Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:11 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: ./NaNbN2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 38 11 893 666 109 Max 46 39 12 895 677 111 Sum 1653 1375 403 32203 24211 3931 bravais-lattice index = 14 lattice parameter (alat) = 11.2098 a.u. unit-cell volume = 327.4272 (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 = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.209848 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.859010 celldm(5)= 0.859010 celldm(6)= 0.859010 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.859010 0.511959 0.000000 ) a(3) = ( 0.859010 0.236566 0.454025 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.677886 -1.017739 ) b(2) = ( 0.000000 1.953280 -1.017739 ) b(3) = ( 0.000000 0.000000 2.202520 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 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 Nb 13.00 92.90640 Nb( 1.00) Na 9.00 22.98980 Na( 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= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0084746 -0.0142194 -0.0086249), wk = 0.0026178 k( 3) = ( 0.0169491 -0.0284387 -0.0172498), wk = 0.0026178 k( 4) = ( 0.0254237 -0.0426581 -0.0258747), wk = 0.0026178 k( 5) = ( 0.0338983 -0.0568775 -0.0344996), wk = 0.0026178 k( 6) = ( 0.0423729 -0.0710969 -0.0431245), wk = 0.0026178 k( 7) = ( 0.0508475 -0.0853163 -0.0517494), wk = 0.0026178 k( 8) = ( 0.0593220 -0.0995356 -0.0603743), wk = 0.0026178 k( 9) = ( 0.0677966 -0.1137550 -0.0689992), wk = 0.0026178 k( 10) = ( 0.0762712 -0.1279744 -0.0776241), wk = 0.0026178 k( 11) = ( 0.0847458 -0.1421938 -0.0862490), wk = 0.0026178 k( 12) = ( 0.0932203 -0.1564131 -0.0948739), wk = 0.0026178 k( 13) = ( 0.1016949 -0.1706325 -0.1034989), wk = 0.0026178 k( 14) = ( 0.1101695 -0.1848519 -0.1121237), wk = 0.0026178 k( 15) = ( 0.1186441 -0.1990713 -0.1207487), wk = 0.0026178 k( 16) = ( 0.1271186 -0.2132906 -0.1293736), wk = 0.0026178 k( 17) = ( 0.1355932 -0.2275100 -0.1379985), wk = 0.0026178 k( 18) = ( 0.1440678 -0.2417294 -0.1466234), wk = 0.0026178 k( 19) = ( 0.1525424 -0.2559488 -0.1552483), wk = 0.0026178 k( 20) = ( 0.1610169 -0.2701681 -0.1638732), wk = 0.0026178 k( 21) = ( 0.1694915 -0.2843875 -0.1724981), wk = 0.0026178 k( 22) = ( 0.1779661 -0.2986069 -0.1811230), wk = 0.0026178 k( 23) = ( 0.1864407 -0.3128263 -0.1897479), wk = 0.0026178 k( 24) = ( 0.1949153 -0.3270456 -0.1983728), wk = 0.0026178 k( 25) = ( 0.2033898 -0.3412650 -0.2069977), wk = 0.0026178 k( 26) = ( 0.2118644 -0.3554844 -0.2156226), wk = 0.0026178 k( 27) = ( 0.2203390 -0.3697038 -0.2242475), wk = 0.0026178 k( 28) = ( 0.2288136 -0.3839231 -0.2328724), wk = 0.0026178 k( 29) = ( 0.2372881 -0.3981425 -0.2414973), wk = 0.0026178 k( 30) = ( 0.2457627 -0.4123619 -0.2501222), wk = 0.0026178 k( 31) = ( 0.2542373 -0.4265813 -0.2587471), wk = 0.0026178 k( 32) = ( 0.2627119 -0.4408006 -0.2673720), wk = 0.0026178 k( 33) = ( 0.2711864 -0.4550200 -0.2759969), wk = 0.0026178 k( 34) = ( 0.2796610 -0.4692394 -0.2846218), wk = 0.0026178 k( 35) = ( 0.2881356 -0.4834588 -0.2932467), wk = 0.0026178 k( 36) = ( 0.2966102 -0.4976782 -0.3018716), wk = 0.0026178 k( 37) = ( 0.3050848 -0.5118975 -0.3104965), wk = 0.0026178 k( 38) = ( 0.3135593 -0.5261169 -0.3191214), wk = 0.0026178 k( 39) = ( 0.3220339 -0.5403363 -0.3277463), wk = 0.0026178 k( 40) = ( 0.3305085 -0.5545556 -0.3363712), wk = 0.0026178 k( 41) = ( 0.3389831 -0.5687750 -0.3449962), wk = 0.0026178 k( 42) = ( 0.3474576 -0.5829944 -0.3536211), wk = 0.0026178 k( 43) = ( 0.3559322 -0.5972138 -0.3622460), wk = 0.0026178 k( 44) = ( 0.3644068 -0.6114332 -0.3708709), wk = 0.0026178 k( 45) = ( 0.3728814 -0.6256525 -0.3794958), wk = 0.0026178 k( 46) = ( 0.3813559 -0.6398719 -0.3881207), wk = 0.0026178 k( 47) = ( 0.3898305 -0.6540913 -0.3967456), wk = 0.0026178 k( 48) = ( 0.3983051 -0.6683107 -0.4053705), wk = 0.0026178 k( 49) = ( 0.4067797 -0.6825300 -0.4139954), wk = 0.0026178 k( 50) = ( 0.4152542 -0.6967494 -0.4226203), wk = 0.0026178 k( 51) = ( 0.4237288 -0.7109688 -0.4312452), wk = 0.0026178 k( 52) = ( 0.4322034 -0.7251882 -0.4398701), wk = 0.0026178 k( 53) = ( 0.4406780 -0.7394075 -0.4484950), wk = 0.0026178 k( 54) = ( 0.4491525 -0.7536269 -0.4571199), wk = 0.0026178 k( 55) = ( 0.4576271 -0.7678463 -0.4657448), wk = 0.0026178 k( 56) = ( 0.4661017 -0.7820657 -0.4743697), wk = 0.0026178 k( 57) = ( 0.4745763 -0.7962850 -0.4829946), wk = 0.0026178 k( 58) = ( 0.4830508 -0.8105044 -0.4916195), wk = 0.0026178 k( 59) = ( 0.4915254 -0.8247238 -0.5002444), wk = 0.0026178 k( 60) = ( 