588 7.0693 7.0693 7.2421 7.2421 9.9895 9.9895 10.9519 10.9519 11.3166 11.3166 11.4131 11.4131 k = 0.3261-0.5908-0.3562 ( 3543 PWs) bands (ev): -26.6020 -26.6020 -26.5520 -26.5520 -9.5907 -9.5907 -9.4615 -9.4615 -8.5610 -8.5610 -8.4301 -8.4301 -8.2912 -8.2912 -8.1403 -8.1403 -5.5001 -5.5001 -2.9929 -2.9929 3.2514 3.2514 3.8911 3.8911 5.3621 5.3621 6.5360 6.5360 7.0957 7.0957 7.2458 7.2458 9.9702 9.9702 10.9707 10.9707 11.2993 11.2993 11.3786 11.3786 k = 0.3370-0.6105-0.3681 ( 3542 PWs) bands (ev): -26.6002 -26.6002 -26.5522 -26.5522 -9.5899 -9.5899 -9.4701 -9.4701 -8.5593 -8.5593 -8.4384 -8.4384 -8.2958 -8.2958 -8.1420 -8.1420 -5.4850 -5.4850 -2.9892 -2.9892 3.2084 3.2084 3.8834 3.8834 5.3433 5.3433 6.5123 6.5123 7.1213 7.1213 7.2494 7.2494 9.9531 9.9531 10.9790 10.9790 11.2885 11.2885 11.3501 11.3501 k = 0.3478-0.6301-0.3799 ( 3540 PWs) bands (ev): -26.5985 -26.5985 -26.5525 -26.5525 -9.5891 -9.5891 -9.4784 -9.4784 -8.5575 -8.5575 -8.4465 -8.4465 -8.3000 -8.3000 -8.1438 -8.1438 -5.4705 -5.4705 -2.9857 -2.9857 3.1633 3.1633 3.8813 3.8813 5.3256 5.3256 6.4881 6.4881 7.1458 7.1458 7.2530 7.2530 9.9378 9.9378 10.9767 10.9767 11.2835 11.2835 11.3286 11.3286 k = 0.3587-0.6498-0.3918 ( 3542 PWs) bands (ev): -26.5968 -26.5968 -26.5527 -26.5527 -9.5882 -9.5882 -9.4864 -9.4864 -8.5557 -8.5557 -8.4542 -8.4542 -8.3038 -8.3038 -8.1455 -8.1455 -5.4567 -5.4567 -2.9824 -2.9824 3.1175 3.1175 3.8835 3.8835 5.3091 5.3091 6.4634 6.4634 7.1690 7.1690 7.2567 7.2567 9.9244 9.9244 10.9654 10.9654 11.2798 11.2798 11.3178 11.3178 k = 0.3696-0.6695-0.4037 ( 3543 PWs) bands (ev): -26.5951 -26.5951 -26.5530 -26.5530 -9.5873 -9.5873 -9.4942 -9.4942 -8.5539 -8.5539 -8.4615 -8.4615 -8.3072 -8.3072 -8.1471 -8.1471 -5.4435 -5.4435 -2.9795 -2.9795 3.0722 3.0722 3.8888 3.8888 5.2939 5.2939 6.4386 6.4386 7.1904 7.1904 7.2605 7.2605 9.9126 9.9126 10.9478 10.9478 11.2720 11.2720 11.3207 11.3207 k = 0.3804-0.6892-0.4155 ( 3547 PWs) bands (ev): -26.5936 -26.5936 -26.5534 -26.5534 -9.5864 -9.5864 -9.5018 -9.5018 -8.5520 -8.5520 -8.4685 -8.4685 -8.3103 -8.3103 -8.1488 -8.1488 -5.4312 -5.4312 -2.9768 -2.9768 3.0283 3.0283 3.8962 3.8962 5.2798 5.2798 6.4139 6.4139 7.2096 7.2096 7.2650 7.2650 9.9023 9.9023 10.9264 10.9264 11.2626 11.2626 11.3323 11.3323 k = 0.3913-0.7089-0.4274 ( 3551 PWs) bands (ev): -26.5920 -26.5920 -26.5537 -26.5537 -9.5854 -9.5854 -9.5090 -9.5090 -8.5501 -8.5501 -8.4751 -8.4751 -8.3131 -8.3131 -8.1503 -8.1503 -5.4197 -5.4197 -2.9743 -2.9743 2.9866 2.9866 3.9050 3.9050 5.2671 5.2671 6.3897 6.3897 7.2260 7.2260 7.2704 7.2704 9.8934 9.8934 10.9035 10.9035 11.2545 11.2545 11.3479 11.3479 k = 0.4022-0.7286-0.4393 ( 3550 PWs) bands (ev): -26.5906 -26.5906 -26.5540 -26.5540 -9.5843 -9.5843 -9.5158 -9.5158 -8.5482 -8.5482 -8.4813 -8.4813 -8.3155 -8.3155 -8.1517 -8.1517 -5.4091 -5.4091 -2.9722 -2.9722 2.9477 2.9477 3.9146 3.9146 5.2556 5.2556 6.3662 6.3662 7.2387 7.2387 7.2774 7.2774 9.8858 9.8858 10.8803 10.8803 11.2487 11.2487 11.3648 11.3648 k = 0.4130-0.7483-0.4512 ( 3553 PWs) bands (ev): -26.5893 -26.5893 -26.5544 -26.5544 -9.5830 -9.5830 -9.5223 -9.5223 -8.5462 -8.5462 -8.4872 -8.4872 -8.3176 -8.3176 -8.1531 -8.1531 -5.3994 -5.3994 -2.9703 -2.9703 2.9120 2.9120 3.9245 3.9245 5.2454 5.2454 6.3440 6.3440 7.2475 7.2475 7.2863 7.2863 9.8793 9.8793 10.8580 10.8580 11.2449 11.2449 11.3821 11.3821 k = 0.4239-0.7680-0.4630 ( 3555 PWs) bands (ev): -26.5880 -26.5880 -26.5548 -26.5548 -9.5816 -9.5816 -9.5284 -9.5284 -8.5441 -8.5441 -8.4927 -8.4927 -8.3194 -8.3194 -8.1543 -8.1543 -5.3908 -5.3908 -2.9687 -2.9687 2.8799 2.8799 3.9341 3.9341 5.2365 5.2365 6.3233 6.3233 7.2532 7.2532 7.2962 7.2962 9.8738 9.8738 10.8373 10.8373 11.2431 11.2431 11.3987 11.3987 k = 0.4348-0.7877-0.4749 ( 3550 PWs) bands (ev): -26.5869 -26.5869 -26.5551 -26.5551 -9.5801 -9.5801 -9.5341 -9.5341 -8.5420 -8.5420 -8.4978 -8.4978 -8.3209 -8.3209 -8.1554 -8.1554 -5.3832 -5.3832 -2.9673 -2.9673 2.8516 2.8516 3.9433 3.9433 5.2289 5.2289 6.3044 6.3044 7.2570 7.2570 7.3059 7.3059 9.8692 9.8692 10.8187 10.8187 11.2427 11.2427 11.4143 11.4143 k = 0.4457-0.8074-0.4868 ( 3559 PWs) bands (ev): -26.5859 -26.5859 -26.5554 -26.5554 -9.5784 -9.5784 -9.5394 -9.5394 -8.5398 -8.5398 -8.5025 -8.5025 -8.3221 -8.3221 -8.1563 -8.1563 -5.3767 -5.3767 -2.9661 -2.9661 2.8273 2.8273 3.9515 3.9515 5.2225 5.2225 6.2878 6.2878 7.2596 7.2596 7.3146 7.3146 9.8654 9.8654 10.8024 10.8024 11.2433 11.2433 11.4283 11.4283 k = 0.4565-0.8271-0.4986 ( 3554 PWs) bands (ev): -26.5851 -26.5851 -26.5557 -26.5557 -9.5766 -9.5766 -9.5442 -9.5442 -8.5376 -8.5376 -8.5069 -8.5069 -8.3231 -8.3231 -8.1571 -8.1571 -5.3713 -5.3713 -2.9652 -2.9652 2.8072 2.8072 3.9587 3.9587 5.2173 5.2173 6.2737 6.2737 7.2615 7.2615 7.3220 7.3220 9.8625 9.8625 10.7888 10.7888 11.2445 11.2445 11.4403 11.4403 k = 0.4674-0.8468-0.5105 ( 3555 PWs) bands (ev): -26.5844 -26.5844 -26.5560 -26.5560 -9.5747 -9.5747 -9.5484 -9.5484 -8.5353 -8.5353 -8.5107 -8.5107 -8.3239 -8.3239 -8.1578 -8.1578 -5.3671 -5.3671 -2.9645 -2.9645 2.7915 2.7915 3.9644 3.9644 5.2133 5.2133 6.2624 6.2624 7.2628 7.2628 7.3278 7.3278 9.8602 9.8602 10.7780 10.7780 11.2460 11.2460 11.4499 11.4499 k = 0.4783-0.8664-0.5224 ( 3551 PWs) bands (ev): -26.5840 -26.5840 -26.5561 -26.5561 -9.5728 -9.5728 -9.5520 -9.5520 -8.5332 -8.5332 -8.5140 -8.5140 -8.3244 -8.3244 -8.1582 -8.1582 -5.3641 -5.3641 -2.9640 -2.9640 2.7802 2.7802 3.9687 3.9687 5.2105 5.2105 6.2542 6.2542 7.2637 7.2637 7.3321 7.3321 9.8587 9.8587 10.7702 10.7702 11.2473 11.2473 11.4571 11.4571 k = 0.4891-0.8861-0.5343 ( 3558 PWs) bands (ev): -26.5837 -26.5837 -26.5563 -26.5563 -9.5713 -9.5713 -9.5545 -9.5545 -8.5316 -8.5316 -8.5163 -8.5163 -8.3247 -8.3247 -8.1585 -8.1585 -5.3622 -5.3622 -2.9637 -2.9637 2.7734 2.7734 3.9713 3.9713 5.2088 5.2088 6.2492 6.2492 7.2642 7.2642 7.3346 7.3346 9.8577 9.8577 10.7655 10.7655 11.2481 11.2481 11.4614 11.4614 k = 0.5000-0.9058-0.5461 ( 3558 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5707 -9.5707 -9.5554 -9.5554 -8.5309 -8.5309 -8.5172 -8.5172 -8.3248 -8.3248 -8.1586 -8.1586 -5.3616 -5.3616 -2.9636 -2.9636 2.7711 2.7711 3.9722 3.9722 5.2083 5.2083 6.2475 6.2475 7.2643 7.2643 7.3354 7.3354 9.8574 9.8574 10.7640 10.7640 11.2485 11.2485 11.4629 11.4629 k = 0.5000-0.9058-0.5461 ( 3558 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5707 -9.5707 -9.5554 -9.5554 -8.5309 -8.5309 -8.5172 -8.5172 -8.3248 -8.3248 -8.1586 -8.1586 -5.3616 -5.3616 -2.9636 -2.9636 2.7711 2.7711 3.9722 3.9722 5.2083 5.2083 6.2475 6.2475 7.2643 7.2643 7.3354 7.3354 9.8574 9.8574 10.7640 10.7640 11.2485 11.2485 11.4629 11.4629 k = 0.5000-0.8929-0.5677 ( 3558 PWs) bands (ev): -26.5835 -26.5835 -26.5563 -26.5563 -9.5708 -9.5708 -9.5553 -9.5553 -8.5325 -8.5325 -8.5157 -8.5157 -8.3249 -8.3249 -8.1588 -8.1588 -5.3614 -5.3614 -2.9634 -2.9634 2.7719 2.7719 3.9722 3.9722 5.2037 5.2037 6.2491 6.2491 7.2641 7.2641 7.3356 7.3356 9.8592 9.8592 10.7680 10.7680 11.2522 11.2522 11.4603 11.4603 k = 0.5000-0.8799-0.5892 ( 3552 PWs) bands (ev): -26.5834 -26.5834 -26.5563 -26.5563 -9.5710 -9.5710 -9.5550 -9.5550 -8.5363 -8.5363 -8.5121 -8.5121 -8.3252 -8.3252 -8.1594 -8.1594 -5.3608 -5.3608 -2.9630 -2.9630 2.7744 2.7744 3.9721 3.9721 5.1899 5.1899 6.2538 6.2538 7.2635 7.2635 7.3361 7.3361 9.8645 9.8645 10.7796 10.7796 11.2636 11.2636 11.4527 11.4527 k = 0.5000-0.8669-0.6107 ( 3558 PWs) bands (ev): -26.5833 -26.5833 -26.5564 -26.5564 -9.5712 -9.5712 -9.5545 -9.5545 -8.5408 -8.5408 -8.5079 -8.5079 -8.3258 -8.3258 -8.1605 -8.1605 -5.3599 -5.3599 -2.9623 -2.9623 2.7785 2.7785 3.9720 3.9720 5.1673 5.1673 6.2616 6.2616 7.2623 7.2623 7.3368 7.3368 9.8733 9.8733 10.7980 10.7980 11.2832 11.2832 11.4404 11.4404 k = 0.5000-0.8540-0.6322 ( 3564 PWs) bands (ev): -26.5831 -26.5831 -26.5565 -26.5565 -9.5716 -9.5716 -9.5539 -9.5539 -8.5457 -8.5457 -8.5035 -8.5035 -8.3266 -8.3266 -8.1619 -8.1619 -5.3585 -5.3585 -2.9612 -2.9612 2.7841 2.7841 3.9718 3.9718 5.1364 5.1364 6.2723 6.2723 7.2606 7.2606 7.3377 7.3377 9.8857 9.8857 10.8217 10.8217 11.3111 11.3111 11.4245 11.4245 k = 0.5000-0.8410-0.6537 ( 3568 PWs) bands (ev): -26.5828 -26.5828 -26.5566 -26.5566 -9.5719 -9.5719 -9.5531 -9.5531 -8.5508 -8.5508 -8.4989 -8.4989 -8.3275 -8.3275 -8.1637 -8.1637 -5.3568 -5.3568 -2.9599 -2.9599 2.7914 2.7914 3.9716 3.9716 5.0979 5.0979 6.2860 6.2860 7.2583 7.2583 7.3387 7.3387 9.9014 9.9014 10.8487 10.8487 11.3442 11.3442 11.4099 11.4099 k = 0.5000-0.8280-0.6752 ( 3570 PWs) bands (ev): -26.5825 -26.5825 -26.5567 -26.5567 -9.5724 -9.5724 -9.5522 -9.5522 -8.5561 -8.5561 -8.4944 -8.4944 -8.3287 -8.3287 -8.1659 -8.1659 -5.3548 -5.3548 -2.9584 -2.9584 2.8002 2.8002 3.9714 3.9714 5.0526 5.0526 6.3025 6.3025 7.2553 7.2553 7.3398 7.3398 9.9206 9.9206 10.8772 10.8772 11.3554 11.3554 11.4251 11.4251 k = 0.5000-0.8150-0.6967 ( 3564 PWs) bands (ev): -26.5821 -26.5821 -26.5568 -26.5568 -9.5728 -9.5728 -9.5512 -9.5512 -8.5614 -8.5614 -8.4898 -8.4898 -8.3300 -8.3300 -8.1683 -8.1683 -5.3524 -5.3524 -2.9567 -2.9567 2.8106 2.8106 3.9711 3.9711 5.0014 5.0014 6.3215 6.3215 7.2515 7.2515 7.3409 7.3409 9.9430 9.9430 10.9056 10.9056 11.3340 11.3340 11.4823 11.4823 k = 0.5000-0.8021-0.7182 ( 3568 PWs) bands (ev): -26.5816 -26.5816 -26.5570 -26.5570 -9.5733 -9.5733 -9.5502 -9.5502 -8.5668 -8.5668 -8.4852 -8.4852 -8.3316 -8.3316 -8.1710 -8.1710 -5.3497 -5.3497 -2.9547 -2.9547 2.8225 2.8225 3.9707 3.9707 4.9451 4.9451 6.3431 6.3431 7.2468 7.2468 7.3420 7.3420 9.9687 9.9687 10.9326 10.9326 11.3040 11.3040 11.5579 11.5579 k = 0.5000-0.7891-0.7397 ( 3568 PWs) bands (ev): -26.5811 -26.5811 -26.5572 -26.5572 -9.5737 -9.5737 -9.5492 -9.5492 -8.5723 -8.5723 -8.4806 -8.4806 -8.3332 -8.3332 -8.1740 -8.1740 -5.3468 -5.3468 -2.9527 -2.9527 2.8358 2.8358 3.9702 3.9702 4.8848 4.8848 6.3669 6.3669 7.2409 7.2409 7.3429 7.3429 9.9974 9.9974 10.9577 10.9577 11.2707 11.2707 11.6467 11.6467 k = 0.5000-0.7761-0.7612 ( 3568 PWs) bands (ev): -26.5806 -26.5806 -26.5574 -26.5574 -9.5742 -9.5742 -9.5482 -9.5482 -8.5778 -8.5778 -8.4761 -8.4761 -8.3351 -8.3351 -8.1771 -8.1771 -5.3437 -5.3437 -2.9504 -2.9504 2.8506 2.8506 3.9694 3.9694 4.8215 4.8215 6.3929 6.3929 7.2340 7.2340 7.3437 7.3437 10.0291 10.0291 10.9803 10.9803 11.2360 11.2360 11.7465 11.7465 k = 0.5000-0.7632-0.7828 ( 3570 PWs) bands (ev): -26.5800 -26.5800 -26.5577 -26.5577 -9.5746 -9.5746 -9.5471 -9.5471 -8.5832 -8.5832 -8.4716 -8.4716 -8.3371 -8.3371 -8.1804 -8.1804 -5.3404 -5.3404 -2.9481 -2.9481 2.8667 2.8667 3.9684 3.9684 4.7561 4.7561 6.4208 6.4208 7.2257 7.2257 7.3443 7.3443 10.0635 10.0635 11.0000 11.0000 11.2012 11.2012 11.8543 11.8543 k = 0.5000-0.7502-0.8043 ( 3564 PWs) bands (ev): -26.5793 -26.5793 -26.5580 -26.5580 -9.5751 -9.5751 -9.5461 -9.5461 -8.5886 -8.5886 -8.4671 -8.4671 -8.3392 -8.3392 -8.1838 -8.1838 -5.3369 -5.3369 -2.9458 -2.9458 2.8840 2.8840 3.9670 3.9670 4.6897 4.6897 6.4504 6.4504 7.2161 7.2161 7.3447 7.3447 10.1004 10.1004 11.0154 11.0154 11.1687 11.1687 11.9515 11.9515 k = 0.5000-0.7372-0.8258 ( 3556 PWs) bands (ev): -26.5786 -26.5786 -26.5583 -26.5583 -9.5755 -9.5755 -9.5452 -9.5452 -8.5939 -8.5939 -8.4626 -8.4626 -8.3413 -8.3413 -8.1872 -8.1872 -5.3334 -5.3334 -2.9434 -2.9434 2.9025 2.9025 3.9650 3.9650 4.6232 4.6232 6.4814 6.4814 7.2050 7.2050 7.3449 7.3449 10.1396 10.1396 11.0226 11.0226 11.1431 11.1431 11.9204 11.9204 k = 0.5000-0.7243-0.8473 ( 3560 PWs) bands (ev): -26.5779 -26.5779 -26.5586 -26.5586 -9.5759 -9.5759 -9.5443 -9.5443 -8.5991 -8.5991 -8.4583 -8.4583 -8.3436 -8.3436 -8.1905 -8.1905 -5.3298 -5.3298 -2.9410 -2.9410 2.9220 2.9220 3.9620 3.9620 4.5578 4.5578 6.5137 6.5137 7.1924 7.1924 7.3449 7.3449 10.1807 10.1807 11.0151 11.0151 11.1315 11.1315 11.8523 11.8523 k = 0.5000-0.7113-0.8688 ( 3556 PWs) bands (ev): -26.5771 -26.5771 -26.5590 -26.5590 -9.5763 -9.5763 -9.5435 -9.5435 -8.6041 -8.6041 -8.4540 -8.4540 -8.3459 -8.3459 -8.1938 -8.1938 -5.3262 -5.3262 -2.9387 -2.9387 2.9423 2.9423 3.9578 3.9578 4.4945 4.4945 6.5469 6.5469 7.1783 7.1783 7.3447 7.3447 10.2233 10.2233 10.9921 10.9921 11.1353 11.1353 11.7855 11.7855 k = 0.5000-0.6983-0.8903 ( 3556 PWs) bands (ev): -26.5763 -26.5763 -26.5595 -26.5595 -9.5767 -9.5767 -9.5428 -9.5428 -8.6089 -8.6089 -8.4499 -8.4499 -8.3482 -8.3482 -8.1970 -8.1970 -5.3226 -5.3226 -2.9365 -2.9365 2.9634 2.9634 3.9518 3.9518 4.4346 4.4346 6.5809 6.5809 7.1626 7.1626 7.3444 7.3444 10.2669 10.2669 10.9603 10.9603 11.1481 11.1481 11.7228 11.7228 k = 0.5000-0.6854-0.9118 ( 3568 PWs) bands (ev): -26.5755 -26.5755 -26.5599 -26.5599 -9.5771 -9.5771 -9.5422 -9.5422 -8.6135 -8.6135 -8.4460 -8.4460 -8.3505 -8.3505 -8.1999 -8.1999 -5.3192 -5.3192 -2.9343 -2.9343 2.9848 2.9848 3.9435 3.9435 4.3795 4.3795 6.6153 6.6153 7.1452 7.1452 7.3440 7.3440 10.3109 10.3109 10.9250 10.9250 11.1650 11.1650 11.6652 11.6652 k = 0.5000-0.6724-0.9333 ( 3562 PWs) bands (ev): -26.5746 -26.5746 -26.5604 -26.5604 -9.5774 -9.5774 -9.5417 -9.5417 -8.6178 -8.6178 -8.4424 -8.4424 -8.3527 -8.3527 -8.2027 -8.2027 -5.3159 -5.3159 -2.9323 -2.9323 3.0064 3.0064 3.9322 3.9322 4.3304 4.3304 6.6499 6.6499 7.1265 7.1265 7.3435 7.3435 10.3545 10.3545 10.8885 10.8885 11.1841 11.1841 11.6135 11.6135 k = 0.5000-0.6594-0.9548 ( 3560 PWs) bands (ev): -26.5738 -26.5738 -26.5610 -26.5610 -9.5777 -9.5777 -9.5413 -9.5413 -8.6217 -8.6217 -8.4390 -8.4390 -8.3547 -8.3547 -8.2052 -8.2052 -5.3128 -5.3128 -2.9305 -2.9305 3.0278 3.0278 3.9175 3.9175 4.2885 4.2885 6.6843 6.6843 7.1063 7.1063 7.3429 7.3429 10.3969 10.3969 10.8517 10.8517 11.2043 11.2043 11.5687 11.5687 k = 0.5000-0.6464-0.9764 ( 3566 PWs) bands (ev): -26.5728 -26.5728 -26.5616 -26.5616 -9.5780 -9.5780 -9.5411 -9.5411 -8.6252 -8.6252 -8.4360 -8.4360 -8.3565 -8.3565 -8.2074 -8.2074 -5.3100 -5.3100 -2.9289 -2.9289 3.0485 3.0485 3.8994 3.8994 4.2545 4.2545 6.7183 6.7183 7.0848 7.0848 7.3424 7.3424 10.4369 10.4369 10.8151 10.8151 11.2255 11.2255 11.5317 11.5317 k = 0.5000-0.6335-0.9979 ( 3568 PWs) bands (ev): -26.5719 -26.5719 -26.5622 -26.5622 -9.5783 -9.5783 -9.5409 -9.5409 -8.6284 -8.6284 -8.4335 -8.4335 -8.3580 -8.3580 -8.2092 -8.2092 -5.3075 -5.3075 -2.9275 -2.9275 3.0680 3.0680 3.8787 3.8787 4.2284 4.2284 6.7515 6.7515 7.0621 7.0621 7.3418 7.3418 10.4733 10.4733 10.7788 10.7788 11.2473 11.2473 11.5035 11.5035 k = 0.5000-0.6205-1.0194 ( 3566 PWs) bands (ev): -26.5710 -26.5710 -26.5629 -26.5629 -9.5785 -9.5785 -9.5409 -9.5409 -8.6311 -8.6311 -8.4315 -8.4315 -8.3591 -8.3591 -8.2107 -8.2107 -5.3054 -5.3054 -2.9263 -2.9263 3.0858 3.0858 3.8569 3.8569 4.2096 4.2096 6.7838 6.7838 7.0386 7.0386 7.3413 7.3413 10.5051 10.5051 10.7431 10.7431 11.2698 11.2698 11.4853 11.4853 k = 0.5000-0.6075-1.0409 ( 3570 PWs) bands (ev): -26.5701 -26.5701 -26.5636 -26.5636 -9.5787 -9.5787 -9.5409 -9.5409 -8.6334 -8.6334 -8.4300 -8.4300 -8.3598 -8.3598 -8.2118 -8.2118 -5.3037 -5.3037 -2.9253 -2.9253 3.1010 3.1010 3.8359 3.8359 4.1970 4.1970 6.8148 6.8148 7.0143 7.0143 7.3409 7.3409 10.5310 10.5310 10.7077 10.7077 11.2928 11.2928 11.4777 11.4777 k = 0.5000-0.5946-1.0624 ( 3564 PWs) bands (ev): -26.5691 -26.5691 -26.5644 -26.5644 -9.5789 -9.5789 -9.5410 -9.5410 -8.6352 -8.6352 -8.4292 -8.4292 -8.3600 -8.3600 -8.2125 -8.2125 -5.3025 -5.3025 -2.9246 -2.9246 3.1132 3.1132 3.8178 3.8178 4.1892 4.1892 6.8442 6.8442 6.9898 6.9898 7.3405 7.3405 10.5503 10.5503 10.6728 10.6728 11.3166 11.3166 11.4812 11.4812 k = 0.5000-0.5816-1.0839 ( 3568 PWs) bands (ev): -26.5682 -26.5682 -26.5652 -26.5652 -9.5790 -9.5790 -9.5412 -9.5412 -8.6365 -8.6365 -8.4290 -8.4290 -8.3597 -8.3597 -8.2129 -8.2129 -5.3018 -5.3018 -2.9241 -2.9241 3.1218 3.1218 3.8043 3.8043 4.1851 4.1851 6.8713 6.8713 6.9656 6.9656 7.3404 7.3404 10.5625 10.5625 10.6384 10.6384 11.3412 11.3412 11.4957 11.4957 k = 0.5000-0.5686-1.1054 ( 3570 PWs) bands (ev): -26.5672 -26.5672 -26.5661 -26.5661 -9.5791 -9.5791 -9.5414 -9.5414 -8.6373 -8.6373 -8.4294 -8.4294 -8.3588 -8.3588 -8.2128 -8.2128 -5.3016 -5.3016 -2.9239 -2.9239 3.1264 3.1264 3.7967 3.7967 4.1840 4.1840 6.8942 6.8942 6.9438 6.9438 7.3403 7.3403 10.5673 10.5673 10.6050 10.6050 11.3666 11.3666 11.5205 11.5205 k = 0.5000-0.5557-1.1269 ( 3572 PWs) bands (ev): -26.5670 -26.5670 -26.5663 -26.5663 -9.5792 -9.5792 -9.5416 -9.5416 -8.6376 -8.6376 -8.4304 -8.4304 -8.3574 -8.3574 -8.2124 -8.2124 -5.3021 -5.3021 -2.9240 -2.9240 3.1271 3.1271 3.7954 3.7954 4.1851 4.1851 6.9002 6.9002 6.9371 6.9371 7.3404 7.3404 10.5585 10.5585 10.5795 10.5795 11.3930 11.3930 11.5542 11.5542 k = 0.5000-0.5427-1.1484 ( 3570 PWs) bands (ev): -26.5680 -26.5680 -26.5653 -26.5653 -9.5792 -9.5792 -9.5418 -9.5418 -8.6374 -8.6374 -8.4318 -8.4318 -8.3557 -8.3557 -8.2115 -8.2115 -5.3032 -5.3032 -2.9243 -2.9243 3.1244 3.1244 3.8005 3.8005 4.1881 4.1881 6.8826 6.8826 6.9524 6.9524 7.3407 7.3407 10.5291 10.5291 10.5699 10.5699 11.4204 11.4204 11.5954 11.5954 k = 0.5000-0.5297-1.1700 ( 3568 PWs) bands (ev): -26.5691 -26.5691 -26.5644 -26.5644 -9.5792 -9.5792 -9.5418 -9.5418 -8.6367 -8.6367 -8.4336 -8.4336 -8.3535 -8.3535 -8.2104 -8.2104 -5.3050 -5.3050 -2.9249 -2.9249 3.1190 3.1190 3.8113 3.8113 4.1928 4.1928 6.8605 6.8605 6.9709 6.9709 7.3410 7.3410 10.4949 10.4949 10.5616 10.5616 11.4488 11.4488 11.6422 11.6422 k = 0.8182-0.4477-1.0146 ( 3568 PWs) bands (ev): -26.5691 -26.5691 -26.5644 -26.5644 -9.5792 -9.5792 -9.5418 -9.5418 -8.6367 -8.6367 -8.4336 -8.4336 -8.3535 -8.3535 -8.2104 -8.2104 -5.3050 -5.3050 -2.9249 -2.9249 3.1190 3.1190 3.8113 3.8113 4.1928 4.1928 6.8605 6.8605 6.9709 6.9709 7.3410 7.3410 10.4949 10.4949 10.5616 10.5616 11.4488 11.4488 11.6422 11.6422 k = 0.8119-0.4362-0.9928 ( 3574 PWs) bands (ev): -26.5702 -26.5702 -26.5635 -26.5635 -9.5792 -9.5792 -9.5418 -9.5418 -8.6355 -8.6355 -8.4358 -8.4358 -8.3510 -8.3510 -8.2088 -8.2088 -5.3075 -5.3075 -2.9257 -2.9257 3.1116 3.1116 3.8270 3.8270 4.1995 4.1995 6.8382 6.8382 6.9885 6.9885 7.3414 7.3414 10.4593 10.4593 10.5516 10.5516 11.4785 11.4785 11.6939 11.6939 k = 0.8055-0.4247-0.9709 ( 3572 PWs) bands (ev): -26.5714 -26.5714 -26.5626 -26.5626 -9.5793 -9.5793 -9.5415 -9.5415 -8.6337 -8.6337 -8.4381 -8.4381 -8.3483 -8.3483 -8.2070 -8.2070 -5.3108 -5.3108 -2.9268 -2.9268 3.1034 3.1034 3.8463 3.8463 4.2082 4.2082 6.8170 6.8170 7.0041 7.0041 7.3419 7.3419 10.4233 10.4233 10.5406 10.5406 11.5089 11.5089 11.7479 11.7479 k = 0.7992-0.4131-0.9491 ( 3576 PWs) bands (ev): -26.5726 -26.5726 -26.5617 -26.5617 -9.5793 -9.5793 -9.5409 -9.5409 -8.6315 -8.6315 -8.4406 -8.4406 -8.3453 -8.3453 -8.2048 -8.2048 -5.3149 -5.3149 -2.9282 -2.9282 3.0954 3.0954 3.8675 3.8675 4.2195 4.2195 6.7973 6.7973 7.0175 7.0175 7.3423 7.3423 10.3872 10.3872 10.5293 10.5293 11.5398 11.5398 11.8025 11.8025 k = 0.7928-0.4016-0.9272 ( 3578 PWs) bands (ev): -26.5739 -26.5739 -26.5609 -26.5609 -9.5794 -9.5794 -9.5401 -9.5401 -8.6289 -8.6289 -8.4431 -8.4431 -8.3421 -8.3421 -8.2024 -8.2024 -5.3198 -5.3198 -2.9297 -2.9297 3.0884 3.0884 3.8890 3.8890 4.2340 4.2340 6.7795 6.7795 7.0288 7.0288 7.3424 7.3424 10.3512 10.3512 10.5183 10.5183 11.5708 11.5708 11.8562 11.8562 k = 0.7864-0.3901-0.9054 ( 3574 PWs) bands (ev): -26.5752 -26.5752 -26.5601 -26.5601 -9.5796 -9.5796 -9.5389 -9.5389 -8.6258 -8.6258 -8.4456 -8.4456 -8.3388 -8.3388 -8.1998 -8.1998 -5.3255 -5.3255 -2.9315 -2.9315 3.0831 3.0831 3.9092 3.9092 4.2525 4.2525 6.7638 6.7638 7.0379 7.0379 7.3424 7.3424 10.3154 10.3154 10.5084 10.5084 11.6016 11.6016 11.9074 11.9074 k = 0.7801-0.3785-0.8835 ( 3572 PWs) bands (ev): -26.5766 -26.5766 -26.5593 -26.5593 -9.5799 -9.5799 -9.5372 -9.5372 -8.6223 -8.6223 -8.4481 -8.4481 -8.3353 -8.3353 -8.1970 -8.1970 -5.3320 -5.3320 -2.9336 -2.9336 3.0801 3.0801 3.9266 3.9266 4.2759 4.2759 6.7504 6.7504 7.0449 7.0449 7.3419 7.3419 10.2802 10.2802 10.4998 10.4998 11.6315 11.6315 11.9545 11.9545 k = 0.7737-0.3670-0.8617 ( 3578 PWs) bands (ev): -26.5780 -26.5780 -26.5585 -26.5585 -9.5802 -9.5802 -9.5352 -9.5352 -8.6185 -8.6185 -8.4505 -8.4505 -8.3316 -8.3316 -8.1941 -8.1941 -5.3393 -5.3393 -2.9358 -2.9358 3.0798 3.0798 3.9404 3.9404 4.3045 4.3045 6.7394 6.7394 7.0499 7.0499 7.3410 7.3410 10.2459 10.2459 10.4929 10.4929 11.6601 11.6601 11.9958 11.9958 k = 0.7673-0.3555-0.8398 ( 3574 PWs) bands (ev): -26.5795 -26.5795 -26.5578 -26.5578 -9.5806 -9.5806 -9.5327 -9.5327 -8.6144 -8.6144 -8.4527 -8.4527 -8.3278 -8.3278 -8.1911 -8.1911 -5.3474 -5.3474 -2.9383 -2.9383 3.0825 3.0825 3.9500 3.9500 4.3384 4.3384 6.7309 6.7309 7.0529 7.0529 7.3394 7.3394 10.2127 10.2127 10.4881 10.4881 11.6865 11.6865 12.0301 12.0301 k = 0.7610-0.3439-0.8180 ( 3574 PWs) bands (ev): -26.5811 -26.5811 -26.5571 -26.5571 -9.5810 -9.5810 -9.5297 -9.5297 -8.6100 -8.6100 -8.4547 -8.4547 -8.3238 -8.3238 -8.1880 -8.1880 -5.3562 -5.3562 -2.9410 -2.9410 3.0884 3.0884 3.9555 3.9555 4.3774 4.3774 6.7251 6.7251 7.0540 7.0540 7.3373 7.3373 10.1810 10.1810 10.4856 10.4856 11.7101 11.7101 12.0561 12.0561 k = 0.7546-0.3324-0.7961 ( 3580 PWs) bands (ev): -26.5827 -26.5827 -26.5565 -26.5565 -9.5815 -9.5815 -9.5263 -9.5263 -8.6054 -8.6054 -8.4564 -8.4564 -8.3197 -8.3197 -8.1848 -8.1848 -5.3658 -5.3658 -2.9439 -2.9439 3.0976 3.0976 3.9574 3.9574 4.4207 4.4207 6.7217 6.7217 7.0531 7.0531 7.3344 7.3344 10.1511 10.1511 10.4855 10.4855 11.7302 11.7302 12.0727 12.0727 k = 0.7482-0.3209-0.7743 ( 3580 PWs) bands (ev): -26.5843 -26.5843 -26.5559 -26.5559 -9.5820 -9.5820 -9.5224 -9.5224 -8.6007 -8.6007 -8.4579 -8.4579 -8.3155 -8.3155 -8.1817 -8.1817 -5.3762 -5.3762 -2.9470 -2.9470 3.1102 3.1102 3.9562 3.9562 4.4678 4.4678 6.7210 6.7210 7.0504 7.0504 7.3307 7.3307 10.1234 10.1234 10.4882 10.4882 11.7460 11.7460 12.0797 12.0797 k = 0.7419-0.3093-0.7525 ( 3576 PWs) bands (ev): -26.5860 -26.5860 -26.5553 -26.5553 -9.5825 -9.5825 -9.5180 -9.5180 -8.5959 -8.5959 -8.4589 -8.4589 -8.3110 -8.3110 -8.1785 -8.1785 -5.3872 -5.3872 -2.9502 -2.9502 3.1259 3.1259 3.9526 3.9526 4.5179 4.5179 6.7227 6.7227 7.0457 7.0457 7.3263 7.3263 10.0982 10.0982 10.4936 10.4936 11.7572 11.7572 12.0772 12.0772 k = 0.7355-0.2978-0.7306 ( 3568 PWs) bands (ev): -26.5877 -26.5877 -26.5548 -26.5548 -9.5829 -9.5829 -9.5132 -9.5132 -8.5911 -8.5911 -8.4595 -8.4595 -8.3065 -8.3065 -8.1754 -8.1754 -5.3989 -5.3989 -2.9537 -2.9537 3.1447 3.1447 3.9475 3.9475 4.5705 4.5705 6.7268 6.7268 7.0389 7.0389 7.3212 7.3212 10.0758 10.0758 10.5020 10.5020 11.7633 11.7633 12.0662 12.0662 k = 0.7291-0.2863-0.7088 ( 3558 PWs) bands (ev): -26.5894 -26.5894 -26.5543 -26.5543 -9.5834 -9.5834 -9.5080 -9.5080 -8.5863 -8.5863 -8.4596 -8.4596 -8.3018 -8.3018 -8.1724 -8.1724 -5.4112 -5.4112 -2.9575 -2.9575 3.1663 3.1663 3.9416 3.9416 4.6249 4.6249 6.7330 6.7330 7.0301 7.0301 7.3153 7.3153 10.0565 10.0565 10.5134 10.5134 11.7643 11.7643 12.0479 12.0479 k = 0.7228-0.2748-0.6869 ( 3560 PWs) bands (ev): -26.5912 -26.5912 -26.5539 -26.5539 -9.5838 -9.5838 -9.5024 -9.5024 -8.5817 -8.5817 -8.4591 -8.4591 -8.2969 -8.2969 -8.1695 -8.1695 -5.4241 -5.4241 -2.9614 -2.9614 3.1903 3.1903 3.9357 3.9357 4.6807 4.6807 6.7413 6.7413 7.0191 7.0191 7.3089 7.3089 10.0405 10.0405 10.5279 10.5279 11.7604 11.7604 12.0240 12.0240 k = 0.7164-0.2632-0.6651 ( 3564 PWs) bands (ev): -26.5930 -26.5930 -26.5535 -26.5535 -9.5841 -9.5841 -9.4965 -9.4965 -8.5774 -8.5774 -8.4579 -8.4579 -8.2919 -8.2919 -8.1667 -8.1667 -5.4374 -5.4374 -2.9655 -2.9655 3.2161 3.2161 3.9307 3.9307 4.7376 4.7376 6.7513 6.7513 7.0059 7.0059 7.3018 7.3018 10.0282 10.0282 10.5456 10.5456 11.7520 11.7520 11.9959 11.9959 k = 0.7100-0.2517-0.6432 ( 3570 PWs) bands (ev): -26.5949 -26.5949 -26.5531 -26.5531 -9.5844 -9.5844 -9.4901 -9.4901 -8.5733 -8.5733 -8.4561 -8.4561 -8.2867 -8.2867 -8.1640 -8.1640 -5.4513 -5.4513 -2.9699 -2.9699 3.2431 3.2431 3.9276 3.9276 4.7952 4.7952 6.7630 6.7630 6.9903 6.9903 7.2944 7.2944 10.0196 10.0196 10.5666 10.5666 11.7397 11.7397 11.9651 11.9651 k = 0.7037-0.2402-0.6214 ( 3570 PWs) bands (ev): -26.5967 -26.5967 -26.5528 -26.5528 -9.5846 -9.5846 -9.4835 -9.4835 -8.5696 -8.5696 -8.4535 -8.4535 -8.2814 -8.2814 -8.1614 -8.1614 -5.4655 -5.4655 -2.9745 -2.9745 3.2704 3.2704 3.9274 3.9274 4.8532 4.8532 6.7760 6.7760 6.9723 6.9723 7.2865 7.2865 10.0151 10.0151 10.5907 10.5907 11.7242 11.7242 11.9330 11.9330 k = 0.6973-0.2286-0.5995 ( 3568 PWs) bands (ev): -26.5986 -26.5986 -26.5525 -26.5525 -9.5848 -9.5848 -9.4766 -9.4766 -8.5662 -8.5662 -8.4501 -8.4501 -8.2759 -8.2759 -8.1589 -8.1589 -5.4800 -5.4800 -2.9794 -2.9794 3.2969 3.2969 3.9314 3.9314 4.9113 4.9113 6.7901 6.7901 6.9520 6.9520 7.2784 7.2784 10.0146 10.0146 10.6181 10.6181 11.7065 11.7065 11.9006 11.9006 k = 0.6909-0.2171-0.5777 ( 3564 PWs) bands (ev): -26.6005 -26.6005 -26.5523 -26.5523 -9.5850 -9.5850 -9.4694 -9.4694 -8.5633 -8.5633 -8.4459 -8.4459 -8.2703 -8.2703 -8.1567 -8.1567 -5.4949 -5.4949 -2.9845 -2.9845 3.3215 3.3215 3.9409 3.9409 4.9694 4.9694 6.8050 6.8050 6.9294 6.9294 7.2701 7.2701 10.0184 10.0184 10.6487 10.6487 11.6872 11.6872 11.8687 11.8687 k = 0.6846-0.2056-0.5558 ( 3558 PWs) bands (ev): -26.6024 -26.6024 -26.5521 -26.5521 -9.5850 -9.5850 -9.4620 -9.4620 -8.5608 -8.5608 -8.4410 -8.4410 -8.2645 -8.2645 -8.1545 -8.1545 -5.5099 -5.5099 -2.9898 -2.9898 3.3432 3.3432 3.9570 3.9570 5.0271 5.0271 6.8202 6.8202 6.9048 6.9048 7.2616 7.2616 10.0264 10.0264 10.6824 10.6824 11.6672 11.6672 11.8380 11.8380 k = 0.6782-0.1940-0.5340 ( 3558 PWs) bands (ev): -26.6043 -26.6043 -26.5520 -26.5520 -9.5851 -9.5851 -9.4544 -9.4544 -8.5586 -8.5586 -8.4354 -8.4354 -8.2586 -8.2586 -8.1526 -8.1526 -5.5251 -5.5251 -2.9954 -2.9954 3.3609 3.3609 3.9808 3.9808 5.0843 5.0843 6.8338 6.8338 6.8799 6.8799 7.2531 7.2531 10.0387 10.0387 10.7191 10.7191 11.6472 11.6472 11.8091 11.8091 k = 0.6719-0.1825-0.5122 ( 3562 PWs) bands (ev): -26.6062 -26.6062 -26.5518 -26.5518 -9.5851 -9.5851 -9.4467 -9.4467 -8.5568 -8.5568 -8.4291 -8.4291 -8.2526 -8.2526 -8.1508 -8.1508 -5.5404 -5.5404 -3.0013 -3.0013 3.3742 3.3742 4.0128 4.0128 5.1409 5.1409 6.8337 6.8337 6.8667 6.8667 7.2444 7.2444 10.0552 10.0552 10.7587 10.7587 11.6278 11.6278 11.7823 11.7823 k = 0.6655-0.1710-0.4903 ( 3560 PWs) bands (ev): -26.6081 -26.6081 -26.5517 -26.5517 -9.5851 -9.5851 -9.4388 -9.4388 -8.5553 -8.5553 -8.4223 -8.4223 -8.2465 -8.2465 -8.1491 -8.1491 -5.5557 -5.5557 -3.0074 -3.0074 3.3829 3.3829 4.0530 4.0530 5.1966 5.1966 6.8083 6.8083 6.8770 6.8770 7.2356 7.2356 10.0760 10.0760 10.8010 10.8010 11.6097 11.6097 11.7579 11.7579 k = 0.6591-0.1594-0.4685 ( 3550 PWs) bands (ev): -26.6100 -26.6100 -26.5517 -26.5517 -9.5851 -9.5851 -9.4309 -9.4309 -8.5540 -8.5540 -8.4149 -8.4149 -8.2403 -8.2403 -8.1476 -8.1476 -5.5710 -5.5710 -3.0138 -3.0138 3.3873 3.3873 4.1012 4.1012 5.2513 5.2513 6.7758 6.7758 6.8923 6.8923 7.2268 7.2268 10.1008 10.1008 10.8457 10.8457 11.5932 11.5932 11.7362 11.7362 k = 0.6528-0.1479-0.4466 ( 3550 PWs) bands (ev): -26.6118 -26.6118 -26.5517 -26.5517 -9.5850 -9.5850 -9.4230 -9.4230 -8.5529 -8.5529 -8.4071 -8.4071 -8.2341 -8.2341 -8.1463 -8.1463 -5.5862 -5.5862 -3.0203 -3.0203 3.3882 3.3882 4.1565 4.1565 5.3050 5.3050 6.7409 6.7409 6.9083 6.9083 7.2179 7.2179 10.1296 10.1296 10.8926 10.8926 11.5789 11.5789 11.7171 11.7171 k = 0.6464-0.1364-0.4248 ( 3550 PWs) bands (ev): -26.6137 -26.6137 -26.5517 -26.5517 -9.5850 -9.5850 -9.4150 -9.4150 -8.5520 -8.5520 -8.3990 -8.3990 -8.2278 -8.2278 -8.1450 -8.1450 -5.6012 -5.6012 -3.0272 -3.0272 3.3861 3.3861 4.2180 4.2180 5.3575 5.3575 6.7043 6.7043 6.9241 6.9241 7.2090 7.2090 10.1622 10.1622 10.9412 10.9412 11.5669 11.5669 11.7006 11.7006 k = 0.6400-0.1248-0.4029 ( 3552 PWs) bands (ev): -26.6155 -26.6155 -26.5517 -26.5517 -9.5850 -9.5850 -9.4071 -9.4071 -8.5511 -8.5511 -8.3906 -8.3906 -8.2215 -8.2215 -8.1439 -8.1439 -5.6160 -5.6160 -3.0342 -3.0342 3.3818 3.3818 4.2850 4.2850 5.4088 5.4088 6.6664 6.6664 6.9394 6.9394 7.1999 7.1999 10.1985 10.1985 10.9912 10.9912 11.5575 11.5575 11.6866 11.6866 k = 0.6337-0.1133-0.3811 ( 3548 PWs) bands (ev): -26.6172 -26.6172 -26.5518 -26.5518 -9.5849 -9.5849 -9.3993 -9.3993 -8.5503 -8.5503 -8.3819 -8.3819 -8.2153 -8.2153 -8.1428 -8.1428 -5.6305 -5.6305 -3.0414 -3.0414 3.3759 3.3759 4.3563 4.3563 5.4587 5.4587 6.6277 6.6277 6.9541 6.9541 7.1908 7.1908 10.2381 10.2381 11.0419 11.0419 11.5508 11.5508 11.6746 11.6746 k = 0.6273-0.1018-0.3592 ( 3546 PWs) bands (ev): -26.6190 -26.6190 -26.5518 -26.5518 -9.5849 -9.5849 -9.3916 -9.3916 -8.5496 -8.5496 -8.3731 -8.3731 -8.2091 -8.2091 -8.1417 -8.1417 -5.6448 -5.6448 -3.0487 -3.0487 3.3691 3.3691 4.4313 4.4313 5.5074 5.5074 6.5884 6.5884 6.9679 6.9679 7.1817 7.1817 10.2809 10.2809 11.0928 11.0928 11.5468 11.5468 11.6645 11.6645 k = 0.6209-0.0903-0.3374 ( 3544 PWs) bands (ev): -26.6207 -26.6207 -26.5519 -26.5519 -9.5849 -9.5849 -9.3841 -9.3841 -8.5489 -8.5489 -8.3643 -8.3643 -8.2032 -8.2032 -8.1406 -8.1406 -5.6586 -5.6586 -3.0562 -3.0562 3.3616 3.3616 4.5090 4.5090 5.5547 5.5547 6.5489 6.5489 6.9808 6.9808 7.1725 7.1725 10.3266 10.3266 11.1428 11.1428 11.5456 11.5456 11.6560 11.6560 k = 0.6146-0.0787-0.3155 ( 3538 PWs) bands (ev): -26.6223 -26.6223 -26.5520 -26.5520 -9.5850 -9.5850 -9.3768 -9.3768 -8.5483 -8.5483 -8.3553 -8.3553 -8.1977 -8.1977 -8.1393 -8.1393 -5.6720 -5.6720 -3.0638 -3.0638 3.3539 3.3539 4.5887 4.5887 5.6008 5.6008 6.5094 6.5094 6.9927 6.9927 7.1633 7.1633 10.3747 10.3747 11.1907 11.1907 11.5470 11.5470 11.6492 11.6492 k = 0.6082-0.0672-0.2937 ( 3538 PWs) bands (ev): -26.6239 -26.6239 -26.5521 -26.5521 -9.5850 -9.5850 -9.3697 -9.3697 -8.5476 -8.5476 -8.3464 -8.3464 -8.1925 -8.1925 -8.1378 -8.1378 -5.6850 -5.6850 -3.0714 -3.0714 3.3463 3.3463 4.6696 4.6696 5.6457 5.6457 6.4703 6.4703 7.0035 7.0035 7.1542 7.1542 10.4251 10.4251 11.2348 11.2348 11.5509 11.5509 11.6448 11.6448 k = 0.6018-0.0557-0.2719 ( 3540 PWs) bands (ev): -26.6254 -26.6254 -26.5523 -26.5523 -9.5851 -9.5851 -9.3628 -9.3628 -8.5470 -8.5470 -8.3376 -8.3376 -8.1880 -8.1880 -8.1360 -8.1360 -5.6974 -5.6974 -3.0790 -3.0790 3.3388 3.3388 4.7510 4.7510 5.6895 5.6895 6.4318 6.4318 7.0132 7.0132 7.1451 7.1451 10.4772 10.4772 11.2725 11.2725 11.5570 11.5570 11.6444 11.6444 k = 0.5955-0.0441-0.2500 ( 3534 PWs) bands (ev): -26.6269 -26.6269 -26.5524 -26.5524 -9.5852 -9.5852 -9.3563 -9.3563 -8.5463 -8.5463 -8.3288 -8.3288 -8.1842 -8.1842 -8.1336 -8.1336 -5.7093 -5.7093 -3.0865 -3.0865 3.3317 3.3317 4.8320 4.8320 5.7322 5.7322 6.3943 6.3943 7.0217 7.0217 7.1361 7.1361 10.5305 10.5305 11.3008 11.3008 11.5650 11.5650 11.6508 11.6508 k = 0.5891-0.0326-0.2282 ( 3534 PWs) bands (ev): -26.6282 -26.6282 -26.5525 -26.5525 -9.5853 -9.5853 -9.3500 -9.3500 -8.5457 -8.5457 -8.3202 -8.3202 -8.1813 -8.1813 -8.1308 -8.1308 -5.7206 -5.7206 -3.0940 -3.0940 3.3251 3.3251 4.9118 4.9118 5.7741 5.7741 6.3579 6.3579 7.0290 7.0290 7.1273 7.1273 10.5845 10.5845 11.3171 11.3171 11.5740 11.5740 11.6664 11.6664 k = 0.5827-0.0211-0.2063 ( 3524 PWs) bands (ev): -26.6296 -26.6296 -26.5527 -26.5527 -9.5855 -9.5855 -9.3442 -9.3442 -8.5450 -8.5450 -8.3117 -8.3117 -8.1793 -8.1793 -8.1274 -8.1274 -5.7312 -5.7312 -3.1012 -3.1012 3.3189 3.3189 4.9897 4.9897 5.8151 5.8151 6.3232 6.3232 7.0351 7.0351 7.1188 7.1188 10.6385 10.6385 11.3209 11.3209 11.5832 11.5832 11.6921 11.6921 k = 0.5764-0.0095-0.1845 ( 3522 PWs) bands (ev): -26.6308 -26.6308 -26.5528 -26.5528 -9.5856 -9.5856 -9.3386 -9.3386 -8.5444 -8.5444 -8.3034 -8.3034 -8.1781 -8.1781 -8.1236 -8.1236 -5.7412 -5.7412 -3.1083 -3.1083 3.3134 3.3134 5.0647 5.0647 5.8552 5.8552 6.2902 6.2902 7.0402 7.0402 7.1105 7.1105 10.6916 10.6916 11.3142 11.3142 11.5917 11.5917 11.7257 11.7257 k = 0.5700 0.0020-0.1626 ( 3520 PWs) bands (ev): -26.6319 -26.6319 -26.5530 -26.5530 -9.5858 -9.5858 -9.3335 -9.3335 -8.5438 -8.5438 -8.2954 -8.2954 -8.1778 -8.1778 -8.1194 -8.1194 -5.7505 -5.7505 -3.1151 -3.1151 3.3084 3.3084 5.1360 5.1360 5.8945 5.8945 6.2595 6.2595 7.0442 7.0442 7.1025 7.1025 10.7428 10.7428 11.3000 11.3000 11.5986 11.5986 11.7629 11.7629 k = 0.5636 0.0135-0.1408 ( 3518 PWs) bands (ev): -26.6330 -26.6330 -26.5531 -26.5531 -9.5860 -9.5860 -9.3287 -9.3287 -8.5432 -8.5432 -8.2876 -8.2876 -8.1781 -8.1781 -8.1151 -8.1151 -5.7591 -5.7591 -3.1215 -3.1215 3.3039 3.3039 5.2029 5.2029 5.9327 5.9327 6.2315 6.2315 7.0472 7.0472 7.0949 7.0949 10.7910 10.7910 11.2812 11.2812 11.6033 11.6033 11.7985 11.7985 k = 0.5573 0.0251-0.1189 ( 3516 PWs) bands (ev): -26.6340 -26.6340 -26.5532 -26.5532 -9.5862 -9.5862 -9.3244 -9.3244 -8.5427 -8.5427 -8.2801 -8.2801 -8.1791 -8.1791 -8.1108 -8.1108 -5.7670 -5.7670 -3.1276 -3.1276 3.3001 3.3001 5.2645 5.2645 5.9691 5.9691 6.2068 6.2068 7.0494 7.0494 7.0878 7.0878 10.8348 10.8348 11.2603 11.2603 11.6053 11.6053 11.8272 11.8272 k = 0.5509 0.0366-0.0971 ( 3514 PWs) bands (ev): -26.6349 -26.6349 -26.5534 -26.5534 -9.5864 -9.5864 -9.3205 -9.3205 -8.5422 -8.5422 -8.2730 -8.2730 -8.1805 -8.1805 -8.1065 -8.1065 -5.7741 -5.7741 -3.1331 -3.1331 3.2967 3.2967 5.3203 5.3203 6.0025 6.0025 6.1865 6.1865 7.0508 7.0508 7.0812 7.0812 10.8725 10.8725 11.2389 11.2389 11.6049 11.6049 11.8459 11.8459 k = 0.5446 0.0481-0.0752 ( 3508 PWs) bands (ev): -26.6356 -26.6356 -26.5535 -26.5535 -9.5865 -9.5865 -9.3170 -9.3170 -8.5417 -8.5417 -8.2662 -8.2662 -8.1822 -8.1822 -8.1026 -8.1026 -5.7804 -5.7804 -3.1382 -3.1382 3.2939 3.2939 5.3698 5.3698 6.0305 6.0305 6.1727 6.1727 7.0515 7.0515 7.0752 7.0752 10.9030 10.9030 11.2179 11.2179 11.6034 11.6034 11.8553 11.8553 k = 0.5382 0.0596-0.0534 ( 3516 PWs) bands (ev): -26.6363 -26.6363 -26.5536 -26.5536 -9.5867 -9.5867 -9.3140 -9.3140 -8.5413 -8.5413 -8.2599 -8.2599 -8.1843 -8.1843 -8.0989 -8.0989 -5.7859 -5.7859 -3.1427 -3.1427 3.2915 3.2915 5.4127 5.4127 6.0495 6.0495 6.1684 6.1684 7.0515 7.0515 7.0700 7.0700 10.9251 10.9251 11.1982 11.1982 11.6031 11.6031 11.8583 11.8583 k = 0.5318 0.0712-0.0316 ( 3516 PWs) bands (ev): -26.6369 -26.6369 -26.5537 -26.5537 -9.5868 -9.5868 -9.3114 -9.3114 -8.5409 -8.5409 -8.2540 -8.2540 -8.1865 -8.1865 -8.0957 -8.0957 -5.7905 -5.7905 -3.1466 -3.1466 3.2896 3.2896 5.4488 5.4488 6.0572 6.0572 6.1752 6.1752 7.0510 7.0510 7.0657 7.0657 10.9389 10.9389 11.1802 11.1802 11.6061 11.6061 11.8576 11.8576 k = 0.5255 0.0827-0.0097 ( 3514 PWs) bands (ev): -26.6374 -26.6374 -26.5537 -26.5537 -9.5870 -9.5870 -9.3093 -9.3093 -8.5406 -8.5406 -8.2488 -8.2488 -8.1888 -8.1888 -8.0930 -8.0930 -5.7944 -5.7944 -3.1499 -3.1499 3.2880 3.2880 5.4783 5.4783 6.0565 6.0565 6.1894 6.1894 7.0500 7.0500 7.0624 7.0624 10.9456 10.9456 11.1644 11.1644 11.6134 11.6134 11.8551 11.8551 k = 0.5191 0.0942 0.0121 ( 3516 PWs) bands (ev): -26.6378 -26.6378 -26.5538 -26.5538 -9.5871 -9.5871 -9.3077 -9.3077 -8.5404 -8.5404 -8.2444 -8.2444 -8.1909 -8.1909 -8.0908 -8.0908 -5.7974 -5.7974 -3.1524 -3.1524 3.2869 3.2869 5.5010 5.5010 6.0523 6.0523 6.2052 6.2052 7.0487 7.0487 7.0602 7.0602 10.9472 10.9472 11.1514 11.1514 11.6241 11.6241 11.8520 11.8520 k = 0.5127 0.1058 0.0340 ( 3518 PWs) bands (ev): -26.6380 -26.6380 -26.5538 -26.5538 -9.5871 -9.5871 -9.3065 -9.3065 -8.5402 -8.5402 -8.2409 -8.2409 -8.1928 -8.1928 -8.0893 -8.0893 -5.7995 -5.7995 -3.1543 -3.1543 3.2861 3.2861 5.5172 5.5172 6.0479 6.0479 6.2186 6.2186 7.0474 7.0474 7.0588 7.0588 10.9462 10.9462 11.1416 11.1416 11.6358 11.6358 11.8487 11.8487 k = 0.5064 0.1173 0.0558 ( 3522 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5872 -9.5872 -9.3058 -9.3058 -8.5401 -8.5401 -8.2387 -8.2387 -8.1940 -8.1940 -8.0883 -8.0883 -5.8008 -5.8008 -3.1554 -3.1554 3.2856 3.2856 5.5268 5.5268 6.0448 6.0448 6.2273 6.2273 7.0465 7.0465 7.0580 7.0580 10.9445 10.9445 11.1356 11.1356 11.6451 11.6451 11.8452 11.8452 k = 0.5000 0.1288 0.0777 ( 3510 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5872 -9.5872 -9.3056 -9.3056 -8.5401 -8.5401 -8.2379 -8.2379 -8.1945 -8.1945 -8.0880 -8.0880 -5.8012 -5.8012 -3.1558 -3.1558 3.2854 3.2854 5.5301 5.5301 6.0437 6.0437 6.2303 6.2303 7.0462 7.0462 7.0578 7.0578 10.9438 10.9438 11.1336 11.1336 11.6487 11.6487 11.8433 11.8433 k = 0.5000 0.1288 0.0777 ( 3510 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5872 -9.5872 -9.3056 -9.3056 -8.5401 -8.5401 -8.2379 -8.2379 -8.1945 -8.1945 -8.0880 -8.0880 -5.8012 -5.8012 -3.1558 -3.1558 3.2854 3.2854 5.5301 5.5301 6.0437 6.0437 6.2303 6.2303 7.0462 7.0462 7.0578 7.0578 10.9438 10.9438 11.1336 11.1336 11.6487 11.6487 11.8433 11.8433 k = 0.4762 0.1227 0.0740 ( 3525 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5874 -9.5874 -9.3054 -9.3054 -8.5404 -8.5404 -8.2374 -8.2374 -8.1945 -8.1945 -8.0880 -8.0880 -5.8017 -5.8017 -3.1555 -3.1555 3.2848 3.2848 5.5294 5.5294 6.0468 6.0468 6.2296 6.2296 7.0468 7.0468 7.0589 7.0589 10.9444 10.9444 11.1011 11.1011 11.6769 11.6769 11.8409 11.8409 k = 0.4524 0.1166 0.0703 ( 3519 PWs) bands (ev): -26.6383 -26.6383 -26.5539 -26.5539 -9.5881 -9.5881 -9.3048 -9.3048 -8.5412 -8.5412 -8.2357 -8.2357 -8.1945 -8.1945 -8.0880 -8.0880 -5.8032 -5.8032 -3.1546 -3.1546 3.2828 3.2828 5.5274 5.5274 6.0560 6.0560 6.2275 6.2275 7.0487 7.0487 7.0623 7.0623 10.9446 10.9446 11.0212 11.0212 11.7448 11.7448 11.8341 11.8341 k = 0.4286 0.1104 0.0666 ( 3519 PWs) bands (ev): -26.6383 -26.6383 -26.5538 -26.5538 -9.5892 -9.5892 -9.3039 -9.3039 -8.5426 -8.5426 -8.2330 -8.2330 -8.1945 -8.1945 -8.0880 -8.0880 -5.8055 -5.8055 -3.1531 -3.1531 3.2797 3.2797 5.5243 5.5243 6.0711 6.0711 6.2240 6.2240 7.0518 7.0518 7.0679 7.0679 10.9008 10.9008 10.9615 10.9615 11.8211 11.8211 11.8231 11.8231 k = 0.4048 0.1043 0.0629 ( 3519 PWs) bands (ev): -26.6383 -26.6383 -26.5538 -26.5538 -9.5907 -9.5907 -9.3027 -9.3027 -8.5445 -8.5445 -8.2292 -8.2292 -8.1945 -8.1945 -8.0880 -8.0880 -5.8087 -5.8087 -3.1510 -3.1510 3.2754 3.2754 5.5203 5.5203 6.0917 6.0917 6.2193 6.2193 7.0560 7.0560 7.0754 7.0754 10.7849 10.7849 10.9636 10.9636 11.8085 11.8085 11.8191 11.8191 k = 0.3810 0.0982 0.0592 ( 3507 PWs) bands (ev): -26.6383 -26.6383 -26.5538 -26.5538 -9.5926 -9.5926 -9.3012 -9.3012 -8.5468 -8.5468 -8.2247 -8.2247 -8.1944 -8.1944 -8.0880 -8.0880 -5.8127 -5.8127 -3.1484 -3.1484 3.2701 3.2701 5.5154 5.5154 6.1175 6.1175 6.2136 6.2136 7.0613 7.0613 7.0848 7.0848 10.6595 10.6595 10.9713 10.9713 11.7910 11.7910 11.8029 11.8029 k = 0.3571 0.0920 0.0555 ( 3495 PWs) bands (ev): -26.6383 -26.6383 -26.5538 -26.5538 -9.5948 -9.5948 -9.2994 -9.2994 -8.5494 -8.5494 -8.2193 -8.2193 -8.1944 -8.1944 -8.0880 -8.0880 -5.8174 -5.8174 -3.1454 -3.1454 3.2639 3.2639 5.5100 5.5100 6.1479 6.1479 6.2070 6.2070 7.0675 7.0675 7.0957 7.0957 10.5313 10.5313 10.9814 10.9814 11.7714 11.7714 11.7842 11.7842 k = 0.3333 0.0859 0.0518 ( 3498 PWs) bands (ev): -26.6383 -26.6383 -26.5538 -26.5538 -9.5972 -9.5972 -9.2975 -9.2975 -8.5522 -8.5522 -8.2134 -8.2134 -8.1944 -8.1944 -8.0881 -8.0881 -5.8226 -5.8226 -3.1421 -3.1421 3.2569 3.2569 5.5042 5.5042 6.1824 6.1824 6.1998 6.1998 7.0745 7.0745 7.1077 7.1077 10.4029 10.4029 10.9932 10.9932 11.7503 11.7503 11.7640 11.7640 k = 0.3095 0.0798 0.0481 ( 3499 PWs) bands (ev): -26.6384 -26.6384 -26.5537 -26.5537 -9.5998 -9.5998 -9.2954 -9.2954 -8.5552 -8.5552 -8.2070 -8.2070 -8.1944 -8.1944 -8.0881 -8.0881 -5.8284 -5.8284 -3.1384 -3.1384 3.2494 3.2494 5.4983 5.4983 6.1921 6.1921 6.2204 6.2204 7.0821 7.0821 7.1207 7.1207 10.2758 10.2758 11.0065 11.0065 11.7283 11.7283 11.7429 11.7429 k = 0.2857 0.0736 0.0444 ( 3499 PWs) bands (ev): -26.6384 -26.6384 -26.5537 -26.5537 -9.6025 -9.6025 -9.2932 -9.2932 -8.5583 -8.5583 -8.2004 -8.2004 -8.1943 -8.1943 -8.0881 -8.0881 -5.8345 -5.8345 -3.1345 -3.1345 3.2416 3.2416 5.4923 5.4923 6.1841 6.1841 6.2613 6.2613 7.0903 7.0903 7.1343 7.1343 10.1513 10.1513 11.0213 11.0213 11.7062 11.7062 11.7216 11.7216 k = 0.2619 0.0675 0.0407 ( 3508 PWs) bands (ev): -26.6384 -26.6384 -26.5537 -26.5537 -9.6052 -9.6052 -9.2910 -9.2910 -8.5614 -8.5614 -8.1943 -8.1943 -8.1936 -8.1936 -8.0881 -8.0881 -5.8409 -5.8409 -3.1305 -3.1305 3.2335 3.2335 5.4864 5.4864 6.1760 6.1760 6.3043 6.3043 7.0987 7.0987 7.1482 7.1482 10.0305 10.0305 11.0371 11.0371 11.6844 11.6844 11.7006 11.7006 k = 0.2381 0.0613 0.0370 ( 3508 PWs) bands (ev): -26.6384 -26.6384 -26.5536 -26.5536 -9.6080 -9.6080 -9.2888 -9.2888 -8.5644 -8.5644 -8.1943 -8.1943 -8.1868 -8.1868 -8.0882 -8.0882 -5.8473 -5.8473 -3.1264 -3.1264 3.2255 3.2255 5.4808 5.4808 6.1681 6.1681 6.3489 6.3489 7.1074 7.1074 7.1621 7.1621 9.9143 9.9143 11.0539 11.0539 11.6633 11.6633 11.6802 11.6802 k = 0.2143 0.0552 0.0333 ( 3508 PWs) bands (ev): -26.6385 -26.6385 -26.5536 -26.5536 -9.6106 -9.6106 -9.2867 -9.2867 -8.5673 -8.5673 -8.1942 -8.1942 -8.1802 -8.1802 -8.0882 -8.0882 -5.8536 -5.8536 -3.1224 -3.1224 3.2176 3.2176 5.4754 5.4754 6.1604 6.1604 6.3940 6.3940 7.1160 7.1160 7.1757 7.1757 9.8039 9.8039 11.0712 11.0712 11.6432 11.6432 11.6609 11.6609 k = 0.1905 0.0491 0.0296 ( 3514 PWs) bands (ev): -26.6385 -26.6385 -26.5536 -26.5536 -9.6132 -9.6132 -9.2847 -9.2847 -8.5700 -8.5700 -8.1942 -8.1942 -8.1738 -8.1738 -8.0882 -8.0882 -5.8598 -5.8598 -3.1186 -3.1186 3.2101 3.2101 5.4704 5.4704 6.1532 6.1532 6.4387 6.4387 7.1245 7.1245 7.1886 7.1886 9.7003 9.7003 11.0887 11.0887 11.6246 11.6246 11.6429 11.6429 k = 0.1667 0.0429 0.0259 ( 3505 PWs) bands (ev): -26.6385 -26.6385 -26.5536 -26.5536 -9.6156 -9.6156 -9.2828 -9.2828 -8.5725 -8.5725 -8.1942 -8.1942 -8.1679 -8.1679 -8.0883 -8.0883 -5.8656 -5.8656 -3.1150 -3.1150 3.2030 3.2030 5.4659 5.4659 6.1465 6.1465 6.4822 6.4822 7.1325 7.1325 7.2008 7.2008 9.6046 9.6046 11.1061 11.1061 11.6076 11.6076 11.6265 11.6265 k = 0.1429 0.0368 0.0222 ( 3493 PWs) bands (ev): -26.6385 -26.6385 -26.5535 -26.5535 -9.6177 -9.6177 -9.2811 -9.2811 -8.5747 -8.5747 -8.1942 -8.1942 -8.1625 -8.1625 -8.0883 -8.0883 -5.8709 -5.8709 -3.1117 -3.1117 3.1966 3.1966 5.4618 5.4618 6.1405 6.1405 6.5233 6.5233 7.1401 7.1401 7.2118 7.2118 9.5181 9.5181 11.1228 11.1228 11.5925 11.5925 11.6120 11.6120 k = 0.1190 0.0307 0.0185 ( 3499 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6196 -9.6196 -9.2796 -9.2796 -8.5766 -8.5766 -8.1941 -8.1941 -8.1577 -8.1577 -8.0883 -8.0883 -5.8756 -5.8756 -3.1088 -3.1088 3.1910 3.1910 5.4583 5.4583 6.1352 6.1352 6.5607 6.5607 7.1469 7.1469 7.2215 7.2215 9.4418 9.4418 11.1383 11.1383 11.5795 11.5795 11.5994 11.5994 k = 0.0952 0.0245 0.0148 ( 3499 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6212 -9.6212 -9.2784 -9.2784 -8.5782 -8.5782 -8.1941 -8.1941 -8.1537 -8.1537 -8.0883 -8.0883 -5.8796 -5.8796 -3.1063 -3.1063 3.1862 3.1862 5.4554 5.4554 6.1308 6.1308 6.5935 6.5935 7.1528 7.1528 7.2297 7.2297 9.3771 9.3771 11.1520 11.1520 11.5686 11.5686 11.5889 11.5889 k = 0.0714 0.0184 0.0111 ( 3499 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6224 -9.6224 -9.2774 -9.2774 -8.5795 -8.5795 -8.1941 -8.1941 -8.1505 -8.1505 -8.0883 -8.0883 -5.8828 -5.8828 -3.1043 -3.1043 3.1824 3.1824 5.4531 5.4531 6.1273 6.1273 6.6203 6.6203 7.1576 7.1576 7.2363 7.2363 9.3253 9.3253 11.1635 11.1635 11.5601 11.5601 11.5807 11.5807 k = 0.0476 0.0123 0.0074 ( 3496 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6234 -9.6234 -9.2767 -9.2767 -8.5804 -8.5804 -8.1941 -8.1941 -8.1481 -8.1481 -8.0883 -8.0883 -5.8852 -5.8852 -3.1028 -3.1028 3.1797 3.1797 5.4514 5.4514 6.1248 6.1248 6.6404 6.6404 7.1612 7.1612 7.2411 7.2411 9.2873 9.2873 11.1722 11.1722 11.5539 11.5539 11.5747 11.5747 k = 0.0238 0.0061 0.0037 ( 3490 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6239 -9.6239 -9.2762 -9.2762 -8.5810 -8.5810 -8.1941 -8.1941 -8.1467 -8.1467 -8.0884 -8.0884 -5.8866 -5.8866 -3.1019 -3.1019 3.1780 3.1780 5.4504 5.4504 6.1233 6.1233 6.6527 6.6527 7.1634 7.1634 7.2440 7.2440 9.2641 9.2641 11.1776 11.1776 11.5502 11.5502 11.5711 11.5711 k = 0.0000 0.0000 0.0000 ( 3493 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6241 -9.6241 -9.2761 -9.2761 -8.5812 -8.5812 -8.1941 -8.1941 -8.1462 -8.1462 -8.0884 -8.0884 -5.8871 -5.8871 -3.1016 -3.1016 3.1774 3.1774 5.4501 5.4501 6.1227 6.1227 6.6569 6.6569 7.1642 7.1642 7.2450 7.2450 9.2563 9.2563 11.1794 11.1794 11.5489 11.5489 11.5699 11.5699 k = 0.0000 0.0000 0.0000 ( 3493 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6241 -9.6241 -9.2761 -9.2761 -8.5812 -8.5812 -8.1941 -8.1941 -8.1462 -8.1462 -8.0884 -8.0884 -5.8871 -5.8871 -3.1016 -3.1016 3.1774 3.1774 5.4501 5.4501 6.1227 6.1227 6.6569 6.6569 7.1642 7.1642 7.2450 7.2450 9.2563 9.2563 11.1794 11.1794 11.5489 11.5489 11.5699 11.5699 k = 0.0063-0.0114-0.0217 ( 3496 PWs) bands (ev): -26.6386 -26.6386 -26.5535 -26.5535 -9.6240 -9.6240 -9.2764 -9.2764 -8.5812 -8.5812 -8.1947 -8.1947 -8.1460 -8.1460 -8.0888 -8.0888 -5.8864 -5.8864 -3.1015 -3.1015 3.1782 3.1782 5.4477 5.4477 6.1201 6.1201 6.6574 6.6574 7.1625 7.1625 7.2425 7.2425 9.2616 9.2616 11.1851 11.1851 11.5437 11.5437 11.5679 11.5679 k = 0.0126-0.0229-0.0433 ( 3500 PWs) bands (ev): -26.6384 -26.6384 -26.5534 -26.5534 -9.6238 -9.6238 -9.2772 -9.2772 -8.5812 -8.5812 -8.1966 -8.1966 -8.1455 -8.1455 -8.0900 -8.0900 -5.8844 -5.8844 -3.1009 -3.1009 3.1804 3.1804 5.4405 5.4405 6.1124 6.1124 6.6590 6.6590 7.1569 7.1569 7.2358 7.2358 9.2772 9.2772 11.2019 11.2019 11.5202 11.5202 11.5712 11.5712 k = 0.0189-0.0343-0.0650 ( 3502 PWs) bands (ev): -26.6381 -26.6381 -26.5534 -26.5534 -9.6234 -9.6234 -9.2785 -9.2785 -8.5812 -8.5812 -8.1995 -8.1995 -8.1447 -8.1447 -8.0919 -8.0919 -5.8810 -5.8810 -3.1000 -3.1000 3.1841 3.1841 5.4285 5.4285 6.0996 6.0996 6.6617 6.6617 7.1463 7.1463 7.2267 7.2267 9.3026 9.3026 11.2293 11.2293 11.4792 11.4792 11.5822 11.5822 k = 0.0253-0.0457-0.0867 ( 3500 PWs) bands (ev): -26.6378 -26.6378 -26.5533 -26.5533 -9.6228 -9.6228 -9.2804 -9.2804 -8.5811 -8.5811 -8.2034 -8.2034 -8.1439 -8.1439 -8.0945 -8.0945 -5.8763 -5.8763 -3.0987 -3.0987 3.1893 3.1893 5.4112 5.4112 6.0822 6.0822 6.6654 6.6654 7.1294 7.1294 7.2176 7.2176 9.3370 9.3370 11.2660 11.2660 11.4264 11.4264 11.5994 11.5994 k = 0.0316-0.0572-0.1083 ( 3502 PWs) bands (ev): -26.6373 -26.6373 -26.5533 -26.5533 -9.6221 -9.6221 -9.2828 -9.2828 -8.5811 -8.5811 -8.2081 -8.2081 -8.1433 -8.1433 -8.0977 -8.0977 -5.8703 -5.8703 -3.0971 -3.0971 3.1958 3.1958 5.3887 5.3887 6.0605 6.0605 6.6702 6.6702 7.1058 7.1058 7.2100 7.2100 9.3796 9.3796 11.3101 11.3101 11.3658 11.3658 11.6230 11.6230 k = 0.0379-0.0686-0.1300 ( 3502 PWs) bands (ev): -26.6367 -26.6367 -26.5532 -26.5532 -9.6213 -9.6213 -9.2858 -9.2858 -8.5811 -8.5811 -8.2135 -8.2135 -8.1431 -8.1431 -8.1013 -8.1013 -5.8631 -5.8631 -3.0951 -3.0951 3.2037 3.2037 5.3604 5.3604 6.0351 6.0351 6.6761 6.6761 7.0769 7.0769 7.2043 7.2043 9.4295 9.4295 11.2979 11.2979 11.3617 11.3617 11.6539 11.6539 k = 0.0442-0.0801-0.1517 ( 3506 PWs) bands (ev): -26.6360 -26.6360 -26.5531 -26.5531 -9.6203 -9.6203 -9.2892 -9.2892 -8.5810 -8.5810 -8.2195 -8.2195 -8.1435 -8.1435 -8.1050 -8.1050 -5.8547 -5.8547 -3.0928 -3.0928 3.2129 3.2129 5.3263 5.3263 6.0065 6.0065 6.6830 6.6830 7.0442 7.0442 7.1999 7.1999 9.4855 9.4855 11.2285 11.2285 11.4142 11.4142 11.6936 11.6936 k = 0.0505-0.0915-0.1733 ( 3506 PWs) bands (ev): -26.6353 -26.6353 -26.5530 -26.5530 -9.6192 -9.6192 -9.2932 -9.2932 -8.5809 -8.5809 -8.2261 -8.2261 -8.1449 -8.1449 -8.1086 -8.1086 -5.8452 -5.8452 -3.0902 -3.0902 3.2232 3.2232 5.2861 5.2861 5.9753 5.9753 6.6910 6.6910 7.0095 7.0095 7.1966 7.1966 9.5469 9.5469 11.1570 11.1570 11.4669 11.4669 11.7433 11.7433 k = 0.0568-0.1029-0.1950 ( 3514 PWs) bands (ev): -26.6344 -26.6344 -26.5529 -26.5529 -9.6180 -9.6180 -9.2976 -9.2976 -8.5808 -8.5808 -8.2332 -8.2332 -8.1474 -8.1474 -8.1117 -8.1117 -5.8345 -5.8345 -3.0873 -3.0873 3.2346 3.2346 5.2398 5.2398 5.9422 5.9422 6.7000 6.7000 6.9740 6.9740 7.1940 7.1940 9.6129 9.6129 11.0847 11.0847 11.5172 11.5172 11.8039 11.8039 k = 0.0631-0.1144-0.2167 ( 3518 PWs) bands (ev): -26.6334 -26.6334 -26.5527 -26.5527 -9.6167 -9.6167 -9.3025 -9.3025 -8.5806 -8.5806 -8.2408 -8.2408 -8.1512 -8.1512 -8.1143 -8.1143 -5.8229 -5.8229 -3.0841 -3.0841 3.2470 3.2470 5.1874 5.1874 5.9075 5.9075 6.7099 6.7099 6.9387 6.9387 7.1920 7.1920 9.6826 9.6826 11.0127 11.0127 11.5637 11.5637 11.8745 11.8745 k = 0.0694-0.1258-0.2383 ( 3522 PWs) bands (ev): -26.6324 -26.6324 -26.5526 -26.5526 -9.6153 -9.6153 -9.3079 -9.3079 -8.5804 -8.5804 -8.2489 -8.2489 -8.1563 -8.1563 -8.1162 -8.1162 -5.8103 -5.8103 -3.0806 -3.0806 3.2602 3.2602 5.1293 5.1293 5.8718 5.8718 6.7207 6.7207 6.9044 6.9044 7.1907 7.1907 9.7556 9.7556 10.9418 10.9418 11.6062 11.6062 11.9530 11.9530 k = 0.0758-0.1372-0.2600 ( 3522 PWs) bands (ev): -26.6313 -26.6313 -26.5525 -26.5525 -9.6139 -9.6139 -9.3137 -9.3137 -8.5801 -8.5801 -8.2573 -8.2573 -8.1624 -8.1624 -8.1176 -8.1176 -5.7969 -5.7969 -3.0768 -3.0768 3.2742 3.2742 5.0659 5.0659 5.8353 5.8353 6.7324 6.7324 6.8716 6.8716 7.1899 7.1899 9.8311 9.8311 10.8724 10.8724 11.6447 11.6447 12.0350 12.0350 k = 0.0821-0.1487-0.2817 ( 3530 PWs) bands (ev): -26.6300 -26.6300 -26.5523 -26.5523 -9.6124 -9.6124 -9.3200 -9.3200 -8.5798 -8.5798 -8.2662 -8.2662 -8.1692 -8.1692 -8.1188 -8.1188 -5.7826 -5.7826 -3.0729 -3.0729 3.2887 3.2887 4.9979 4.9979 5.7980 5.7980 6.7449 6.7449 6.8406 6.8406 7.1898 7.1898 9.9086 9.9086 10.8052 10.8052 11.6785 11.6785 12.1045 12.1045 k = 0.0884-0.1601-0.3033 ( 3530 PWs) bands (ev): -26.6287 -26.6287 -26.5522 -26.5522 -9.6108 -9.6108 -9.3266 -9.3266 -8.5794 -8.5794 -8.2754 -8.2754 -8.1766 -8.1766 -8.1198 -8.1198 -5.7677 -5.7677 -3.0686 -3.0686 3.3035 3.3035 4.9260 4.9260 5.7600 5.7600 6.7581 6.7581 6.8118 6.8118 7.1903 7.1903 9.9877 9.9877 10.7404 10.7404 11.7060 11.7060 12.1327 12.1327 k = 0.0947-0.1715-0.3250 ( 3536 PWs) bands (ev): -26.6274 -26.6274 -26.5521 -26.5521 -9.6093 -9.6093 -9.3336 -9.3336 -8.5788 -8.5788 -8.2849 -8.2849 -8.1843 -8.1843 -8.1207 -8.1207 -5.7521 -5.7521 -3.0642 -3.0642 3.3186 3.3186 4.8511 4.8511 5.7212 5.7212 6.7714 6.7714 6.7856 6.7856 7.1915 7.1915 10.0678 10.0678 10.6784 10.6784 11.7239 11.7239 12.1476 12.1476 k = 0.1010-0.1830-0.3467 ( 3532 PWs) bands (ev): -26.6259 -26.6259 -26.5520 -26.5520 -9.6077 -9.6077 -9.3410 -9.3410 -8.5782 -8.5782 -8.2948 -8.2948 -8.1922 -8.1922 -8.1218 -8.1218 -5.7360 -5.7360 -3.0596 -3.0596 3.3337 3.3337 4.7740 4.7740 5.6816 5.6816 6.7600 6.7600 6.7870 