0.5000000 -0.8389432 -0.5088693), wk = 0.0026178 k( 61) = ( 0.5000000 -0.8389432 -0.5088693), wk = 0.0026178 k( 62) = ( 0.5000000 -0.8292318 -0.5248799), wk = 0.0026178 k( 63) = ( 0.5000000 -0.8195204 -0.5408905), wk = 0.0026178 k( 64) = ( 0.5000000 -0.8098091 -0.5569010), wk = 0.0026178 k( 65) = ( 0.5000000 -0.8000977 -0.5729116), wk = 0.0026178 k( 66) = ( 0.5000000 -0.7903863 -0.5889221), wk = 0.0026178 k( 67) = ( 0.5000000 -0.7806750 -0.6049327), wk = 0.0026178 k( 68) = ( 0.5000000 -0.7709636 -0.6209432), wk = 0.0026178 k( 69) = ( 0.5000000 -0.7612523 -0.6369538), wk = 0.0026178 k( 70) = ( 0.5000000 -0.7515409 -0.6529644), wk = 0.0026178 k( 71) = ( 0.5000000 -0.7418295 -0.6689749), wk = 0.0026178 k( 72) = ( 0.5000000 -0.7321182 -0.6849855), wk = 0.0026178 k( 73) = ( 0.5000000 -0.7224068 -0.7009960), wk = 0.0026178 k( 74) = ( 0.5000000 -0.7126954 -0.7170066), wk = 0.0026178 k( 75) = ( 0.5000000 -0.7029841 -0.7330172), wk = 0.0026178 k( 76) = ( 0.5000000 -0.6932727 -0.7490277), wk = 0.0026178 k( 77) = ( 0.5000000 -0.6835614 -0.7650383), wk = 0.0026178 k( 78) = ( 0.5000000 -0.6738500 -0.7810488), wk = 0.0026178 k( 79) = ( 0.5000000 -0.6641386 -0.7970594), wk = 0.0026178 k( 80) = ( 0.5000000 -0.6544272 -0.8130700), wk = 0.0026178 k( 81) = ( 0.5000000 -0.6447159 -0.8290805), wk = 0.0026178 k( 82) = ( 0.5000000 -0.6350045 -0.8450911), wk = 0.0026178 k( 83) = ( 0.5000000 -0.6252932 -0.8611016), wk = 0.0026178 k( 84) = ( 0.5000000 -0.6155818 -0.8771122), wk = 0.0026178 k( 85) = ( 0.5000000 -0.6058704 -0.8931227), wk = 0.0026178 k( 86) = ( 0.5000000 -0.5961591 -0.9091333), wk = 0.0026178 k( 87) = ( 0.5000000 -0.5864477 -0.9251439), wk = 0.0026178 k( 88) = ( 0.5000000 -0.5767363 -0.9411544), wk = 0.0026178 k( 89) = ( 0.5000000 -0.5670250 -0.9571650), wk = 0.0026178 k( 90) = ( 0.5000000 -0.5573136 -0.9731755), wk = 0.0026178 k( 91) = ( 0.5000000 -0.5476022 -0.9891861), wk = 0.0026178 k( 92) = ( 0.5000000 -0.5378909 -1.0051967), wk = 0.0026178 k( 93) = ( 0.5000000 -0.5281795 -1.0212072), wk = 0.0026178 k( 94) = ( 0.5000000 -0.5184682 -1.0372178), wk = 0.0026178 k( 95) = ( 0.5000000 -0.5087568 -1.0532283), wk = 0.0026178 k( 96) = ( 0.5000000 -0.4990454 -1.0692389), wk = 0.0026178 k( 97) = ( 0.5000000 -0.4893341 -1.0852495), wk = 0.0026178 k( 98) = ( 0.5000000 -0.4796227 -1.1012600), wk = 0.0026178 k( 99) = ( 0.8160425 -0.3925866 -0.9342173), wk = 0.0026178 k( 100) = ( 0.8111044 -0.3843009 -0.9183151), wk = 0.0026178 k( 101) = ( 0.8061662 -0.3760153 -0.9024130), wk = 0.0026178 k( 102) = ( 0.8012280 -0.3677296 -0.8865108), wk = 0.0026178 k( 103) = ( 0.7962899 -0.3594439 -0.8706086), wk = 0.0026178 k( 104) = ( 0.7913517 -0.3511582 -0.8547064), wk = 0.0026178 k( 105) = ( 0.7864135 -0.3428725 -0.8388043), wk = 0.0026178 k( 106) = ( 0.7814754 -0.3345869 -0.8229021), wk = 0.0026178 k( 107) = ( 0.7765372 -0.3263012 -0.8070000), wk = 0.0026178 k( 108) = ( 0.7715990 -0.3180155 -0.7910978), wk = 0.0026178 k( 109) = ( 0.7666609 -0.3097298 -0.7751956), wk = 0.0026178 k( 110) = ( 0.7617227 -0.3014442 -0.7592935), wk = 0.0026178 k( 111) = ( 0.7567845 -0.2931585 -0.7433913), wk = 0.0026178 k( 112) = ( 0.7518464 -0.2848728 -0.7274891), wk = 0.0026178 k( 113) = ( 0.7469082 -0.2765871 -0.7115869), wk = 0.0026178 k( 114) = ( 0.7419701 -0.2683014 -0.6956848), wk = 0.0026178 k( 115) = ( 0.7370319 -0.2600158 -0.6797826), wk = 0.0026178 k( 116) = ( 0.7320937 -0.2517301 -0.6638805), wk = 0.0026178 k( 117) = ( 0.7271556 -0.2434444 -0.6479783), wk = 0.0026178 k( 118) = ( 0.7222174 -0.2351587 -0.6320761), wk = 0.0026178 k( 119) = ( 0.7172792 -0.2268730 -0.6161740), wk = 0.0026178 k( 120) = ( 0.7123411 -0.2185874 -0.6002718), wk = 0.0026178 k( 121) = ( 0.7074029 -0.2103017 -0.5843696), wk = 0.0026178 k( 122) = ( 0.7024647 -0.2020160 -0.5684675), wk = 0.0026178 k( 123) = ( 0.6975266 -0.1937303 -0.5525653), wk = 0.0026178 k( 124) = ( 0.6925884 -0.1854447 -0.5366631), wk = 0.0026178 k( 125) = ( 0.6876502 -0.1771590 -0.5207609), wk = 0.0026178 k( 126) = ( 0.6827121 -0.1688733 -0.5048588), wk = 0.0026178 k( 127) = ( 0.6777739 -0.1605876 -0.4889566), wk = 0.0026178 k( 128) = ( 0.6728357 -0.1523019 -0.4730545), wk = 0.0026178 k( 129) = ( 0.6678976 -0.1440163 -0.4571523), wk = 0.0026178 k( 130) = ( 0.6629594 -0.1357306 -0.4412501), wk = 0.0026178 k( 131) = ( 0.6580213 -0.1274449 -0.4253480), wk = 0.0026178 k( 132) = ( 0.6530831 -0.1191592 -0.4094458), wk = 0.0026178 k( 133) = ( 0.6481449 -0.1108735 -0.3935436), wk = 0.0026178 k( 134) = ( 0.6432068 -0.1025879 -0.3776414), wk = 0.0026178 k( 135) = ( 0.6382686 -0.0943022 -0.3617393), wk = 0.0026178 k( 136) = ( 0.6333304 -0.0860165 -0.3458371), wk = 0.0026178 k( 137) = ( 0.6283923 -0.0777308 -0.3299350), wk = 0.0026178 k( 138) = ( 0.6234541 -0.0694452 -0.3140328), wk = 0.0026178 k( 139) = ( 0.6185159 -0.0611595 -0.2981306), wk = 0.0026178 k( 140) = ( 0.6135778 -0.0528738 -0.2822285), wk = 0.0026178 k( 141) = ( 0.6086396 -0.0445881 -0.2663263), wk = 0.0026178 k( 142) = ( 0.6037014 -0.0363024 -0.2504241), wk = 0.0026178 k( 143) = ( 0.5987633 -0.0280168 -0.2345220), wk = 0.0026178 k( 144) = ( 0.5938251 -0.0197311 -0.2186198), wk = 0.0026178 k( 145) = ( 0.5888870 -0.0114454 -0.2027176), wk = 0.0026178 k( 146) = ( 0.5839488 -0.0031597 -0.1868155), wk = 0.0026178 k( 147) = ( 0.5790106 0.0051259 -0.1709133), wk = 0.0026178 k( 148) = ( 0.5740725 0.0134116 -0.1550111), wk = 0.0026178 k( 149) = ( 0.5691343 0.0216973 -0.1391090), wk = 0.0026178 k( 150) = ( 0.5641961 0.0299830 -0.1232068), wk = 0.0026178 k( 151) = ( 0.5592580 0.0382687 -0.1073046), wk = 0.0026178 k( 152) = ( 0.5543198 0.0465543 -0.0914025), wk = 0.0026178 k( 153) = ( 0.5493816 0.0548400 -0.0755003), wk = 0.0026178 k( 154) = ( 0.5444435 0.0631257 -0.0595981), wk = 0.0026178 k( 155) = ( 0.5395053 0.0714114 -0.0436960), wk = 0.0026178 k( 156) = ( 0.5345671 0.0796971 -0.0277938), wk = 0.0026178 k( 157) = ( 0.5296290 0.0879827 -0.0118916), wk = 0.0026178 k( 158) = ( 0.5246908 0.0962684 0.0040105), wk = 0.0026178 k( 159) = ( 0.5197527 0.1045541 0.0199127), wk = 0.0026178 k( 160) = ( 0.5148145 0.1128398 0.0358149), wk = 0.0026178 k( 161) = ( 0.5098763 0.1211254 0.0517170), wk = 0.0026178 k( 162) = ( 0.5049382 0.1294111 0.0676192), wk = 0.0026178 k( 163) = ( 0.5000000 0.1376968 0.0835214), wk = 0.0026178 k( 164) = ( 0.5000000 0.1376968 0.0835214), wk = 0.0026178 k( 165) = ( 0.4821429 0.1327791 0.0805385), wk = 0.0026178 k( 166) = ( 0.4642857 0.1278613 0.0775556), wk = 0.0026178 k( 167) = ( 0.4464286 0.1229436 0.0745726), wk = 0.0026178 k( 168) = ( 0.4285714 0.1180258 0.0715897), wk = 0.0026178 k( 169) = ( 0.4107143 0.1131081 0.0686068), wk = 0.0026178 k( 170) = ( 0.3928571 0.1081903 0.0656239), wk = 0.0026178 k( 171) = ( 0.3750000 0.1032726 0.0626410), wk = 0.0026178 k( 172) = ( 0.3571429 0.0983549 0.0596581), wk = 0.0026178 k( 173) = ( 0.3392857 0.0934371 0.0566752), wk = 0.0026178 k( 174) = ( 0.3214286 0.0885194 0.0536923), wk = 0.0026178 k( 175) = ( 0.3035714 0.0836016 0.0507094), wk = 0.0026178 k( 176) = ( 0.2857143 0.0786839 0.0477265), wk = 0.0026178 k( 177) = ( 0.2678571 0.0737661 0.0447436), wk = 0.0026178 k( 178) = ( 0.2500000 0.0688484 0.0417607), wk = 0.0026178 k( 179) = ( 0.2321429 0.0639307 0.0387778), wk = 0.0026178 k( 180) = ( 0.2142857 0.0590129 0.0357949), wk = 0.0026178 k( 181) = ( 0.1964286 0.0540952 0.0328120), wk = 0.0026178 k( 182) = ( 0.1785714 0.0491774 0.0298291), wk = 0.0026178 k( 183) = ( 0.1607143 0.0442597 0.0268462), wk = 0.0026178 k( 184) = ( 0.1428571 0.0393419 0.0238632), wk = 0.0026178 k( 185) = ( 0.1250000 0.0344242 0.0208803), wk = 0.0026178 k( 186) = ( 0.1071429 0.0295065 0.0178974), wk = 0.0026178 k( 187) = ( 0.0892857 0.0245887 0.0149145), wk = 0.0026178 k( 188) = ( 0.0714286 0.0196710 0.0119316), wk = 0.0026178 k( 189) = ( 0.0535714 0.0147532 0.0089487), wk = 0.0026178 k( 190) = ( 0.0357143 0.0098355 0.0059658), wk = 0.0026178 k( 191) = ( 0.0178571 0.0049177 0.0029829), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 194) = ( 0.0049562 -0.0083160 -0.0159603), wk = 0.0026178 k( 195) = ( 0.0099124 -0.0166319 -0.0319206), wk = 0.0026178 k( 196) = ( 0.0148686 -0.0249479 -0.0478809), wk = 0.0026178 k( 197) = ( 0.0198249 -0.0332638 -0.0638411), wk = 0.0026178 k( 198) = ( 0.0247811 -0.0415798 -0.0798015), wk = 0.0026178 k( 199) = ( 0.0297373 -0.0498958 -0.0957617), wk = 0.0026178 k( 200) = ( 0.0346935 -0.0582117 -0.1117220), wk = 0.0026178 k( 201) = ( 0.0396497 -0.0665277 -0.1276823), wk = 0.0026178 k( 202) = ( 0.0446059 -0.0748437 -0.1436426), wk = 0.0026178 k( 203) = ( 0.0495621 -0.0831596 -0.1596029), wk = 0.0026178 k( 204) = ( 0.0545184 -0.0914756 -0.1755632), wk = 0.0026178 k( 205) = ( 0.0594746 -0.0997916 -0.1915235), wk = 0.0026178 k( 206) = ( 0.0644308 -0.1081075 -0.2074838), wk = 0.0026178 k( 207) = ( 0.0693870 -0.1164235 -0.2234441), wk = 0.0026178 k( 208) = ( 0.0743432 -0.1247395 -0.2394044), wk = 0.0026178 k( 209) = ( 0.0792994 -0.1330554 -0.2553646), wk = 0.0026178 k( 210) = ( 0.0842556 -0.1413714 -0.2713249), wk = 0.0026178 k( 211) = ( 0.0892118 -0.1496873 -0.2872852), wk = 0.0026178 k( 212) = ( 0.0941681 -0.1580033 -0.3032455), wk = 0.0026178 k( 213) = ( 0.0991243 -0.1663193 -0.3192058), wk = 0.0026178 k( 214) = ( 0.1040805 -0.1746352 -0.3351661), wk = 0.0026178 k( 215) = ( 0.1090367 -0.1829512 -0.3511264), wk = 0.0026178 k( 216) = ( 0.1139929 -0.1912671 -0.3670867), wk = 0.0026178 k( 217) = ( 0.1189491 -0.1995831 -0.3830470), wk = 0.0026178 k( 218) = ( 0.1239053 -0.2078991 -0.3990072), wk = 0.0026178 k( 219) = ( 0.1288616 -0.2162151 -0.4149676), wk = 0.0026178 k( 220) = ( 0.1338178 -0.2245310 -0.4309278), wk = 0.0026178 k( 221) = ( 0.1387740 -0.2328470 -0.4468881), wk = 0.0026178 k( 222) = ( 0.1437302 -0.2411629 -0.4628484), wk = 0.0026178 k( 223) = ( 0.1486864 -0.2494789 -0.4788087), wk = 0.0026178 k( 224) = ( 0.1536426 -0.2577949 -0.4947690), wk = 0.0026178 k( 225) = ( 0.1585988 -0.2661108 -0.5107293), wk = 0.0026178 k( 226) = ( 0.1635551 -0.2744268 -0.5266896), wk = 0.0026178 k( 227) = ( 0.1685113 -0.2827427 -0.5426499), wk = 0.0026178 k( 228) = ( 0.1734675 -0.2910587 -0.5586102), wk = 0.0026178 k( 229) = ( 0.1784237 -0.2993747 -0.5745704), wk = 0.0026178 k( 230) = ( 0.1833799 -0.3076906 -0.5905308), wk = 0.0026178 k( 231) = ( 0.1883361 -0.3160066 -0.6064910), wk = 0.0026178 k( 232) = ( 0.1932923 -0.3243226 -0.6224513), wk = 0.0026178 k( 233) = ( 0.1982485 -0.3326385 -0.6384116), wk = 0.0026178 k( 234) = ( 0.2032048 -0.3409545 -0.6543719), wk = 0.0026178 k( 235) = ( 0.2081610 -0.3492704 -0.6703322), wk = 0.0026178 k( 236) = ( 0.2131172 -0.3575864 -0.6862925), wk = 0.0026178 k( 237) = ( 0.2180734 -0.3659024 -0.7022528), wk = 0.0026178 k( 238) = ( 0.2230296 -0.3742184 -0.7182131), wk = 0.0026178 k( 239) = ( 0.2279858 -0.3825343 -0.7341734), wk = 0.0026178 k( 240) = ( 0.2329420 -0.3908503 -0.7501336), wk = 0.0026178 k( 241) = ( 0.2378983 -0.3991662 -0.7660939), wk = 0.0026178 k( 242) = ( 0.2428545 -0.4074822 -0.7820542), wk = 0.0026178 k( 243) = ( 0.2478107 -0.4157982 -0.7980145), wk = 0.0026178 k( 244) = ( 0.2527669 -0.4241141 -0.8139748), wk = 0.0026178 k( 245) = ( 0.2577231 -0.4324301 -0.8299351), wk = 0.0026178 k( 246) = ( 0.2626793 -0.4407460 -0.8458954), wk = 0.0026178 k( 247) = ( 0.2676355 -0.4490620 -0.8618557), wk = 0.0026178 k( 248) = ( 0.2725918 -0.4573780 -0.8778160), wk = 0.0026178 k( 249) = ( 0.2775480 -0.4656939 -0.8937763), wk = 0.0026178 k( 250) = ( 0.2825042 -0.4740099 -0.9097365), wk = 0.0026178 k( 251) = ( 0.2874604 -0.4823259 -0.9256968), wk = 0.0026178 k( 252) = ( 0.2924166 -0.4906418 -0.9416571), wk = 0.0026178 k( 253) = ( 0.2973728 -0.4989578 -0.9576174), wk = 0.0026178 k( 254) = ( 0.3023290 -0.5072737 -0.9735777), wk = 0.0026178 k( 255) = ( 0.3072853 -0.5155897 -0.9895380), wk = 0.0026178 k( 256) = ( 0.3122415 -0.5239057 -1.0054983), wk = 0.0026178 k( 257) = ( 0.3171977 -0.5322216 -1.0214586), wk = 0.0026178 k( 258) = ( 0.3221539 -0.5405376 -1.0374189), wk = 0.0026178 k( 259) = ( 0.3271101 -0.5488536 -1.0533791), wk = 0.0026178 k( 260) = ( 0.3320663 -0.5571695 -1.0693395), wk = 0.0026178 k( 261) = ( 0.3370225 -0.5654855 -1.0852997), wk = 0.0026178 k( 262) = ( 0.3419787 -0.5738015 -1.1012600), wk = 0.0026178 k( 263) = ( 0.6580213 -0.4361047 -1.0177387), wk = 0.0026178 k( 264) = ( 0.6530831 -0.4181734 -1.0177387), wk = 0.0026178 k( 265) = ( 0.6481449 -0.4002421 -1.0177387), wk = 0.0026178 k( 266) = ( 0.6432068 -0.3823108 -1.0177387), wk = 0.0026178 k( 267) = ( 0.6382686 -0.3643795 -1.0177387), wk = 0.0026178 k( 268) = ( 0.6333304 -0.3464482 -1.0177387), wk = 0.0026178 k( 269) = ( 0.6283923 -0.3285169 -1.0177387), wk = 0.0026178 k( 270) = ( 0.6234541 -0.3105856 -1.0177387), wk = 0.0026178 k( 271) = ( 0.6185159 -0.2926543 -1.0177387), wk = 0.0026178 k( 272) = ( 0.6135778 -0.2747230 -1.0177387), wk = 0.0026178 k( 273) = ( 0.6086396 -0.2567917 -1.0177387), wk = 0.0026178 k( 274) = ( 0.6037014 -0.2388604 -1.0177387), wk = 0.0026178 k( 275) = ( 0.5987633 -0.2209291 -1.0177387), wk = 0.0026178 k( 276) = ( 0.5938251 -0.2029978 -1.0177387), wk = 0.0026178 k( 277) = ( 0.5888870 -0.1850665 -1.0177387), wk = 0.0026178 k( 278) = ( 0.5839488 -0.1671352 -1.0177387), wk = 0.0026178 k( 279) = ( 0.5790106 -0.1492039 -1.0177387), wk = 0.0026178 k( 280) = ( 0.5740725 -0.1312726 -1.0177387), wk = 0.0026178 k( 281) = ( 0.5691343 -0.1133413 -1.0177387), wk = 0.0026178 k( 282) = ( 0.5641961 -0.0954101 -1.0177387), wk = 0.0026178 k( 283) = ( 0.5592580 -0.0774787 -1.0177387), wk = 0.0026178 k( 284) = ( 0.5543198 -0.0595475 -1.0177387), wk = 0.0026178 k( 285) = ( 0.5493816 -0.0416161 -1.0177387), wk = 0.0026178 k( 286) = ( 0.5444435 -0.0236849 -1.0177387), wk = 0.0026178 k( 287) = ( 0.5395053 -0.0057535 -1.0177387), wk = 0.0026178 