6.7870 7.1933 7.1933 10.1485 10.1485 10.6196 10.6196 11.7281 11.7281 12.1590 12.1590 k = 0.1073-0.1944-0.3683 ( 3528 PWs) bands (ev): -26.6244 -26.6244 -26.5518 -26.5518 -9.6061 -9.6061 -9.3486 -9.3486 -8.5775 -8.5775 -8.3049 -8.3049 -8.2002 -8.2002 -8.1229 -8.1229 -5.7193 -5.7193 -3.0549 -3.0549 3.3485 3.3485 4.6956 4.6956 5.6410 5.6410 6.7381 6.7381 6.8017 6.8017 7.1959 7.1959 10.2293 10.2293 10.5642 10.5642 11.7154 11.7154 12.1685 12.1685 k = 0.1136-0.2059-0.3900 ( 3534 PWs) bands (ev): -26.6228 -26.6228 -26.5517 -26.5517 -9.6045 -9.6045 -9.3566 -9.3566 -8.5767 -8.5767 -8.3153 -8.3153 -8.2082 -8.2082 -8.1242 -8.1242 -5.7023 -5.7023 -3.0499 -3.0499 3.3628 3.3628 4.6169 4.6169 5.5992 5.5992 6.7184 6.7184 6.8170 6.8170 7.1991 7.1991 10.3098 10.3098 10.5123 10.5123 11.6862 11.6862 12.1807 12.1807 k = 0.1199-0.2173-0.4117 ( 3532 PWs) bands (ev): -26.6212 -26.6212 -26.5516 -26.5516 -9.6030 -9.6030 -9.3647 -9.3647 -8.5758 -8.5758 -8.3257 -8.3257 -8.2161 -8.2161 -8.1257 -8.1257 -5.6849 -5.6849 -3.0449 -3.0449 3.3763 3.3763 4.5386 4.5386 5.5562 5.5562 6.7009 6.7009 6.8326 6.8326 7.2030 7.2030 10.3893 10.3893 10.4643 10.4643 11.6441 11.6441 12.1953 12.1953 k = 0.1263-0.2287-0.4333 ( 3536 PWs) bands (ev): -26.6196 -26.6196 -26.5515 -26.5515 -9.6015 -9.6015 -9.3731 -9.3731 -8.5748 -8.5748 -8.3363 -8.3363 -8.2239 -8.2239 -8.1273 -8.1273 -5.6673 -5.6673 -3.0397 -3.0397 3.3885 3.3885 4.4618 4.4618 5.5120 5.5120 6.6856 6.6856 6.8484 6.8484 7.2074 7.2074 10.4199 10.4199 10.4678 10.4678 11.5937 11.5937 12.2079 12.2079 k = 0.1326-0.2402-0.4550 ( 3532 PWs) bands (ev): -26.6178 -26.6178 -26.5515 -26.5515 -9.6000 -9.6000 -9.3816 -9.3816 -8.5738 -8.5738 -8.3469 -8.3469 -8.2316 -8.2316 -8.1291 -8.1291 -5.6495 -5.6495 -3.0344 -3.0344 3.3991 3.3991 4.3872 4.3872 5.4664 5.4664 6.6725 6.6725 6.8644 6.8644 7.2124 7.2124 10.3799 10.3799 10.5442 10.5442 11.5385 11.5385 12.2171 12.2171 k = 0.1389-0.2516-0.4766 ( 3534 PWs) bands (ev): -26.6161 -26.6161 -26.5514 -26.5514 -9.5986 -9.5986 -9.3903 -9.3903 -8.5726 -8.5726 -8.3575 -8.3575 -8.2392 -8.2392 -8.1311 -8.1311 -5.6317 -5.6317 -3.0291 -3.0291 3.4075 3.4075 4.3159 4.3159 5.4194 5.4194 6.6616 6.6616 6.8803 6.8803 7.2179 7.2179 10.3440 10.3440 10.6184 10.6184 11.4810 11.4810 12.2224 12.2224 k = 0.1452-0.2630-0.4983 ( 3534 PWs) bands (ev): -26.6143 -26.6143 -26.5514 -26.5514 -9.5972 -9.5972 -9.3990 -9.3990 -8.5715 -8.5715 -8.3679 -8.3679 -8.2466 -8.2466 -8.1333 -8.1333 -5.6137 -5.6137 -3.0236 -3.0236 3.4132 3.4132 4.2487 4.2487 5.3711 5.3711 6.6528 6.6528 6.8962 6.8962 7.2237 7.2237 10.3124 10.3124 10.6898 10.6898 11.4228 11.4228 12.2231 12.2231 k = 0.1515-0.2745-0.5200 ( 3532 PWs) bands (ev): -26.6125 -26.6125 -26.5514 -26.5514 -9.5959 -9.5959 -9.4078 -9.4078 -8.5703 -8.5703 -8.3781 -8.3781 -8.2538 -8.2538 -8.1356 -8.1356 -5.5958 -5.5958 -3.0182 -3.0182 3.4155 3.4155 4.1867 4.1867 5.3216 5.3216 6.6459 6.6459 6.9118 6.9118 7.2299 7.2299 10.2853 10.2853 10.7579 10.7579 11.3647 11.3647 12.2182 12.2182 k = 0.1578-0.2859-0.5416 ( 3536 PWs) bands (ev): -26.6106 -26.6106 -26.5514 -26.5514 -9.5946 -9.5946 -9.4166 -9.4166 -8.5691 -8.5691 -8.3880 -8.3880 -8.2609 -8.2609 -8.1381 -8.1381 -5.5780 -5.5780 -3.0127 -3.0127 3.4138 3.4138 4.1308 4.1308 5.2708 5.2708 6.6410 6.6410 6.9271 6.9271 7.2364 7.2364 10.2625 10.2625 10.8223 10.8223 11.3075 11.3075 12.2066 12.2066 k = 0.1641-0.2973-0.5633 ( 3540 PWs) bands (ev): -26.6087 -26.6087 -26.5515 -26.5515 -9.5934 -9.5934 -9.4253 -9.4253 -8.5681 -8.5681 -8.3975 -8.3975 -8.2677 -8.2677 -8.1408 -8.1408 -5.5604 -5.5604 -3.0072 -3.0072 3.4074 3.4074 4.0818 4.0818 5.2188 5.2188 6.6379 6.6379 6.9420 6.9420 7.2431 7.2431 10.2443 10.2443 10.8823 10.8823 11.2516 11.2516 12.1878 12.1878 k = 0.1704-0.3088-0.5850 ( 3552 PWs) bands (ev): -26.6069 -26.6069 -26.5516 -26.5516 -9.5922 -9.5922 -9.4339 -9.4339 -8.5672 -8.5672 -8.4065 -8.4065 -8.2744 -8.2744 -8.1436 -8.1436 -5.5430 -5.5430 -3.0018 -3.0018 3.3958 3.3958 4.0405 4.0405 5.1657 5.1657 6.6365 6.6365 6.9563 6.9563 7.2498 7.2498 10.2306 10.2306 10.9376 10.9376 11.1974 11.1974 12.1617 12.1617 k = 0.1768-0.3202-0.6066 ( 3544 PWs) bands (ev): -26.6050 -26.6050 -26.5517 -26.5517 -9.5911 -9.5911 -9.4424 -9.4424 -8.5665 -8.5665 -8.4149 -8.4149 -8.2809 -8.2809 -8.1466 -8.1466 -5.5258 -5.5258 -2.9963 -2.9963 3.3792 3.3792 4.0070 4.0070 5.1118 5.1118 6.6368 6.6368 6.9700 6.9700 7.2567 7.2567 10.2215 10.2215 10.9878 10.9878 11.1450 11.1450 12.1291 12.1291 k = 0.1831-0.3316-0.6283 ( 3544 PWs) bands (ev): -26.6031 -26.6031 -26.5518 -26.5518 -9.5900 -9.5900 -9.4507 -9.4507 -8.5662 -8.5662 -8.4226 -8.4226 -8.2873 -8.2873 -8.1497 -8.1497 -5.5090 -5.5090 -2.9910 -2.9910 3.3578 3.3578 3.9812 3.9812 5.0570 5.0570 6.6386 6.6386 6.9829 6.9829 7.2635 7.2635 10.2169 10.2169 11.0323 11.0323 11.0948 11.0948 12.0913 12.0913 k = 0.1894-0.3431-0.6500 ( 3548 PWs) bands (ev): -26.6012 -26.6012 -26.5520 -26.5520 -9.5890 -9.5890 -9.4588 -9.4588 -8.5663 -8.5663 -8.4295 -8.4295 -8.2934 -8.2934 -8.1530 -8.1530 -5.4926 -5.4926 -2.9857 -2.9857 3.3324 3.3324 3.9624 3.9624 5.0015 5.0015 6.6419 6.6419 6.9949 6.9949 7.2702 7.2702 10.2169 10.2169 11.0451 11.0451 11.0726 11.0726 12.0497 12.0497 k = 0.1957-0.3545-0.6716 ( 3548 PWs) bands (ev): -26.5993 -26.5993 -26.5523 -26.5523 -9.5880 -9.5880 -9.4667 -9.4667 -8.5668 -8.5668 -8.4354 -8.4354 -8.2993 -8.2993 -8.1563 -8.1563 -5.4766 -5.4766 -2.9805 -2.9805 3.3041 3.3041 3.9496 3.9496 4.9455 4.9455 6.6465 6.6465 7.0059 7.0059 7.2769 7.2769 10.2214 10.2214 10.9996 10.9996 11.1050 11.1050 12.0060 12.0060 k = 0.2020-0.3660-0.6933 ( 3548 PWs) bands (ev): -26.5974 -26.5974 -26.5525 -26.5525 -9.5871 -9.5871 -9.4742 -9.4742 -8.5680 -8.5680 -8.4404 -8.4404 -8.3051 -8.3051 -8.1598 -8.1598 -5.4612 -5.4612 -2.9754 -2.9754 3.2742 3.2742 3.9418 3.9418 4.8892 4.8892 6.6524 6.6524 7.0158 7.0158 7.2833 7.2833 10.2304 10.2304 10.9556 10.9556 11.1320 11.1320 11.9614 11.9614 k = 0.2083-0.3774-0.7150 ( 3556 PWs) bands (ev): -26.5956 -26.5956 -26.5528 -26.5528 -9.5862 -9.5862 -9.4815 -9.4815 -8.5699 -8.5699 -8.4443 -8.4443 -8.3107 -8.3107 -8.1633 -8.1633 -5.4462 -5.4462 -2.9705 -2.9705 3.2438 3.2438 3.9377 3.9377 4.8327 4.8327 6.6594 6.6594 7.0245 7.0245 7.2896 7.2896 10.2437 10.2437 10.9138 10.9138 11.1532 11.1532 11.9170 11.9170 k = 0.2146-0.3888-0.7366 ( 3554 PWs) bands (ev): -26.5937 -26.5937 -26.5532 -26.5532 -9.5853 -9.5853 -9.4884 -9.4884 -8.5723 -8.5723 -8.4471 -8.4471 -8.3160 -8.3160 -8.1669 -8.1669 -5.4318 -5.4318 -2.9658 -2.9658 3.2141 3.2141 3.9364 3.9364 4.7763 4.7763 6.6675 6.6675 7.0319 7.0319 7.2956 7.2956 10.2614 10.2614 10.8742 10.8742 11.1686 11.1686 11.8737 11.8737 k = 0.2209-0.4003-0.7583 ( 3558 PWs) bands (ev): -26.5919 -26.5919 -26.5536 -26.5536 -9.5844 -9.5844 -9.4949 -9.4949 -8.5755 -8.5755 -8.4488 -8.4488 -8.3212 -8.3212 -8.1705 -8.1705 -5.4181 -5.4181 -2.9612 -2.9612 3.1857 3.1857 3.9369 3.9369 4.7202 4.7202 6.6765 6.6765 7.0380 7.0380 7.3013 7.3013 10.2833 10.2833 10.8368 10.8368 11.1785 11.1785 11.8321 11.8321 k = 0.2273-0.4117-0.7800 ( 3556 PWs) bands (ev): -26.5901 -26.5901 -26.5540 -26.5540 -9.5836 -9.5836 -9.5010 -9.5010 -8.5792 -8.5792 -8.4496 -8.4496 -8.3261 -8.3261 -8.1742 -8.1742 -5.4050 -5.4050 -2.9569 -2.9569 3.1594 3.1594 3.9387 3.9387 4.6647 4.6647 6.6863 6.6863 7.0428 7.0428 7.3067 7.3067 10.3094 10.3094 10.8015 10.8015 11.1832 11.1832 11.7930 11.7930 k = 0.2336-0.4231-0.8016 ( 3552 PWs) bands (ev): -26.5884 -26.5884 -26.5545 -26.5545 -9.5829 -9.5829 -9.5067 -9.5067 -8.5833 -8.5833 -8.4496 -8.4496 -8.3308 -8.3308 -8.1778 -8.1778 -5.3925 -5.3925 -2.9528 -2.9528 3.1358 3.1358 3.9410 3.9410 4.6100 4.6100 6.6970 6.6970 7.0461 7.0461 7.3118 7.3118 10.3394 10.3394 10.7684 10.7684 11.1831 11.1831 11.7567 11.7567 k = 0.2399-0.4346-0.8233 ( 3556 PWs) bands (ev): -26.5866 -26.5866 -26.5550 -26.5550 -9.5822 -9.5822 -9.5120 -9.5120 -8.5879 -8.5879 -8.4488 -8.4488 -8.3352 -8.3352 -8.1815 -8.1815 -5.3808 -5.3808 -2.9490 -2.9490 3.1153 3.1153 3.9433 3.9433 4.5565 4.5565 6.7082 6.7082 7.0480 7.0480 7.3164 7.3164 10.3733 10.3733 10.7373 10.7373 11.1785 11.1785 11.7237 11.7237 k = 0.2462-0.4460-0.8450 ( 3548 PWs) bands (ev): -26.5850 -26.5850 -26.5555 -26.5555 -9.5815 -9.5815 -9.5167 -9.5167 -8.5926 -8.5926 -8.4474 -8.4474 -8.3393 -8.3393 -8.1850 -8.1850 -5.3699 -5.3699 -2.9454 -2.9454 3.0981 3.0981 3.9450 3.9450 4.5047 4.5047 6.7201 6.7201 7.0485 7.0485 7.3206 7.3206 10.4110 10.4110 10.7083 10.7083 11.1698 11.1698 11.6941 11.6941 k = 0.2525-0.4574-0.8666 ( 3548 PWs) bands (ev): -26.5833 -26.5833 -26.5561 -26.5561 -9.5809 -9.5809 -9.5211 -9.5211 -8.5975 -8.5975 -8.4456 -8.4456 -8.3432 -8.3432 -8.1885 -8.1885 -5.3597 -5.3597 -2.9421 -2.9421 3.0843 3.0843 3.9456 3.9456 4.4550 4.4550 6.7325 6.7325 7.0475 7.0475 7.3244 7.3244 10.4522 10.4522 10.6814 10.6814 11.1574 11.1574 11.6682 11.6682 k = 0.2588-0.4689-0.8883 ( 3542 PWs) bands (ev): -26.5817 -26.5817 -26.5568 -26.5568 -9.5803 -9.5803 -9.5249 -9.5249 -8.6024 -8.6024 -8.4436 -8.4436 -8.3467 -8.3467 -8.1919 -8.1919 -5.3503 -5.3503 -2.9390 -2.9390 3.0742 3.0742 3.9445 3.9445 4.4080 4.4080 6.7453 6.7453 7.0451 7.0451 7.3277 7.3277 10.4968 10.4968 10.6564 10.6564 11.1414 11.1414 11.6461 11.6461 k = 0.2651-0.4803-0.9100 ( 3542 PWs) bands (ev): -26.5801 -26.5801 -26.5575 -26.5575 -9.5799 -9.5799 -9.5283 -9.5283 -8.6072 -8.6072 -8.4413 -8.4413 -8.3500 -8.3500 -8.1952 -8.1952 -5.3418 -5.3418 -2.9363 -2.9363 3.0677 3.0677 3.9412 3.9412 4.3643 4.3643 6.7585 6.7585 7.0413 7.0413 7.3305 7.3305 10.5446 10.5446 10.6334 10.6334 11.1221 11.1221 11.6281 11.6281 k = 0.2714-0.4918-0.9316 ( 3548 PWs) bands (ev): -26.5786 -26.5786 -26.5582 -26.5582 -9.5795 -9.5795 -9.5312 -9.5312 -8.6118 -8.6118 -8.4390 -8.4390 -8.3528 -8.3528 -8.1983 -8.1983 -5.3340 -5.3340 -2.9338 -2.9338 3.0646 3.0646 3.9351 3.9351 4.3248 4.3248 6.7720 6.7720 7.0361 7.0361 7.3329 7.3329 10.5938 10.5938 10.6138 10.6138 11.0996 11.0996 11.6140 11.6140 k = 0.2778-0.5032-0.9533 ( 3552 PWs) bands (ev): -26.5772 -26.5772 -26.5589 -26.5589 -9.5792 -9.5792 -9.5336 -9.5336 -8.6162 -8.6162 -8.4367 -8.4367 -8.3553 -8.3553 -8.2012 -8.2012 -5.3271 -5.3271 -2.9317 -2.9317 3.0649 3.0649 3.9257 3.9257 4.2902 4.2902 6.7858 6.7858 7.0296 7.0296 7.3349 7.3349 10.5912 10.5912 10.6507 10.6507 11.0740 11.0740 11.6039 11.6039 k = 0.2841-0.5146-0.9750 ( 3556 PWs) bands (ev): -26.5758 -26.5758 -26.5597 -26.5597 -9.5790 -9.5790 -9.5356 -9.5356 -8.6203 -8.6203 -8.4345 -8.4345 -8.3573 -8.3573 -8.2038 -8.2038 -5.3210 -5.3210 -2.9298 -2.9298 3.0683 3.0683 3.9129 3.9129 4.2609 4.2609 6.7997 6.7997 7.0218 7.0218 7.3364 7.3364 10.5738 10.5738 10.7070 10.7070 11.0454 11.0454 11.5979 11.5979 k = 0.2904-0.5261-0.9966 ( 3554 PWs) bands (ev): -26.5744 -26.5744 -26.5605 -26.5605 -9.5789 -9.5789 -9.5373 -9.5373 -8.6240 -8.6240 -8.4326 -8.4326 -8.3590 -8.3590 -8.2062 -8.2062 -5.3158 -5.3158 -2.9282 -2.9282 3.0743 3.0743 3.8968 3.8968 4.2371 4.2371 6.8139 6.8139 7.0128 7.0128 7.3376 7.3376 10.5577 10.5577 10.7660 10.7660 11.0137 11.0137 11.5958 11.5958 k = 0.2967-0.5375-1.0183 ( 3556 PWs) bands (ev): -26.5731 -26.5731 -26.5613 -26.5613 -9.5788 -9.5788 -9.5385 -9.5385 -8.6274 -8.6274 -8.4310 -8.4310 -8.3601 -8.3601 -8.2082 -8.2082 -5.3114 -5.3114 -2.9269 -2.9269 3.0824 3.0824 3.8781 3.8781 4.2187 4.2187 6.8282 6.8282 7.0026 7.0026 7.3385 7.3385 10.5432 10.5432 10.8270 10.8270 10.9792 10.9792 11.5976 11.5976 k = 0.3030-0.5489-1.0400 ( 3562 PWs) bands (ev): -26.5719 -26.5719 -26.5622 -26.5622 -9.5788 -9.5788 -9.5395 -9.5395 -8.6303 -8.6303 -8.4298 -8.4298 -8.3608 -8.3608 -8.2099 -8.2099 -5.3079 -5.3079 -2.9258 -2.9258 3.0920 3.0920 3.8582 3.8582 4.2051 4.2051 6.8425 6.8425 6.9914 6.9914 7.3391 7.3391 10.5302 10.5302 10.8880 10.8880 10.9437 10.9437 11.6032 11.6032 k = 0.3093-0.5604-1.0616 ( 3562 PWs) bands (ev): -26.5707 -26.5707 -26.5631 -26.5631 -9.5789 -9.5789 -9.5402 -9.5402 -8.6328 -8.6328 -8.4290 -8.4290 -8.3610 -8.3610 -8.2113 -8.2113 -5.3051 -5.3051 -2.9250 -2.9250 3.1022 3.1022 3.8385 3.8385 4.1955 4.1955 6.8570 6.8570 6.9792 6.9792 7.3395 7.3395 10.5187 10.5187 10.8943 10.8943 10.9614 10.9614 11.6125 11.6125 k = 0.3156-0.5718-1.0833 ( 3560 PWs) bands (ev): -26.5695 -26.5695 -26.5640 -26.5640 -9.5789 -9.5789 -9.5407 -9.5407 -8.6348 -8.6348 -8.4286 -8.4286 -8.3608 -8.3608 -8.2122 -8.2122 -5.3032 -5.3032 -2.9244 -2.9244 3.1120 3.1120 3.8208 3.8208 4.1891 4.1891 6.8712 6.8712 6.9663 6.9663 7.3399 7.3399 10.5086 10.5086 10.8517 10.8517 11.0264 