k( 288) = ( 0.5345671 0.0121777 -1.0177387), wk = 0.0026178 k( 289) = ( 0.5296290 0.0301090 -1.0177387), wk = 0.0026178 k( 290) = ( 0.5246908 0.0480403 -1.0177387), wk = 0.0026178 k( 291) = ( 0.5197527 0.0659716 -1.0177387), wk = 0.0026178 k( 292) = ( 0.5148145 0.0839029 -1.0177387), wk = 0.0026178 k( 293) = ( 0.5098763 0.1018342 -1.0177387), wk = 0.0026178 k( 294) = ( 0.5049382 0.1197655 -1.0177387), wk = 0.0026178 k( 295) = ( 0.5000000 0.1376968 -1.0177387), wk = 0.0026178 k( 296) = ( 0.5000000 0.1376968 -1.0177387), wk = 0.0026178 k( 297) = ( 0.5158021 0.1420486 -1.0093865), wk = 0.0026178 k( 298) = ( 0.5316043 0.1464004 -1.0010344), wk = 0.0026178 k( 299) = ( 0.5474064 0.1507522 -0.9926822), wk = 0.0026178 k( 300) = ( 0.5632085 0.1551040 -0.9843301), wk = 0.0026178 k( 301) = ( 0.5790106 0.1594558 -0.9759780), wk = 0.0026178 k( 302) = ( 0.5948128 0.1638076 -0.9676258), wk = 0.0026178 k( 303) = ( 0.6106149 0.1681594 -0.9592737), wk = 0.0026178 k( 304) = ( 0.6264170 0.1725112 -0.9509216), wk = 0.0026178 k( 305) = ( 0.6422191 0.1768630 -0.9425694), wk = 0.0026178 k( 306) = ( 0.6580213 0.1812149 -0.9342173), wk = 0.0026178 k( 307) = ( 0.6580213 0.1812149 -0.9342173), wk = 0.0026178 k( 308) = ( 0.6551481 0.1804236 -0.9157129), wk = 0.0026178 k( 309) = ( 0.6522750 0.1796324 -0.8972086), wk = 0.0026178 k( 310) = ( 0.6494019 0.1788411 -0.8787043), wk = 0.0026178 k( 311) = ( 0.6465288 0.1780499 -0.8601999), wk = 0.0026178 k( 312) = ( 0.6436557 0.1772587 -0.8416956), wk = 0.0026178 k( 313) = ( 0.6407826 0.1764674 -0.8231912), wk = 0.0026178 k( 314) = ( 0.6379095 0.1756762 -0.8046869), wk = 0.0026178 k( 315) = ( 0.6350364 0.1748850 -0.7861826), wk = 0.0026178 k( 316) = ( 0.6321632 0.1740937 -0.7676782), wk = 0.0026178 k( 317) = ( 0.6292901 0.1733025 -0.7491739), wk = 0.0026178 k( 318) = ( 0.6264170 0.1725112 -0.7306696), wk = 0.0026178 k( 319) = ( 0.6235439 0.1717200 -0.7121652), wk = 0.0026178 k( 320) = ( 0.6206708 0.1709288 -0.6936609), wk = 0.0026178 k( 321) = ( 0.6177977 0.1701375 -0.6751565), wk = 0.0026178 k( 322) = ( 0.6149246 0.1693463 -0.6566522), wk = 0.0026178 k( 323) = ( 0.6120514 0.1685551 -0.6381479), wk = 0.0026178 k( 324) = ( 0.6091783 0.1677638 -0.6196435), wk = 0.0026178 k( 325) = ( 0.6063052 0.1669726 -0.6011392), wk = 0.0026178 k( 326) = ( 0.6034321 0.1661813 -0.5826348), wk = 0.0026178 k( 327) = ( 0.6005590 0.1653901 -0.5641305), wk = 0.0026178 k( 328) = ( 0.5976859 0.1645989 -0.5456262), wk = 0.0026178 k( 329) = ( 0.5948128 0.1638076 -0.5271218), wk = 0.0026178 k( 330) = ( 0.5919396 0.1630164 -0.5086175), wk = 0.0026178 k( 331) = ( 0.5890665 0.1622252 -0.4901131), wk = 0.0026178 k( 332) = ( 0.5861934 0.1614339 -0.4716088), wk = 0.0026178 k( 333) = ( 0.5833203 0.1606427 -0.4531045), wk = 0.0026178 k( 334) = ( 0.5804472 0.1598514 -0.4346001), wk = 0.0026178 k( 335) = ( 0.5775741 0.1590602 -0.4160958), wk = 0.0026178 k( 336) = ( 0.5747010 0.1582690 -0.3975915), wk = 0.0026178 k( 337) = ( 0.5718278 0.1574777 -0.3790871), wk = 0.0026178 k( 338) = ( 0.5689547 0.1566865 -0.3605828), wk = 0.0026178 k( 339) = ( 0.5660816 0.1558953 -0.3420784), wk = 0.0026178 k( 340) = ( 0.5632085 0.1551040 -0.3235741), wk = 0.0026178 k( 341) = ( 0.5603354 0.1543128 -0.3050698), wk = 0.0026178 k( 342) = ( 0.5574623 0.1535216 -0.2865654), wk = 0.0026178 k( 343) = ( 0.5545892 0.1527303 -0.2680611), wk = 0.0026178 k( 344) = ( 0.5517161 0.1519391 -0.2495568), wk = 0.0026178 k( 345) = ( 0.5488429 0.1511478 -0.2310524), wk = 0.0026178 k( 346) = ( 0.5459698 0.1503566 -0.2125481), wk = 0.0026178 k( 347) = ( 0.5430967 0.1495654 -0.1940437), wk = 0.0026178 k( 348) = ( 0.5402236 0.1487741 -0.1755394), wk = 0.0026178 k( 349) = ( 0.5373505 0.1479829 -0.1570350), wk = 0.0026178 k( 350) = ( 0.5344774 0.1471917 -0.1385307), wk = 0.0026178 k( 351) = ( 0.5316043 0.1464004 -0.1200264), wk = 0.0026178 k( 352) = ( 0.5287311 0.1456092 -0.1015220), wk = 0.0026178 k( 353) = ( 0.5258580 0.1448179 -0.0830177), wk = 0.0026178 k( 354) = ( 0.5229849 0.1440267 -0.0645133), wk = 0.0026178 k( 355) = ( 0.5201118 0.1432355 -0.0460090), wk = 0.0026178 k( 356) = ( 0.5172387 0.1424442 -0.0275047), wk = 0.0026178 k( 357) = ( 0.5143656 0.1416530 -0.0090003), wk = 0.0026178 k( 358) = ( 0.5114925 0.1408618 0.0095040), wk = 0.0026178 k( 359) = ( 0.5086193 0.1400705 0.0280084), wk = 0.0026178 k( 360) = ( 0.5057462 0.1392793 0.0465127), wk = 0.0026178 k( 361) = ( 0.5028731 0.1384880 0.0650170), wk = 0.0026178 k( 362) = ( 0.5000000 0.1376968 0.0835214), wk = 0.0026178 k( 363) = ( 0.5000000 -0.8389432 -0.5088693), wk = 0.0026178 k( 364) = ( 0.5166338 -0.8316960 -0.5044735), wk = 0.0026178 k( 365) = ( 0.5332676 -0.8244488 -0.5000776), wk = 0.0026178 k( 366) = ( 0.5499015 -0.8172016 -0.4956817), wk = 0.0026178 k( 367) = ( 0.5665353 -0.8099544 -0.4912859), wk = 0.0026178 k( 368) = ( 0.5831691 -0.8027072 -0.4868900), wk = 0.0026178 k( 369) = ( 0.5998029 -0.7954600 -0.4824942), wk = 0.0026178 k( 370) = ( 0.6164367 -0.7882128 -0.4780983), wk = 0.0026178 k( 371) = ( 0.6330705 -0.7809656 -0.4737024), wk = 0.0026178 k( 372) = ( 0.6497044 -0.7737184 -0.4693066), wk = 0.0026178 k( 373) = ( 0.6663382 -0.7664712 -0.4649107), wk = 0.0026178 k( 374) = ( 0.6829720 -0.7592240 -0.4605149), wk = 0.0026178 k( 375) = ( 0.6996058 -0.7519768 -0.4561190), wk = 0.0026178 k( 376) = ( 0.7162396 -0.7447296 -0.4517231), wk = 0.0026178 k( 377) = ( 0.7328734 -0.7374824 -0.4473273), wk = 0.0026178 k( 378) = ( 0.7495072 -0.7302352 -0.4429314), wk = 0.0026178 k( 379) = ( 0.7661411 -0.7229880 -0.4385355), wk = 0.0026178 k( 380) = ( 0.7827749 -0.7157408 -0.4341397), wk = 0.0026178 k( 381) = ( 0.7994087 -0.7084936 -0.4297438), wk = 0.0026178 k( 382) = ( 0.8160425 -0.7012464 -0.4253480), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0084746 0.0000000 0.0000000), wk = 0.0026178 k( 3) = ( 0.0169491 0.0000000 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0254237 0.0000000 0.0000000), wk = 0.0026178 k( 5) = ( 0.0338983 0.0000000 0.0000000), wk = 0.0026178 k( 6) = ( 0.0423729 0.0000000 0.0000000), wk = 0.0026178 k( 7) = ( 0.0508475 0.0000000 0.0000000), wk = 0.0026178 k( 8) = ( 0.0593220 0.0000000 0.0000000), wk = 0.0026178 k( 9) = ( 0.0677966 0.0000000 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0762712 0.0000000 0.0000000), wk = 0.0026178 k( 11) = ( 0.0847458 0.0000000 0.0000000), wk = 0.0026178 k( 12) = ( 0.0932203 0.0000000 -0.0000000), wk = 0.0026178 k( 13) = ( 0.1016949 0.0000000 0.0000000), wk = 0.0026178 k( 14) = ( 0.1101695 0.0000000 0.0000000), wk = 0.0026178 k( 15) = ( 0.1186441 0.0000000 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1271186 0.0000000 0.0000000), wk = 0.0026178 k( 17) = ( 0.1355932 0.0000000 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1440678 0.0000000 0.0000000), wk = 0.0026178 k( 19) = ( 0.1525424 0.0000000 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1610169 0.0000000 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1694915 0.0000000 0.0000000), wk = 0.0026178 k( 22) = ( 0.1779661 0.0000000 0.0000000), wk = 0.0026178 k( 23) = ( 0.1864407 0.0000000 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1949153 0.0000000 0.0000000), wk = 0.0026178 k( 25) = ( 0.2033898 0.0000000 0.0000000), wk = 0.0026178 k( 26) = ( 0.2118644 0.0000000 0.0000000), wk = 0.0026178 k( 27) = ( 0.2203390 0.0000000 0.0000000), wk = 0.0026178 k( 28) = ( 0.2288136 0.0000000 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2372881 0.0000000 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2457627 0.0000000 0.0000000), wk = 0.0026178 k( 31) = ( 0.2542373 0.0000000 0.0000000), wk = 0.0026178 k( 32) = ( 0.2627119 0.0000000 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2711864 0.0000000 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2796610 0.0000000 0.0000000), wk = 0.0026178 k( 35) = ( 0.2881356 0.0000000 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2966102 -0.0000000 -0.0000000), wk = 0.0026178 k( 37) = ( 0.3050848 0.0000000 -0.0000000), wk = 0.0026178 k( 38) = ( 0.3135593 0.0000000 -0.0000000), wk = 0.0026178 k( 39) = ( 0.3220339 0.0000000 -0.0000000), wk = 0.0026178 k( 40) = ( 0.3305085 0.0000000 -0.0000000), wk = 0.0026178 k( 41) = ( 0.3389831 0.0000000 0.0000000), wk = 0.0026178 k( 42) = ( 0.3474576 0.0000000 -0.0000000), wk = 0.0026178 k( 43) = ( 0.3559322 0.0000000 0.0000000), wk = 0.0026178 k( 44) = ( 0.3644068 0.0000000 0.0000000), wk = 0.0026178 k( 45) = ( 0.3728814 0.0000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.3813559 0.0000000 0.0000000), wk = 0.0026178 k( 47) = ( 0.3898305 0.0000000 0.0000000), wk = 0.0026178 k( 48) = ( 0.3983051 0.0000000 0.0000000), wk = 0.0026178 k( 49) = ( 0.4067797 0.0000000 0.0000000), wk = 0.0026178 k( 50) = ( 0.4152542 0.0000000 0.0000000), wk = 0.0026178 k( 51) = ( 0.4237288 0.0000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.4322034 -0.0000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.4406780 0.0000000 0.0000000), wk = 0.0026178 k( 54) = ( 0.4491525 0.0000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.4576271 0.0000000 -0.0000000), wk = 0.0026178 k( 56) = ( 0.4661017 0.0000000 0.0000000), wk = 0.0026178 