11.0264 11.6257 11.6257 k = 0.3219-0.5832-1.1050 ( 3552 PWs) bands (ev): -26.5685 -26.5685 -26.5649 -26.5649 -9.5790 -9.5790 -9.5411 -9.5411 -8.6363 -8.6363 -8.4287 -8.4287 -8.3601 -8.3601 -8.2127 -8.2127 -5.3020 -5.3020 -2.9241 -2.9241 3.1201 3.1201 3.8068 3.8068 4.1854 4.1854 6.8851 6.8851 6.9531 6.9531 7.3401 7.3401 10.4998 10.4998 10.8042 10.8042 11.0942 11.0942 11.6425 11.6425 k = 0.3283-0.5947-1.1266 ( 3556 PWs) bands (ev): -26.5674 -26.5674 -26.5659 -26.5659 -9.5791 -9.5791 -9.5414 -9.5414 -8.6372 -8.6372 -8.4292 -8.4292 -8.3591 -8.3591 -8.2128 -8.2128 -5.3016 -5.3016 -2.9239 -2.9239 3.1256 3.1256 3.7978 3.7978 4.1840 4.1840 6.8969 6.8969 6.9412 6.9412 7.3403 7.3403 10.4921 10.4921 10.7534 10.7534 11.1631 11.1631 11.6633 11.6633 k = 0.3346-0.6061-1.1483 ( 3556 PWs) bands (ev): -26.5668 -26.5668 -26.5665 -26.5665 -9.5791 -9.5791 -9.5416 -9.5416 -8.6376 -8.6376 -8.4302 -8.4302 -8.3578 -8.3578 -8.2125 -8.2125 -5.3019 -5.3019 -2.9240 -2.9240 3.1273 3.1273 3.7951 3.7951 4.1847 4.1847 6.9016 6.9016 6.9360 6.9360 7.3405 7.3405 10.4853 10.4853 10.6998 10.6998 11.2323 11.2323 11.6882 11.6882 k = 0.3409-0.6176-1.1700 ( 3556 PWs) bands (ev): -26.5678 -26.5678 -26.5655 -26.5655 -9.5792 -9.5792 -9.5418 -9.5418 -8.6375 -8.6375 -8.4315 -8.4315 -8.3561 -8.3561 -8.2117 -8.2117 -5.3029 -5.3029 -2.9242 -2.9242 3.1245 3.1245 3.7992 3.7992 4.1875 4.1875 6.8933 6.8933 6.9432 6.9432 7.3408 7.3408 10.4788 10.4788 10.6443 10.6443 11.3011 11.3011 11.7177 11.7177 k = 0.6591-0.4887-1.0923 ( 3556 PWs) bands (ev): -26.5678 -26.5678 -26.5655 -26.5655 -9.5792 -9.5792 -9.5418 -9.5418 -8.6375 -8.6375 -8.4315 -8.4315 -8.3561 -8.3561 -8.2117 -8.2117 -5.3029 -5.3029 -2.9242 -2.9242 3.1245 3.1245 3.7992 3.7992 4.1875 4.1875 6.8933 6.8933 6.9432 6.9432 7.3408 7.3408 10.4788 10.4788 10.6443 10.6443 11.3011 11.3011 11.7177 11.7177 k = 0.6528-0.4640-1.0923 ( 3564 PWs) bands (ev): -26.5688 -26.5688 -26.5647 -26.5647 -9.5792 -9.5792 -9.5420 -9.5420 -8.6368 -8.6368 -8.4331 -8.4331 -8.3542 -8.3542 -8.2105 -8.2105 -5.3046 -5.3046 -2.9245 -2.9245 3.1168 3.1168 3.8100 3.8100 4.1929 4.1929 6.8787 6.8787 6.9566 6.9566 7.3411 7.3411 10.4707 10.4707 10.5882 10.5882 11.3692 11.3692 11.7524 11.7524 k = 0.6464-0.4393-1.0923 ( 3560 PWs) bands (ev): -26.5697 -26.5697 -26.5639 -26.5639 -9.5792 -9.5792 -9.5422 -9.5422 -8.6356 -8.6356 -8.4351 -8.4351 -8.3521 -8.3521 -8.2089 -8.2089 -5.3068 -5.3068 -2.9250 -2.9250 3.1044 3.1044 3.8265 3.8265 4.2013 4.2013 6.8621 6.8621 6.9718 6.9718 7.3416 7.3416 10.4554 10.4554 10.5381 10.5381 11.4351 11.4351 11.7929 11.7929 k = 0.6400-0.4146-1.0923 ( 3560 PWs) bands (ev): -26.5707 -26.5707 -26.5631 -26.5631 -9.5792 -9.5792 -9.5425 -9.5425 -8.6339 -8.6339 -8.4374 -8.4374 -8.3498 -8.3498 -8.2069 -8.2069 -5.3096 -5.3096 -2.9256 -2.9256 3.0878 3.0878 3.8472 3.8472 4.2138 4.2138 6.8446 6.8446 6.9879 6.9879 7.3422 7.3422 10.4192 10.4192 10.5079 10.5079 11.4981 11.4981 11.8397 11.8397 k = 0.6337-0.3899-1.0923 ( 3556 PWs) bands (ev): -26.5717 -26.5717 -26.5624 -26.5624 -9.5793 -9.5793 -9.5428 -9.5428 -8.6317 -8.6317 -8.4400 -8.4400 -8.3473 -8.3473 -8.2045 -8.2045 -5.3129 -5.3129 -2.9263 -2.9263 3.0679 3.0679 3.8699 3.8699 4.2314 4.2314 6.8267 6.8267 7.0045 7.0045 7.3429 7.3429 10.3627 10.3627 10.4972 10.4972 11.5574 11.5574 11.8933 11.8933 k = 0.6273-0.3652-1.0923 ( 3558 PWs) bands (ev): -26.5726 -26.5726 -26.5617 -26.5617 -9.5793 -9.5793 -9.5432 -9.5432 -8.6290 -8.6290 -8.4428 -8.4428 -8.3447 -8.3447 -8.2018 -8.2018 -5.3167 -5.3167 -2.9271 -2.9271 3.0455 3.0455 3.8924 3.8924 4.2554 4.2554 6.8086 6.8086 7.0216 7.0216 7.3438 7.3438 10.2979 10.2979 10.4942 10.4942 11.6130 11.6130 11.9534 11.9534 k = 0.6209-0.3405-1.0923 ( 3564 PWs) bands (ev): -26.5735 -26.5735 -26.5611 -26.5611 -9.5793 -9.5793 -9.5437 -9.5437 -8.6258 -8.6258 -8.4458 -8.4458 -8.3420 -8.3420 -8.1989 -8.1989 -5.3209 -5.3209 -2.9280 -2.9280 3.0213 3.0213 3.9127 3.9127 4.2867 4.2867 6.7905 6.7905 7.0391 7.0391 7.3448 7.3448 10.2298 10.2298 10.4943 10.4943 11.6653 11.6653 12.0194 12.0194 k = 0.6146-0.3158-1.0923 ( 3562 PWs) bands (ev): -26.5744 -26.5744 -26.5605 -26.5605 -9.5794 -9.5794 -9.5442 -9.5442 -8.6223 -8.6223 -8.4490 -8.4490 -8.3392 -8.3392 -8.1957 -8.1957 -5.3253 -5.3253 -2.9289 -2.9289 2.9960 2.9960 3.9293 3.9293 4.3257 4.3257 6.7726 6.7726 7.0570 7.0570 7.3460 7.3460 10.1600 10.1600 10.4961 10.4961 11.7152 11.7152 12.0901 12.0901 k = 0.6082-0.2911-1.0923 ( 3558 PWs) bands (ev): -26.5753 -26.5753 -26.5600 -26.5600 -9.5794 -9.5794 -9.5448 -9.5448 -8.6184 -8.6184 -8.4524 -8.4524 -8.3363 -8.3363 -8.1924 -8.1924 -5.3300 -5.3300 -2.9298 -2.9298 2.9703 2.9703 3.9419 3.9419 4.3720 4.3720 6.7550 6.7550 7.0753 7.0753 7.3473 7.3473 10.0893 10.0893 10.4991 10.4991 11.7634 11.7634 12.1640 12.1640 k = 0.6018-0.2664-1.0923 ( 3556 PWs) bands (ev): -26.5762 -26.5762 -26.5595 -26.5595 -9.5795 -9.5795 -9.5455 -9.5455 -8.6141 -8.6141 -8.4560 -8.4560 -8.3333 -8.3333 -8.1889 -8.1889 -5.3350 -5.3350 -2.9308 -2.9308 2.9444 2.9444 3.9506 3.9506 4.4247 4.4247 6.7378 6.7378 7.0939 7.0939 7.3487 7.3487 10.0183 10.0183 10.5028 10.5028 11.8110 11.8110 12.2363 12.2363 k = 0.5955-0.2417-1.0923 ( 3556 PWs) bands (ev): -26.5770 -26.5770 -26.5591 -26.5591 -9.5797 -9.5797 -9.5462 -9.5462 -8.6095 -8.6095 -8.4597 -8.4597 -8.3303 -8.3303 -8.1853 -8.1853 -5.3400 -5.3400 -2.9318 -2.9318 2.9190 2.9190 3.9560 3.9560 4.4824 4.4824 6.7211 6.7211 7.1128 7.1128 7.3502 7.3502 9.9474 9.9474 10.5071 10.5071 11.8587 11.8587 12.2365 12.2365 k = 0.5891-0.2170-1.0923 ( 3564 PWs) bands (ev): -26.5778 -26.5778 -26.5586 -26.5586 -9.5798 -9.5798 -9.5469 -9.5469 -8.6047 -8.6047 -8.4635 -8.4635 -8.3273 -8.3273 -8.1817 -8.1817 -5.3451 -5.3451 -2.9329 -2.9329 2.8942 2.8942 3.9588 3.9588 4.5437 4.5437 6.7051 6.7051 7.1319 7.1319 7.3518 7.3518 9.8771 9.8771 10.5119 10.5119 11.9069 11.9069 12.1601 12.1601 k = 0.5827-0.1923-1.0923 ( 3564 PWs) bands (ev): -26.5786 -26.5786 -26.5583 -26.5583 -9.5800 -9.5800 -9.5477 -9.5477 -8.5997 -8.5997 -8.4674 -8.4674 -8.3243 -8.3243 -8.1781 -8.1781 -5.3502 -5.3502 -2.9339 -2.9339 2.8703 2.8703 3.9595 3.9595 4.6074 4.6074 6.6898 6.6898 7.1513 7.1513 7.3535 7.3535 9.8077 9.8077 10.5169 10.5169 11.9559 11.9559 12.0784 12.0784 k = 0.5764-0.1676-1.0923 ( 3562 PWs) bands (ev): -26.5793 -26.5793 -26.5579 -26.5579 -9.5803 -9.5803 -9.5484 -9.5484 -8.5945 -8.5945 -8.4714 -8.4714 -8.3213 -8.3213 -8.1746 -8.1746 -5.3552 -5.3552 -2.9349 -2.9349 2.8476 2.8476 3.9587 3.9587 4.6720 4.6720 6.6753 6.6753 7.1707 7.1707 7.3552 7.3552 9.7397 9.7397 10.5221 10.5221 11.9910 11.9910 12.0112 12.0112 k = 0.5700-0.1429-1.0923 ( 3560 PWs) bands (ev): -26.5800 -26.5800 -26.5576 -26.5576 -9.5805 -9.5805 -9.5492 -9.5492 -8.5892 -8.5892 -8.4755 -8.4755 -8.3184 -8.3184 -8.1712 -8.1712 -5.3601 -5.3601 -2.9358 -2.9358 2.8262 2.8262 3.9569 3.9569 4.7366 4.7366 6.6617 6.6617 7.1901 7.1901 7.3570 7.3570 9.6734 9.6734 10.5273 10.5273 11.9130 11.9130 12.0596 12.0596 k = 0.5636-0.1182-1.0923 ( 3548 PWs) bands (ev): -26.5806 -26.5806 -26.5574 -26.5574 -9.5808 -9.5808 -9.5499 -9.5499 -8.5839 -8.5839 -8.4797 -8.4797 -8.3157 -8.3157 -8.1679 -8.1679 -5.3648 -5.3648 -2.9367 -2.9367 2.8063 2.8063 3.9544 3.9544 4.7999 4.7999 6.6491 6.6491 7.2093 7.2093 7.3588 7.3588 9.6094 9.6094 10.5324 10.5324 11.8338 11.8338 12.1128 12.1128 k = 0.5573-0.0935-1.0923 ( 3552 PWs) bands (ev): -26.5811 -26.5811 -26.5571 -26.5571 -9.5811 -9.5811 -9.5505 -9.5505 -8.5785 -8.5785 -8.4839 -8.4839 -8.3130 -8.3130 -8.1648 -8.1648 -5.3692 -5.3692 -2.9376 -2.9376 2.7879 2.7879 3.9514 3.9514 4.8611 4.8611 6.6375 6.6375 7.2280 7.2280 7.3606 7.3606 9.5482 9.5482 10.5373 10.5373 11.7580 11.7580 12.1676 12.1676 k = 0.5509-0.0688-1.0923 ( 3550 PWs) bands (ev): -26.5817 -26.5817 -26.5569 -26.5569 -9.5814 -9.5814 -9.5512 -9.5512 -8.5731 -8.5731 -8.4881 -8.4881 -8.3106 -8.3106 -8.1620 -8.1620 -5.3733 -5.3733 -2.9384 -2.9384 2.7713 2.7713 3.9483 3.9483 4.9191 4.9191 6.6270 6.6270 7.2461 7.2461 7.3625 7.3625 9.4904 9.4904 10.5420 10.5420 11.6869 11.6869 12.2234 12.2234 k = 0.5446-0.0441-1.0923 ( 3550 PWs) bands (ev): -26.5821 -26.5821 -26.5567 -26.5567 -9.5818 -9.5818 -9.5517 -9.5517 -8.5678 -8.5678 -8.4924 -8.4924 -8.3083 -8.3083 -8.1593 -8.1593 -5.3771 -5.3771 -2.9391 -2.9391 2.7564 2.7564 3.9451 3.9451 4.9729 4.9729 6.6176 6.6176 7.2631 7.2631 7.3645 7.3645 9.4366 9.4366 10.5462 10.5462 11.6216 11.6216 12.2799 12.2799 k = 0.5382-0.0194-1.0923 ( 3546 PWs) bands (ev): -26.5825 -26.5825 -26.5566 -26.5566 -9.5820 -9.5820 -9.5523 -9.5523 -8.5625 -8.5625 -8.4967 -8.4967 -8.3063 -8.3063 -8.1570 -8.1570 -5.3805 -5.3805 -2.9398 -2.9398 2.7433 2.7433 3.9420 3.9420 5.0218 5.0218 6.6094 6.6094 7.2788 7.2788 7.3666 7.3666 9.3877 9.3877 10.5500 10.5500 11.5631 11.5631 12.3363 12.3363 k = 0.5318 0.0053-1.0923 ( 3548 PWs) bands (ev): -26.5829 -26.5829 -26.5565 -26.5565 -9.5823 -9.5823 -9.5527 -9.5527 -8.5574 -8.5574 -8.5009 -8.5009 -8.3045 -8.3045 -8.1550 -8.1550 -5.3834 -5.3834 -2.9404 -2.9404 2.7322 2.7322 3.9392 3.9392 5.0647 5.0647 6.6025 6.6025 7.2926 7.2926 7.3687 7.3687 9.3444 9.3444 10.5533 10.5533 11.5122 11.5122 12.3916 12.3916 k = 0.5255 0.0300-1.0923 ( 3552 PWs) bands (ev): -26.5832 -26.5832 -26.5564 -26.5564 -9.5825 -9.5825 -9.5531 -9.5531 -8.5526 -8.5526 -8.5050 -8.5050 -8.3031 -8.3031 -8.1533 -8.1533 -5.3858 -5.3858 -2.9408 -2.9408 2.7230 2.7230 3.9368 3.9368 5.1010 5.1010 6.5967 6.5967 7.3043 7.3043 7.3710 7.3710 9.3075 9.3075 10.5561 10.5561 11.4695 11.4695 12.4442 12.4442 k = 0.5191 0.0547-1.0923 ( 3554 PWs) bands (ev): -26.5834 -26.5834 -26.5563 -26.5563 -9.5827 -9.5827 -9.5533 -9.5533 -8.5481 -8.5481 -8.5090 -8.5090 -8.3019 -8.3019 -8.1520 -8.1520 -5.3878 -5.3878 -2.9412 -2.9412 2.7159 2.7159 3.9349 3.9349 5.1300 5.1300 6.5922 6.5922 7.3134 7.3134 7.3733 7.3733 9.2778 9.2778 10.5582 10.5582 11.4358 11.4358 12.4917 12.4917 k = 0.5127 0.0794-1.0923 ( 3546 PWs) bands (ev): -26.5835 -26.5835 -26.5562 -26.5562 -9.5829 -9.5829 -9.5535 -9.5535 -8.5442 -8.5442 -8.5124 -8.5124 -8.3010 -8.3010 -8.1510 -8.1510 -5.3892 -5.3892 -2.9415 -2.9415 2.7107 2.7107 3.9334 3.9334 5.1511 5.1511 6.5891 6.5891 7.3198 7.3198 7.3753 7.3753 9.2560 9.2560 10.5598 10.5598 11.4113 11.4113 12.5307 12.5307 k = 0.5064 0.1041-1.0923 ( 3540 PWs) bands (ev): -26.5836 -26.5836 -26.5562 -26.5562 -9.5830 -9.5830 -9.5537 -9.5537 -8.5414 -8.5414 -8.5150 -8.5150 -8.3005 -8.3005 -8.1504 -8.1504 -5.3900 -5.3900 -2.9416 -2.9416 2.7076 2.7076 3.9325 3.9325 5.1639 5.1639 6.5871 6.5871 7.3237 7.3237 7.3767 7.3767 9.2427 9.2427 10.5607 10.5607 11.3966 11.3966 12.5571 12.5571 k = 0.5000 0.1288-1.0923 ( 3540 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5830 -9.5830 -9.5537 -9.5537 -8.5403 -8.5403 -8.5159 -8.5159 -8.3004 -8.3004 -8.1502 -8.1502 -5.3903 -5.3903 -2.9417 -2.9417 2.7066 2.7066 3.9322 3.9322 5.1683 5.1683 6.5865 6.5865 7.3249 7.3249 7.3772 7.3772 9.2382 9.2382 10.5610 10.5610 11.3916 11.3916 12.5665 12.5665 k = 0.5000 0.1288-1.0923 ( 3540 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5830 -9.5830 -9.5537 -9.5537 -8.5403 -8.5403 -8.5159 -8.5159 -8.3004 -8.3004 -8.1502 -8.1502 -5.3903 -5.3903 -2.9417 -2.9417 2.7066 2.7066 3.9322 3.9322 5.1683 5.1683 6.5865 6.5865 7.3249 7.3249 7.3772 7.3772 9.2382 9.2382 10.5610 10.5610 11.3916 11.3916 12.5665 12.5665 k = 0.5199 0.1340-1.0826 ( 3544 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5830 -9.5830 -9.5537 -9.5537 -8.5403 -8.5403 -8.5159 -8.5159 -8.3004 -8.3004 -8.1503 -8.1503 -5.3902 -5.3902 -2.9418 -2.9418 2.7070 2.7070 3.9322 3.9322 5.1684 5.1684 6.5853 6.5853 7.3247 7.3247 7.3770 7.3770 9.2397 9.2397 10.5629 10.5629 11.3906 11.3906 12.5584 12.5584 k = 0.5398 0.1391-1.0729 ( 3550 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5829 -9.5829 -9.5535 -9.5535 -8.5404 -8.5404 -8.5158 -8.5158 -8.3006 -8.3006 -8.1504 -8.1504 -5.3900 -5.3900 -2.9421 -2.9421 2.7084 2.7084 3.9323 3.9323 5.1689 5.1689 6.5816 6.5816 7.3241 7.3241 7.3764 7.3764 9.2443 9.2443 10.5686 10.5686 11.3875 11.3875 12.5350 12.5350 k = 0.5597 0.1442-1.0632 ( 3555 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5829 -9.5829 -9.5532 -9.5532 -8.5404 -8.5404 -8.5155 -8.5155 -8.3009 -8.3009 -8.1506 -8.1506 -5.3897 -5.3897 -2.9426 -2.9426 2.7107 2.7107 3.9323 3.9323 5.1697 5.1697 6.5756 6.5756 7.3230 7.3230 7.3753 7.3753 9.2520 9.2520 10.5778 10.5778 11.3826 11.3826 12.4982 12.4982 k = 0.5796 0.1493-1.0534 ( 3557 PWs) bands (ev): -26.5838 -26.5838 -26.5561 -26.5561 -9.5828 -9.5828 -9.5529 -9.5529 -8.5405 -8.5405 -8.5152 -8.5152 -8.3013 -8.3013 -8.1508 -8.1508 -5.3892 -5.3892 -2.9432 -2.9432 2.7139 2.7139 3.9323 3.9323 5.1708 5.1708 6.5674 6.5674 7.3216 7.3216 7.3739 7.3739 9.2626 9.2626 10.5905 10.5905 11.3761 11.3761 12.4504 12.4504 k = 0.5995 0.1545-1.0437 ( 3553 PWs) bands (ev): -26.5838 -26.5838 -26.5561 -26.5561 -9.5827 -9.5827 -9.5524 -9.5524 -8.5406 -8.5406 -8.5148 -8.5148 -8.3019 -8.3019 -8.1512 -8.1512 -5.3886 -5.3886 -2.9441 -2.9441 2.7179 2.7179 3.9323 3.9323 5.1723 5.1723 6.5572 6.5572 7.3197 7.3197 7.3722 7.3722 9.2761 9.2761 10.6063 10.6063 11.3682 11.3682 12.3941 12.3941 k = 0.6193 0.1596-1.0340 ( 3555 PWs) bands (ev): -26.5839 -26.5839 -26.5561 -26.5561 -9.5826 -9.5826 -9.5519 -9.5519 -8.5407 -8.5407 -8.5143 -8.5143 -8.3025 -8.3025 -8.1515 -8.1515 -5.3879 -5.3879 -2.9451 -2.9451 2.7227 2.7227 3.9323 3.9323 5.1740 5.1740 6.5451 6.5451 7.3175 7.3175 7.3700 7.3700 9.2925 9.2925 10.6250 10.6250 11.3594 11.3594 12.3315 12.3315 k = 0.6392 0.1647-1.0243 ( 3552 PWs) bands (ev): -26.5840 -26.5840 -26.5561 -26.5561 -9.5824 -9.5824 -9.5512 -9.5512 -8.5409 -8.5409 -8.5137 -8.5137 -8.3033 -8.3033 -8.1520 -8.1520 -5.3872 -5.3872 -2.9462 -2.9462 2.7282 2.7282 3.9324 3.9324 5.1760 5.1760 6.5314 6.5314 7.3150 7.3150 7.3676 7.3676 9.3116 9.3116 10.6462 10.6462 11.3499 11.3499 12.2645 12.2645 k = 0.6591 0.1698-1.0146 ( 3556 PWs) bands (ev): -26.5841 -26.5841 -26.5561 -26.5561 -9.5823 -9.5823 -9.5505 -9.5505 -8.5410 -8.5410 -8.5131 -8.5131 -8.3041 -8.3041 -8.1524 -8.1524 -5.3863 -5.3863 -2.9475 -2.9475 2.7344 2.7344 3.9324 3.9324 5.1782 5.1782 6.5165 6.5165 7.3122 7.3122 7.3648 7.3648 9.3333 9.3333 10.6694 10.6694 11.3403 11.3403 12.1944 12.1944 k = 0.6591 0.1698-1.0146 ( 3556 PWs) bands (ev): -26.5841 -26.5841 -26.5561 -26.5561 -9.5823 -9.5823 -9.5505 -9.5505 -8.5410 -8.5410 -8.5131 -8.5131 -8.3041 -8.3041 -8.1524 -8.1524 -5.3863 -5.3863 -2.9475 -2.9475 2.7344 2.7344 3.9324 3.9324 5.1782 5.1782 6.5165 6.5165 7.3122 7.3122 7.3648 7.3648 9.3333 9.3333 10.6694 10.6694 11.3403 11.3403 12.1944 12.1944 k = 0.6555 0.1689-0.9898 ( 3558 PWs) bands (ev): -26.5845 -26.5845 -26.5559 -26.5559 -9.5834 -9.5834 -9.5477 -9.5477 -8.5424 -8.5424 -8.5108 -8.5108 -8.3028 -8.3028 -8.1523 -8.1523 -5.3895 -5.3895 -2.9482 -2.9482 2.7475 2.7475 3.9265 3.9265 5.1807 5.1807 6.5258 6.5258 7.3119 7.3119 7.3621 7.3621 9.3259 9.3259 10.6828 10.6828 11.3221 11.3221 12.2241 12.2241 k = 0.6519 0.1680-0.9650 ( 3562 PWs) bands (ev): -26.5852 -26.5852 -26.5557 -26.5557 -9.5844 -9.5844 -9.5443 -9.5443 -8.5438 -8.5438 -8.5081 -8.5081 -8.3012 -8.3012 -8.1520 -8.1520 -5.3937 -5.3937 -2.9493 -2.9493 2.7653 2.7653 3.9196 3.9196 5.1845 5.1845 6.5360 6.5360 7.3104 7.3104 7.3578 7.3578 9.3222 9.3222 10.6954 10.6954 11.3063 11.3063 12.2554 12.2554 k = 0.6483 0.1670-0.9401 ( 3555 PWs) bands (ev): -26.5860 -26.5860 -26.5554 -26.5554 -9.5854 -9.5854 -9.5404 -9.5404 -8.5451 -8.5451 -8.5050 -8.5050 -8.2995 -8.2995 -8.1516 -8.1516 -5.3990 -5.3990 -2.9507 -2.9507 2.7876 2.7876 3.9117 3.9117 5.1897 5.1897 6.5470 6.5470 7.3074 7.3074 7.3522 7.3522 9.3222 9.3222 10.7068 10.7068 11.2931 11.2931 12.2883 12.2883 k = 0.6447 0.1661-0.9153 ( 3553 PWs) bands (ev): -26.5870 -26.5870 -26.5551 -26.5551 -9.5862 -9.5862 -9.5359 -9.5359 -8.5463 -8.5463 -8.5016 -8.5016 -8.2975 -8.2975 -8.1511 -8.1511 -5.4052 -5.4052 -2.9525 -2.9525 2.8144 2.8144 3.9031 3.9031 5.1963 5.1963 6.5589 6.5589 7.3024 7.3024 7.3458 7.3458 9.3261 9.3261 10.7166 10.7166 11.2830 11.2830 12.3224 12.3224 k = 0.6410 0.1652-0.8905 ( 3548 PWs) bands (ev): -26.5881 -26.5881 -26.5548 -26.5548 -9.5869 -9.5869 -9.5310 -9.5310 -8.5474 -8.5474 -8.4977 -8.4977 -8.2954 -8.2954 -8.1506 -8.1506 -5.4123 -5.4123 -2.9547 -2.9547 2.8453 2.8453 3.8938 3.8938 5.2043 5.2043 6.5714 6.5714 7.2948 7.2948 7.3392 7.3392 9.3337 9.3337 10.7248 10.7248 11.2761 11.2761 12.3574 12.3574 k = 0.6374 0.1642-0.8657 ( 3546 PWs) bands (ev): -26.5893 -26.5893 -26.5544 -26.5544 -9.5874 -9.5874 -9.5257 -9.5257 -8.5484 -8.5484 -8.4936 -8.4936 -8.2930 -8.2930 -8.1499 -8.1499 -5.4203 -5.4203 -2.9572 -2.9572 2.8801 2.8801 3.8842 3.8842 5.2137 5.2137 6.5847 6.5847 7.2840 7.2840 7.3330 7.3330 9.3453 9.3453 10.7313 10.7313 11.2725 11.2725 12.3928 12.3928 k = 0.6338 0.1633-0.8408 ( 3546 PWs) bands (ev): -26.5906 -26.5906 -26.5541 -26.5541 -9.5877 -9.5877 -9.5199 -9.5199 -8.5492 -8.5492 -8.4891 -8.4891 -8.2905 -8.2905 -8.1492 -8.1492 -5.4292 -5.4292 -2.9600 -2.9600 2.9185 2.9185 3.8745 3.8745 5.2246 5.2246 6.5984 6.5984 7.2699 7.2699 7.3273 7.3273 9.3607 9.3607 10.7364 10.7364 11.2723 11.2723 12.4281 12.4281 k = 0.6302 0.1624-0.8160 ( 3547 PWs) bands (ev): -26.5921 -26.5921 -26.5537 -26.5537 -9.5880 -9.5880 -9.5138 -9.5138 -8.5499 -8.5499 -8.4842 -8.4842 -8.2877 -8.2877 -8.1484 -8.1484 -5.4389 -5.4389 -2.9631 -2.9631 2.9601 2.9601 3.8652 3.8652 5.2368 5.2368 6.6126 6.6126 7.2528 7.2528 7.3220 7.3220 9.3800 9.3800 10.7405 10.7405 11.2751 11.2751 12.4626 12.4626 k = 0.6266 0.1614-0.7912 ( 3557 PWs) bands (ev): -26.5936 -26.5936 -26.5534 -26.5534 -9.5881 -9.5881 -9.5073 -9.5073 -8.5505 -8.5505 -8.4791 -8.4791 -8.2846 -8.2846 -8.1476 -8.1476 -5.4494 -5.4494 -2.9665 -2.9665 3.0043 3.0043 3.8566 3.8566 5.2505 5.2505 6.6271 6.6271 7.2330 7.2330 7.3168 7.3168 9.4030 9.4030 10.7441 10.7441 11.2806 11.2806 12.4951 12.4951 k = 0.6230 0.1605-0.7664 ( 3553 PWs) bands (ev): -26.5951 -26.5951 -26.5531 -26.5531 -9.5881 -9.5881 -9.5005 -9.5005 -8.5510 -8.5510 -8.4736 -8.4736 -8.2813 -8.2813 -8.1467 -8.1467 -5.4605 -5.4605 -2.9703 -2.9703 3.0506 3.0506 3.8495 3.8495 5.2656 5.2656 6.6416 6.6416 7.2110 7.2110 7.3114 7.3114 9.4299 9.4299 10.7478 10.7478 11.2886 11.2886 12.4997 12.4997 k = 0.6193 0.1596-0.7415 ( 3547 PWs) bands (ev): -26.5968 -26.5968 -26.5529 -26.5529 -9.5881 -9.5881 -9.4934 -9.4934 -8.5513 -8.5513 -8.4678 -8.4678 -8.2777 -8.2777 -8.1459 -8.1459 -5.4722 -5.4722 -2.9743 -2.9743 3.0980 3.0980 3.8446 3.8446 5.2820 5.2820 6.6560 6.6560 7.1870 7.1870 7.3058 7.3058 9.4604 9.4604 10.7523 10.7523 11.2986 11.2986 12.4655 12.4655 k = 0.6157 0.1587-0.7167 ( 3553 PWs) bands (ev): -26.5984 -26.5984 -26.5526 -26.5526 -9.5879 -9.5879 -9.4860 -9.4860 -8.5516 -8.5516 -8.4618 -8.4618 -8.2738 -8.2738 -8.1451 -8.1451 -5.4845 -5.4845 -2.9786 -2.9786 3.1456 3.1456 3.8429 3.8429 5.2998 5.2998 6.6699 6.6699 7.1614 7.1614 7.2999 7.2999 9.4945 9.4945 10.7581 10.7581 11.3102 11.3102 12.4315 12.4315 k = 0.6121 0.1577-0.6919 ( 3558 PWs) bands (ev): -26.6002 -26.6002 -26.5524 -26.5524 -9.5877 -9.5877 -9.4784 -9.4784 -8.5518 -8.5518 -8.4554 -8.4554 -8.2697 -8.2697 -8.1443 -8.1443 -5.4973 -5.4973 -2.9832 -2.9832 3.1920 3.1920 3.8457 3.8457 5.3189 5.3189 6.6829 6.6829 7.1348 7.1348 7.2935 7.2935 9.5322 9.5322 10.7660 10.7660 11.3233 11.3233 12.3981 12.3981 k = 0.6085 0.1568-0.6671 ( 3560 PWs) bands (ev): -26.6019 -26.6019 -26.5522 -26.5522 -9.5875 -9.5875 -9.4706 -9.4706 -8.5518 -8.5518 -8.4487 -8.4487 -8.2653 -8.2653 -8.1435 -8.1435 -5.5106 -5.5106 -2.9881 -2.9881 3.2356 3.2356 3.8546 3.8546 5.3393 5.3393 6.6945 6.6945 7.1077 7.1077 7.2866 7.2866 9.5732 9.5732 10.7763 10.7763 11.3373 11.3373 12.3654 12.3654 k = 0.6049 0.1559-0.6422 ( 3560 PWs) bands (ev): -26.6037 -26.6037 -26.5520 -26.5520 -9.5873 -9.5873 -9.4626 -9.4626 -8.5518 -8.5518 -8.4417 -8.4417 -8.2606 -8.2606 -8.1428 -8.1428 -5.5241 -5.5241 -2.9933 -2.9933 3.2748 3.2748 3.8712 3.8712 5.3609 5.3609 6.7040 6.7040 7.0808 7.0808 7.2793 7.2793 9.6175 9.6175 10.7894 10.7894 11.3523 11.3523 12.3335 12.3335 k = 0.6013 0.1549-0.6174 ( 3559 PWs) bands (ev): -26.6055 -26.6055 -26.5519 -26.5519 -9.5870 -9.5870 -9.4546 -9.4546 -8.5518 -8.5518 -8.4344 -8.4344 -8.2556 -8.2556 -8.1421 -8.1421 -5.5379 -5.5379 -2.9988 -2.9988 3.3079 3.3079 3.8969 3.8969 5.3838 5.3838 6.7106 6.7106 7.0550 7.0550 7.2716 7.2716 9.6648 9.6648 10.8058 10.8058 11.3678 11.3678 12.3024 12.3024 k = 0.5976 0.1540-0.5926 ( 3552 PWs) bands (ev): -26.6073 -26.6073 -26.5518 -26.5518 -9.5867 -9.5867 -9.4464 -9.4464 -8.5516 -8.5516 -8.4270 -8.4270 -8.2504 -8.2504 -8.1414 -8.1414 -5.5520 -5.5520 -3.0045 -3.0045 3.3339 3.3339 3.9327 3.9327 5.4077 5.4077 6.7131 6.7131 7.0317 7.0317 7.2634 7.2634 9.7151 9.7151 10.8257 10.8257 11.3839 11.3839 12.2721 12.2721 k = 0.5940 0.1531-0.5678 ( 3558 PWs) bands (ev): -26.6091 -26.6091 -26.5517 -26.5517 -9.5864 -9.5864 -9.4382 -9.4382 -8.5514 -8.5514 -8.4192 -8.4192 -8.2450 -8.2450 -8.1409 -8.1409 -5.5662 -5.5662 -3.0105 -3.0105 3.3525 3.3525 3.9787 3.9787 5.4328 5.4328 6.7102 6.7102 7.0120 7.0120 7.2548 7.2548 9.7682 9.7682 10.8492 10.8492 11.4002 11.4002 12.2427 12.2427 k = 0.5904 0.1521-0.5429 ( 3562 PWs) bands (ev): -26.6109 -26.6109 -26.5517 -26.5517 -9.5862 -9.5862 -9.4299 -9.4299 -8.5511 -8.5511 -8.4113 -8.4113 -8.2393 -8.2393 -8.1403 -8.1403 -5.5804 -5.5804 -3.0168 -3.0168 3.3645 3.3645 4.0342 4.0342 5.4589 5.4589 6.7011 6.7011 6.9970 6.9970 7.2458 7.2458 9.8238 9.8238 10.8764 10.8764 11.4166 11.4166 12.2141 12.2141 k = 0.5868 0.1512-0.5181 ( 3564 PWs) bands (ev): -26.6127 -26.6127 -26.5517 -26.5517 -9.5859 -9.5859 -9.4217 -9.4217 -8.5508 -8.5508 -8.4032 -8.4032 -8.2335 -8.2335 -8.1398 -8.1398 -5.5946 -5.5946 -3.0233 -3.0233 3.3707 3.3707 4.0979 4.0979 5.4860 5.4860 6.6852 6.6852 6.9875 6.9875 7.2364 7.2364 9.8818 9.8818 10.9073 10.9073 11.4327 11.4327 12.1862 12.1862 k = 0.5832 0.1503-0.4933 ( 3562 PWs) bands (ev): -26.6144 -26.6144 -26.5517 -26.5517 -9.5857 -9.5857 -9.4136 -9.4136 -8.5504 -8.5504 -8.3949 -8.3949 -8.2275 -8.2275 -8.1394 -8.1394 -5.6088 -5.6088 -3.0300 -3.0300 3.3726 3.3726 4.1684 4.1684 5.5140 5.5140 6.6630 6.6630 6.9830 6.9830 7.2267 7.2267 9.9420 9.9420 10.9420 10.9420 11.4482 11.4482 12.1576 12.1576 k = 0.5796 0.1493-0.4685 ( 3558 PWs) bands (ev): -26.6162 -26.6162 -26.5517 -26.5517 -9.5855 -9.5855 -9.4056 -9.4056 -8.5500 -8.5500 -8.3865 -8.3865 -8.2214 -8.2214 -8.1389 -8.1389 -5.6228 -5.6228 -3.0369 -3.0369 3.3712 3.3712 4.2442 4.2442 5.5428 5.5428 6.6355 6.6355 6.9827 6.9827 7.2168 7.2168 10.0041 10.0041 10.9801 10.9801 11.4626 11.4626 12.1163 12.1163 k = 0.5759 0.1484-0.4436 ( 3561 PWs) bands (ev): -26.6179 -26.6179 -26.5518 -26.5518 -9.5854 -9.5854 -9.3977 -9.3977 -8.5496 -8.5496 -8.3779 -8.3779 -8.2154 -8.2154 -8.1385 -8.1385 -5.6367 -5.6367 -3.0440 -3.0440 3.3675 3.3675 4.3241 4.3241 5.5725 5.5725 6.6040 6.6040 6.9856 6.9856 7.2065 7.2065 10.0679 10.0679 11.0216 11.0216 11.4751 11.4751 12.0700 12.0700 k = 0.5723 0.1475-0.4188 ( 3555 PWs) bands (ev): -26.6196 -26.6196 -26.5519 -26.5519 -9.5853 -9.5853 -9.3900 -9.3900 -8.5490 -8.5490 -8.3693 -8.3693 -8.2094 -8.2094 -8.1380 -8.1380 -5.6502 -5.6502 -3.0512 -3.0512 3.3623 3.3623 4.4069 4.4069 5.6030 5.6030 6.5697 6.5697 6.9904 6.9904 7.1962 7.1962 10.1332 10.1332 11.0662 11.0662 11.4849 11.4849 12.0274 12.0274 k = 0.5687 0.1465-0.3940 ( 3549 PWs) bands (ev): -26.6212 -26.6212 -26.5520 -26.5520 -9.5852 -9.5852 -9.3824 -9.3824 -8.5485 -8.5485 -8.3607 -8.3607 -8.2035 -8.2035 -8.1373 -8.1373 -5.6635 -5.6635 -3.0586 -3.0586 3.3561 3.3561 4.4918 4.4918 5.6342 5.6342 6.5336 6.5336 6.9966 6.9966 7.1857 7.1857 10.1997 10.1997 11.1133 11.1133 11.4909 11.4909 11.9907 11.9907 k = 0.5651 0.1456-0.3692 ( 3546 PWs) bands (ev): -26.6228 -26.6228 -26.5521 -26.5521 -9.5852 -9.5852 -9.3751 -9.3751 -8.5479 -8.5479 -8.3520 -8.3520 -8.1980 -8.1980 -8.1365 -8.1365 -5.6763 -5.6763 -3.0660 -3.0660 3.3495 3.3495 4.5777 4.5777 5.6662 5.6662 6.4966 6.4966 7.0033 7.0033 7.1751 7.1751 10.2670 10.2670 11.1624 11.1624 11.4918 11.4918 11.9613 11.9613 k = 0.5615 0.1447-0.3443 ( 3542 PWs) bands (ev): -26.6243 -26.6243 -26.5522 -26.5522 -9.5852 -9.5852 -9.3681 -9.3681 -8.5474 -8.5474 -8.3434 -8.3434 -8.1928 -8.1928 -8.1354 -8.1354 -5.6888 -5.6888 -3.0735 -3.0735 3.3426 3.3426 4.6640 4.6640 5.6988 5.6988 6.4592 6.4592 7.0101 7.0101 7.1646 7.1646 10.3348 10.3348 11.2125 11.2125 11.4872 11.4872 11.9405 11.9405 k = 0.5579 0.1437-0.3195 ( 3539 PWs) bands (ev): -26.6258 -26.6258 -26.5523 -26.5523 -9.5852 -9.5852 -9.3614 -9.3614 -8.5467 -8.5467 -8.3348 -8.3348 -8.1883 -8.1883 -8.1339 -8.1339 -5.7008 -5.7008 -3.0809 -3.0809 3.3359 3.3359 4.7498 4.7498 5.7321 5.7321 6.4222 6.4222 7.0169 7.0169 7.1542 7.1542 10.4028 10.4028 11.2624 11.2624 11.4774 11.4774 11.9290 11.9290 k = 0.5542 0.1428-0.2947 ( 3535 PWs) bands (ev): -26.6272 -26.6272 -26.5524 -26.5524 -9.5853 -9.5853 -9.3549 -9.3549 -8.5461 -8.5461 -8.3263 -8.3263 -8.1845 -8.1845 -8.1318 -8.1318 -5.7122 -5.7122 -3.0883 -3.0883 3.3293 3.3293 4.8343 4.8343 5.7660 5.7660 6.3858 6.3858 7.0232 7.0232 7.1439 7.1439 10.4703 10.4703 11.3088 11.3088 11.4650 11.4650 11.9263 11.9263 k = 0.5506 0.1419-0.2699 ( 3529 PWs) bands (ev): -26.6285 -26.6285 -26.5526 -26.5526 -9.5854 -9.5854 -9.3488 -9.3488 -8.5455 -8.5455 -8.3180 -8.3180 -8.1816 -8.1816 -8.1292 -8.1292 -5.7231 -5.7231 -3.0956 -3.0956 3.3232 3.3232 4.9167 4.9167 5.8005 5.8005 6.3504 6.3504 7.0291 7.0291 7.1338 7.1338 10.5370 10.5370 11.3440 11.3440 11.4582 11.4582 11.9311 11.9311 k = 0.5470 0.1409-0.2450 ( 3526 PWs) bands (ev): -26.6298 -26.6298 -26.5527 -26.5527 -9.5855 -9.5855 -9.3431 -9.3431 -8.5449 -8.5449 -8.3098 -8.3098 -8.1795 -8.1795 -8.1261 -8.1261 -5.7334 -5.7334 -3.1027 -3.1027 3.3174 3.3174 4.9963 4.9963 5.8355 5.8355 6.3166 6.3166 7.0343 7.0343 7.1240 7.1240 10.6021 10.6021 11.3539 11.3539 11.4711 11.4711 11.9374 11.9374 k = 0.5434 0.1400-0.2202 ( 3527 PWs) bands (ev): -26.6310 -26.6310 -26.5529 -26.5529 -9.5857 -9.5857 -9.3377 -9.3377 -8.5443 -8.5443 -8.3017 -8.3017 -8.1784 -8.1784 -8.1225 -8.1225 -5.7431 -5.7431 -3.1096 -3.1096 3.3122 3.3122 5.0723 5.0723 5.8710 5.8710 6.2845 6.2845 7.0388 7.0388 7.1146 7.1146 10.6648 10.6648 11.3402 11.3402 11.5019 11.5019 11.9297 11.9297 k = 0.5398 0.1391-0.1954 ( 3527 PWs) bands (ev): -26.6321 -26.6321 -26.5530 -26.5530 -9.5859 -9.5859 -9.3327 -9.3327 -8.5437 -8.5437 -8.2939 -8.2939 -8.1780 -8.1780 -8.1185 -8.1185 -5.7521 -5.7521 -3.1162 -3.1162 3.3074 3.3074 5.1439 5.1439 5.9065 5.9065 6.2547 6.2547 7.0426 7.0426 7.1056 7.1056 10.7241 10.7241 11.3168 11.3168 11.5355 11.5355 11.9172 11.9172 k = 0.5362 0.1382-0.1706 ( 3515 PWs) bands (ev): -26.6332 -26.6332 -26.5531 -26.5531 -9.5860 -9.5860 -9.3280 -9.3280 -8.5432 -8.5432 -8.2863 -8.2863 -8.1784 -8.1784 -8.1143 -8.1143 -5.7605 -5.7605 -3.1225 -3.1225 3.3032 3.3032 5.2104 5.2104 5.9418 5.9418 6.2276 6.2276 7.0457 7.0457 7.0971 7.0971 10.7788 10.7788 11.2908 11.2908 11.5641 11.5641 11.9051 11.9051 k = 0.5325 0.1372-0.1457 ( 3511 PWs) bands (ev): -26.6341 -26.6341 -26.5533 -26.5533 -9.5862 -9.5862 -9.3238 -9.3238 -8.5426 -8.5426 -8.2790 -8.2790 -8.1793 -8.1793 -8.1101 -8.1101 -5.7681 -5.7681 -3.1284 -3.1284 3.2995 3.2995 5.2713 5.2713 5.9758 5.9758 6.2038 6.2038 7.0480 7.0480 7.0893 7.0893 10.8275 10.8275 11.2649 11.2649 11.5842 11.5842 11.8940 11.8940 k = 0.5289 0.1363-0.1209 ( 3514 PWs) bands (ev): -26.6350 -26.6350 -26.5534 -26.5534 -9.5864 -9.5864 -9.3200 -9.3200 -8.5421 -8.5421 -8.2721 -8.2721 -8.1807 -8.1807 -8.1060 -8.1060 -5.7749 -5.7749 -3.1338 -3.1338 3.2963 3.2963 5.3261 5.3261 6.0072 6.0072 6.1845 6.1845 7.0497 7.0497 7.0821 7.0821 10.8689 10.8689 11.2403 11.2403 11.5953 11.5953 11.8841 11.8841 k = 0.5253 0.1354-0.0961 ( 3513 PWs) bands (ev): -26.6357 -26.6357 -26.5535 -26.5535 -9.5866 -9.5866 -9.3167 -9.3167 -8.5417 -8.5417 -8.2655 -8.2655 -8.1824 -8.1824 -8.1021 -8.1021 -5.7810 -5.7810 -3.1387 -3.1387 3.2936 3.2936 5.3745 5.3745 6.0335 6.0335 6.1718 6.1718 7.0507 7.0507 7.0756 7.0756 10.9015 10.9015 11.2177 11.2177 11.6000 11.6000 11.8754 11.8754 k = 0.5217 0.1344-0.0713 ( 3515 PWs) bands (ev): -26.6364 -26.6364 -26.5536 -26.5536 -9.5867 -9.5867 -9.3137 -9.3137 -8.5413 -8.5413 -8.2593 -8.2593 -8.1845 -8.1845 -8.0986 -8.0986 -5.7863 -5.7863 -3.1431 -3.1431 3.2913 3.2913 5.4162 5.4162 6.0509 6.0509 6.1686 6.1686 7.0510 7.0510 7.0701 7.0701 10.9247 10.9247 11.1972 11.1972 11.6024 11.6024 11.8680 11.8680 k = 0.5181 0.1335-0.0464 ( 3511 PWs) bands (ev): -26.6369 -26.6369 -26.5537 -26.5537 -9.5868 -9.5868 -9.3113 -9.3113 -8.5409 -8.5409 -8.2536 -8.2536 -8.1867 -8.1867 -8.0955 -8.0955 -5.7909 -5.7909 -3.1469 -3.1469 3.2894 3.2894 5.4514 5.4514 6.0575 6.0575 6.1762 6.1762 7.0507 7.0507 7.0657 7.0657 10.9389 10.9389 11.1792 11.1792 11.6064 11.6064 11.8617 11.8617 k = 0.5145 0.1326-0.0216 ( 3511 PWs) bands (ev): -26.6374 -26.6374 -26.5537 -26.5537 -9.5870 -9.5870 -9.3092 -9.3092 -8.5406 -8.5406 -8.2485 -8.2485 -8.1889 -8.1889 -8.0928 -8.0928 -5.7946 -5.7946 -3.1501 -3.1501 3.2880 3.2880 5.4799 5.4799 6.0563 6.0563 6.1904 6.1904 7.0499 7.0499 7.0624 7.0624 10.9456 10.9456 11.1636 11.1636 11.6140 11.6140 11.8566 11.8566 k = 0.5108 0.1316 0.0032 ( 3513 PWs) bands (ev): -26.6378 -26.6378 -26.5538 -26.5538 -9.5871 -9.5871 -9.3076 -9.3076 -8.5404 -8.5404 -8.2442 -8.2442 -8.1910 -8.1910 -8.0907 -8.0907 -5.7975 -5.7975 -3.1526 -3.1526 3.2868 3.2868 5.5020 5.5020 6.0521 6.0521 6.2059 6.2059 7.0487 7.0487 7.0601 7.0601 10.9472 10.9472 11.1509 11.1509 11.6247 11.6247 11.8524 11.8524 k = 0.5072 0.1307 0.0280 ( 3527 PWs) bands (ev): -26.6380 -26.6380 -26.5538 -26.5538 -9.5871 -9.5871 -9.3065 -9.3065 -8.5402 -8.5402 -8.2409 -8.2409 -8.1928 -8.1928 -8.0892 -8.0892 -5.7996 -5.7996 -3.1543 -3.1543 3.2860 3.2860 5.5176 5.5176 6.0478 6.0478 6.2189 6.2189 7.0474 7.0474 7.0587 7.0587 10.9461 10.9461 11.1414 11.1414 11.6362 11.6362 11.8487 11.8487 k = 0.5036 0.1298 0.0529 ( 3522 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5872 -9.5872 -9.3058 -9.3058 -8.5401 -8.5401 -8.2387 -8.2387 -8.1940 -8.1940 -8.0883 -8.0883 -5.8008 -5.8008 -3.1554 -3.1554 3.2856 3.2856 5.5269 5.5269 6.0448 6.0448 6.2274 6.2274 7.0465 7.0465 7.0580 7.0580 10.9445 10.9445 11.1355 11.1355 11.6452 11.6452 11.8451 11.8451 k = 0.5000 0.1288 0.0777 ( 3510 PWs) bands (ev): -26.6382 -26.6382 -26.5539 -26.5539 -9.5872 -9.5872 -9.3056 -9.3056 -8.5401 -8.5401 -8.2379 -8.2379 -8.1945 -8.1945 -8.0880 -8.0880 -5.8012 -5.8012 -3.1558 -3.1558 3.2854 3.2854 5.5301 5.5301 6.0437 6.0437 6.2303 6.2303 7.0462 7.0462 7.0578 7.0578 10.9438 10.9438 11.1336 11.1336 11.6487 11.6487 11.8433 11.8433 k = 0.5000-0.9058-0.5461 ( 3558 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5707 -9.5707 -9.5554 -9.5554 -8.5309 -8.5309 -8.5172 -8.5172 -8.3248 -8.3248 -8.1586 -8.1586 -5.3616 -5.3616 -2.9636 -2.9636 2.7711 2.7711 3.9722 3.9722 5.2083 5.2083 6.2475 6.2475 7.2643 7.2643 7.3354 7.3354 9.8574 9.8574 10.7640 10.7640 11.2485 11.2485 11.4629 11.4629 k = 0.5227-0.8966-0.5406 ( 3558 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5709 -9.5709 -9.5553 -9.5553 -8.5310 -8.5310 -8.5172 -8.5172 -8.3246 -8.3246 -8.1585 -8.1585 -5.3618 -5.3618 -2.9635 -2.9635 2.7708 2.7708 3.9718 3.9718 5.2080 5.2080 6.2496 6.2496 7.2647 7.2647 7.3356 7.3356 9.8511 9.8511 10.7671 10.7671 11.2507 11.2507 11.4639 11.4639 k = 0.5455-0.8874-0.5350 ( 3564 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5712 -9.5712 -9.5551 -9.5551 -8.5314 -8.5314 -8.5169 -8.5169 -8.3242 -8.3242 -8.1584 -8.1584 -5.3624 -5.3624 -2.9631 -2.9631 2.7700 2.7700 3.9707 3.9707 5.2072 5.2072 6.2557 6.2557 7.2659 7.2659 7.3362 7.3362 9.8327 9.8327 10.7757 10.7757 11.2575 11.2575 11.4672 11.4672 k = 0.5682-0.8782-0.5295 ( 3557 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5718 -9.5718 -9.5548 -9.5548 -8.5320 -8.5320 -8.5166 -8.5166 -8.3234 -8.3234 -8.1582 -8.1582 -5.3633 -5.3633 -2.9625 -2.9625 2.7685 2.7685 3.9690 3.9690 5.2059 5.2059 6.2659 6.2659 7.2678 7.2678 7.3372 7.3372 9.8040 9.8040 10.7868 10.7868 11.2689 11.2689 11.4742 11.4742 k = 0.5909-0.8690-0.5239 ( 3559 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5726 -9.5726 -9.5544 -9.5544 -8.5328 -8.5328 -8.5161 -8.5161 -8.3223 -8.3223 -8.1579 -8.1579 -5.3645 -5.3645 -2.9616 -2.9616 2.7665 2.7665 3.9666 3.9666 5.2042 5.2042 6.2797 6.2797 7.2704 7.2704 7.3386 7.3386 9.7672 9.7672 10.7970 10.7970 11.2841 11.2841 11.4871 11.4871 k = 0.6137-0.8598-0.5184 ( 3570 PWs) bands (ev): -26.5836 -26.5836 -26.5563 -26.5563 -9.5735 -9.5735 -9.5539 -9.5539 -8.5337 -8.5337 -8.5157 -8.5157 -8.3209 -8.3209 -8.1575 -8.1575 -5.3660 -5.3660 -2.9606 -2.9606 2.7641 2.7641 3.9637 3.9637 5.2020 5.2020 6.2968 6.2968 7.2736 7.2736 7.3403 7.3403 9.7246 9.7246 10.8034 10.8034 11.3010 11.3010 11.5095 11.5095 k = 0.6364-0.8506-0.5129 ( 3567 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5745 -9.5745 -9.5534 -9.5534 -8.5347 -8.5347 -8.5152 -8.5152 -8.3193 -8.3193 -8.1571 -8.1571 -5.3678 -5.3678 -2.9593 -2.9593 2.7612 2.7612 3.9604 3.9604 5.1995 5.1995 6.3170 6.3170 7.2773 7.2773 7.3424 7.3424 9.6785 9.6785 10.8042 10.8042 11.3161 11.3161 11.5450 11.5450 k = 0.6591-0.8414-0.5073 ( 3572 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5756 -9.5756 -9.5529 -9.5529 -8.5356 -8.5356 -8.5148 -8.5148 -8.3176 -8.3176 -8.1566 -8.1566 -5.3699 -5.3699 -2.9580 -2.9580 2.7581 2.7581 3.9568 3.9568 5.1968 5.1968 6.3395 6.3395 7.2815 7.2815 7.3447 7.3447 9.6304 9.6304 10.7989 10.7989 11.3269 11.3269 11.5956 11.5956 k = 0.6819-0.8322-0.5018 ( 3567 PWs) bands (ev): -26.5837 -26.5837 -26.5562 -26.5562 -9.5767 -9.5767 -9.5525 -9.5525 -8.5366 -8.5366 -8.5144 -8.5144 -8.3156 -8.3156 -8.1561 -8.1561 -5.3721 -5.3721 -2.9565 -2.9565 2.7546 2.7546 3.9530 3.9530 5.1940 5.1940 6.3640 6.3640 7.2860 7.2860 7.3474 7.3474 9.5817 9.5817 10.7882 10.7882 11.3333 11.3333 11.6601 11.6601 k = 0.7046-0.8230-0.4962 ( 3565 PWs) bands (ev): -26.5838 -26.5838 -26.5562 -26.5562 -9.5778 -9.5778 -9.5520 -9.5520 -8.5375 -8.5375 -8.5141 -8.5141 -8.3137 -8.3137 -8.1555 -8.1555 -5.3745 -5.3745 -2.9549 -2.9549 2.7510 2.7510 3.9491 3.9491 5.1911 5.1911 6.3898 6.3898 7.2906 7.2906 7.3502 7.3502 9.5338 9.5338 10.7732 10.7732 11.3364 11.3364 11.7358 11.7358 k = 0.7273-0.8138-0.4907 ( 3555 PWs) bands (ev): -26.5838 -26.5838 -26.5562 -26.5562 -9.5788 -9.5788 -9.5517 -9.5517 -8.5384 -8.5384 -8.5138 -8.5138 -8.3116 -8.3116 -8.1549 -8.1549 -5.3769 -5.3769 -2.9533 -2.9533 2.7474 2.7474 3.9453 3.9453 5.1882 5.1882 6.4163 6.4163 7.2953 7.2953 7.3533 7.3533 9.4875 9.4875 10.7549 10.7549 11.3374 11.3374 11.8199 11.8199 k = 0.7501-0.8046-0.4851 ( 3551 PWs) bands (ev): -26.5839 -26.5839 -26.5561 -26.5561 -9.5798 -9.5798 -9.5513 -9.5513 -8.5392 -8.5392 -8.5135 -8.5135 -8.3096 -8.3096 -8.1543 -8.1543 -5.3793 -5.3793 -2.9518 -2.9518 2.7438 2.7438 3.9416 3.9416 5.1854 5.1854 6.4429 6.4429 7.3000 7.3000 7.3563 7.3563 9.4436 9.4436 10.7345 10.7345 11.3376 11.3376 11.9100 11.9100 k = 0.7728-0.7954-0.4796 ( 3555 PWs) bands (ev): -26.5839 -26.5839 -26.5561 -26.5561 -9.5807 -9.5807 -9.5510 -9.5510 -8.5399 -8.5399 -8.5133 -8.5133 -8.3077 -8.3077 -8.1536 -8.1536 -5.3818 -5.3818 -2.9502 -2.9502 2.7404 2.7404 3.9382 3.9382 5.1827 5.1827 6.4688 6.4688 7.3044 7.3044 7.3593 7.3593 9.4029 9.4029 10.7129 10.7129 11.3378 11.3378 12.0038 12.0038 k = 0.7955-0.7862-0.4740 ( 3556 PWs) bands (ev): -26.5840 -26.5840 -26.5561 -26.5561 -9.5816 -9.5816 -9.5507 -9.5507 -8.5405 -8.5405 -8.5132 -8.5132 -8.3058 -8.3058 -8.1530 -8.1530 -5.3841 -5.3841 -2.9488 -2.9488 2.7372 2.7372 3.9351 3.9351 5.1803 5.1803 6.4936 6.4936 7.3085 7.3085 7.3622 7.3622 9.3659 9.3659 10.6910 10.6910 11.3385 11.3385 12.0993 12.0993 k = 0.8182-0.7770-0.4685 ( 3556 PWs) bands (ev): -26.5841 -26.5841 -26.5561 -26.5561 -9.5823 -9.5823 -9.5505 -9.5505 -8.5410 -8.5410 -8.5131 -8.5131 -8.3041 -8.3041 -8.1524 -8.1524 -5.3863 -5.3863 -2.9475 -2.9475 2.7344 2.7344 3.9324 3.9324 5.1782 5.1782 6.5165 6.5165 7.3122 7.3122 7.3648 7.3648 9.3333 9.3333 10.6694 10.6694 11.3403 11.3403 12.1944 12.1944 Writing output data file Sr2IN.save init_run : 0.53s CPU 0.72s WALL ( 1 calls) electrons : 169.20s CPU 170.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 169.20s CPU 170.92s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 300 calls) cegterg : 152.59s CPU 153.97s WALL ( 357 calls) Called by sum_band: Called by *egterg: h_psi : 122.61s CPU 123.79s WALL ( 6242 calls) s_psi : 2.69s CPU 2.69s WALL ( 6242 calls) g_psi : 0.17s CPU 0.14s WALL ( 5585 calls) cdiaghg : 32.44s CPU 32.58s WALL ( 5885 calls) cegterg:over : 3.25s CPU 3.14s WALL ( 5585 calls) cegterg:upda : 2.71s CPU 2.96s WALL ( 5585 calls) cegterg:last : 1.23s CPU 1.33s WALL ( 1012 calls) cdiaghg:chol : 1.78s CPU 1.88s WALL ( 5885 calls) cdiaghg:inve : 1.08s CPU 1.07s WALL ( 5885 calls) cdiaghg:para : 1.89s CPU 1.85s WALL ( 11770 calls) Called by h_psi: h_psi:vloc : 116.21s CPU 117.34s WALL ( 6242 calls) h_psi:vnl : 6.28s CPU 6.32s WALL ( 6242 calls) add_vuspsi : 3.40s CPU 3.23s WALL ( 6242 calls) General routines calbec : 2.86s CPU 3.08s WALL ( 6242 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 105.40s CPU 106.33s WALL ( 532060 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.15s WALL ( 600 calls) Parallel routines fft_scatter : 23.15s CPU 23.42s WALL ( 532083 calls) PWSCF : 3m 1.37s CPU 3m21.95s WALL This run was terminated on: 11:27: 3 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=