k( 57) = ( 0.4745763 0.0000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.4830508 0.0000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.4915254 0.0000000 0.0000000), wk = 0.0026178 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026178 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026178 k( 62) = ( 0.5000000 0.0049718 -0.0049718), wk = 0.0026178 k( 63) = ( 0.5000000 0.0099437 -0.0099437), wk = 0.0026178 k( 64) = ( 0.5000000 0.0149155 -0.0149155), wk = 0.0026178 k( 65) = ( 0.5000000 0.0198873 -0.0198873), wk = 0.0026178 k( 66) = ( 0.5000000 0.0248591 -0.0248591), wk = 0.0026178 k( 67) = ( 0.5000000 0.0298309 -0.0298309), wk = 0.0026178 k( 68) = ( 0.5000000 0.0348028 -0.0348028), wk = 0.0026178 k( 69) = ( 0.5000000 0.0397746 -0.0397746), wk = 0.0026178 k( 70) = ( 0.5000000 0.0447464 -0.0447464), wk = 0.0026178 k( 71) = ( 0.5000000 0.0497182 -0.0497182), wk = 0.0026178 k( 72) = ( 0.5000000 0.0546901 -0.0546901), wk = 0.0026178 k( 73) = ( 0.5000000 0.0596619 -0.0596619), wk = 0.0026178 k( 74) = ( 0.5000000 0.0646337 -0.0646337), wk = 0.0026178 k( 75) = ( 0.5000000 0.0696055 -0.0696055), wk = 0.0026178 k( 76) = ( 0.5000000 0.0745774 -0.0745774), wk = 0.0026178 k( 77) = ( 0.5000000 0.0795492 -0.0795492), wk = 0.0026178 k( 78) = ( 0.5000000 0.0845210 -0.0845210), wk = 0.0026178 k( 79) = ( 0.5000000 0.0894928 -0.0894928), wk = 0.0026178 k( 80) = ( 0.5000000 0.0944647 -0.0944647), wk = 0.0026178 k( 81) = ( 0.5000000 0.0994365 -0.0994365), wk = 0.0026178 k( 82) = ( 0.5000000 0.1044083 -0.1044083), wk = 0.0026178 k( 83) = ( 0.5000000 0.1093801 -0.1093801), wk = 0.0026178 k( 84) = ( 0.5000000 0.1143520 -0.1143519), wk = 0.0026178 k( 85) = ( 0.5000000 0.1193238 -0.1193238), wk = 0.0026178 k( 86) = ( 0.5000000 0.1242956 -0.1242956), wk = 0.0026178 k( 87) = ( 0.5000000 0.1292674 -0.1292674), wk = 0.0026178 k( 88) = ( 0.5000000 0.1342393 -0.1342393), wk = 0.0026178 k( 89) = ( 0.5000000 0.1392111 -0.1392111), wk = 0.0026178 k( 90) = ( 0.5000000 0.1441829 -0.1441829), wk = 0.0026178 k( 91) = ( 0.5000000 0.1491547 -0.1491547), wk = 0.0026178 k( 92) = ( 0.5000000 0.1541265 -0.1541265), wk = 0.0026178 k( 93) = ( 0.5000000 0.1590984 -0.1590984), wk = 0.0026178 k( 94) = ( 0.5000000 0.1640702 -0.1640702), wk = 0.0026178 k( 95) = ( 0.5000000 0.1690420 -0.1690420), wk = 0.0026178 k( 96) = ( 0.5000000 0.1740138 -0.1740138), wk = 0.0026178 k( 97) = ( 0.5000000 0.1789857 -0.1789857), wk = 0.0026178 k( 98) = ( 0.5000000 0.1839575 -0.1839575), wk = 0.0026178 k( 99) = ( 0.8160425 0.5000000 0.1839575), wk = 0.0026178 k( 100) = ( 0.8111044 0.5000000 0.1888956), wk = 0.0026178 k( 101) = ( 0.8061662 0.5000000 0.1938338), wk = 0.0026178 k( 102) = ( 0.8012280 0.5000000 0.1987720), wk = 0.0026178 k( 103) = ( 0.7962899 0.5000000 0.2037101), wk = 0.0026178 k( 104) = ( 0.7913517 0.5000000 0.2086483), wk = 0.0026178 k( 105) = ( 0.7864135 0.5000000 0.2135865), wk = 0.0026178 k( 106) = ( 0.7814754 0.5000000 0.2185246), wk = 0.0026178 k( 107) = ( 0.7765372 0.5000000 0.2234628), wk = 0.0026178 k( 108) = ( 0.7715990 0.5000000 0.2284010), wk = 0.0026178 k( 109) = ( 0.7666609 0.5000000 0.2333391), wk = 0.0026178 k( 110) = ( 0.7617227 0.5000000 0.2382773), wk = 0.0026178 k( 111) = ( 0.7567845 0.5000000 0.2432155), wk = 0.0026178 k( 112) = ( 0.7518464 0.5000000 0.2481536), wk = 0.0026178 k( 113) = ( 0.7469082 0.5000000 0.2530918), wk = 0.0026178 k( 114) = ( 0.7419701 0.5000000 0.2580300), wk = 0.0026178 k( 115) = ( 0.7370319 0.5000000 0.2629681), wk = 0.0026178 k( 116) = ( 0.7320937 0.5000000 0.2679063), wk = 0.0026178 k( 117) = ( 0.7271556 0.5000000 0.2728444), wk = 0.0026178 k( 118) = ( 0.7222174 0.5000000 0.2777826), wk = 0.0026178 k( 119) = ( 0.7172792 0.5000000 0.2827208), wk = 0.0026178 k( 120) = ( 0.7123411 0.5000000 0.2876589), wk = 0.0026178 k( 121) = ( 0.7074029 0.5000000 0.2925971), wk = 0.0026178 k( 122) = ( 0.7024647 0.5000000 0.2975353), wk = 0.0026178 k( 123) = ( 0.6975266 0.5000000 0.3024734), wk = 0.0026178 k( 124) = ( 0.6925884 0.5000000 0.3074116), wk = 0.0026178 k( 125) = ( 0.6876502 0.5000000 0.3123498), wk = 0.0026178 k( 126) = ( 0.6827121 0.5000000 0.3172879), wk = 0.0026178 k( 127) = ( 0.6777739 0.5000000 0.3222261), wk = 0.0026178 k( 128) = ( 0.6728357 0.5000000 0.3271643), wk = 0.0026178 k( 129) = ( 0.6678976 0.5000000 0.3321024), wk = 0.0026178 k( 130) = ( 0.6629594 0.5000000 0.3370406), wk = 0.0026178 k( 131) = ( 0.6580213 0.5000000 0.3419787), wk = 0.0026178 k( 132) = ( 0.6530831 0.5000000 0.3469169), wk = 0.0026178 k( 133) = ( 0.6481449 0.5000000 0.3518551), wk = 0.0026178 k( 134) = ( 0.6432068 0.5000000 0.3567932), wk = 0.0026178 k( 135) = ( 0.6382686 0.5000000 0.3617314), wk = 0.0026178 k( 136) = ( 0.6333304 0.5000000 0.3666696), wk = 0.0026178 k( 137) = ( 0.6283923 0.5000000 0.3716077), wk = 0.0026178 k( 138) = ( 0.6234541 0.5000000 0.3765459), wk = 0.0026178 k( 139) = ( 0.6185159 0.5000000 0.3814841), wk = 0.0026178 k( 140) = ( 0.6135778 0.5000000 0.3864222), wk = 0.0026178 k( 141) = ( 0.6086396 0.5000000 0.3913604), wk = 0.0026178 k( 142) = ( 0.6037014 0.5000000 0.3962986), wk = 0.0026178 k( 143) = ( 0.5987633 0.5000000 0.4012367), wk = 0.0026178 k( 144) = ( 0.5938251 0.5000000 0.4061749), wk = 0.0026178 k( 145) = ( 0.5888870 0.5000000 0.4111130), wk = 0.0026178 k( 146) = ( 0.5839488 0.5000000 0.4160512), wk = 0.0026178 k( 147) = ( 0.5790106 0.5000000 0.4209894), wk = 0.0026178 k( 148) = ( 0.5740725 0.5000000 0.4259275), wk = 0.0026178 k( 149) = ( 0.5691343 0.5000000 0.4308657), wk = 0.0026178 k( 150) = ( 0.5641961 0.5000000 0.4358039), wk = 0.0026178 k( 151) = ( 0.5592580 0.5000000 0.4407420), wk = 0.0026178 k( 152) = ( 0.5543198 0.5000000 0.4456802), wk = 0.0026178 k( 153) = ( 0.5493816 0.5000000 0.4506184), wk = 0.0026178 k( 154) = ( 0.5444435 0.5000000 0.4555565), wk = 0.0026178 k( 155) = ( 0.5395053 0.5000000 0.4604947), wk = 0.0026178 k( 156) = ( 0.5345671 0.5000000 0.4654329), wk = 0.0026178 k( 157) = ( 0.5296290 0.5000000 0.4703710), wk = 0.0026178 k( 158) = ( 0.5246908 0.5000000 0.4753092), wk = 0.0026178 k( 159) = ( 0.5197527 0.5000000 0.4802473), wk = 0.0026178 k( 160) = ( 0.5148145 0.5000000 0.4851855), wk = 0.0026178 k( 161) = ( 0.5098763 0.5000000 0.4901237), wk = 0.0026178 k( 162) = ( 0.5049382 0.5000000 0.4950618), wk = 0.0026178 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 164) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 165) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0026178 k( 166) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0026178 k( 167) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0026178 k( 168) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026178 k( 169) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0026178 k( 170) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0026178 k( 171) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0026178 k( 172) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026178 k( 173) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0026178 k( 174) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0026178 k( 175) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0026178 k( 176) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026178 k( 177) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0026178 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026178 k( 179) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0026178 k( 180) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026178 k( 181) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0026178 k( 182) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0026178 k( 183) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0026178 k( 184) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026178 k( 185) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0026178 k( 186) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0026178 k( 187) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0026178 k( 188) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026178 k( 189) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0026178 k( 190) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0026178 k( 191) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 194) = ( 0.0049562 0.0000000 -0.0049562), wk = 0.0026178 k( 195) = ( 0.0099124 0.0000000 -0.0099124), wk = 0.0026178 k( 196) = ( 0.0148686 0.0000000 -0.0148686), wk = 0.0026178 k( 197) = ( 0.0198249 -0.0000000 -0.0198249), wk = 0.0026178 k( 198) = ( 0.0247811 0.0000000 -0.0247811), wk = 0.0026178 k( 199) = ( 0.0297373 0.0000000 -0.0297373), wk = 0.0026178 k( 200) = ( 0.0346935 0.0000000 -0.0346935), wk = 0.0026178 k( 201) = ( 0.0396497 0.0000000 -0.0396497), wk = 0.0026178 k( 202) = ( 0.0446059 0.0000000 -0.0446059), wk = 0.0026178 k( 203) = ( 0.0495621 0.0000000 -0.0495621), wk = 0.0026178 k( 204) = ( 0.0545184 0.0000000 -0.0545184), wk = 0.0026178 k( 205) = ( 0.0594746 0.0000000 -0.0594746), wk = 0.0026178 k( 206) = ( 0.0644308 0.0000000 -0.0644308), wk = 0.0026178 k( 207) = ( 0.0693870 0.0000000 -0.0693870), wk = 0.0026178 k( 208) = ( 0.0743432 0.0000000 -0.0743432), wk = 0.0026178 k( 209) = ( 0.0792994 0.0000000 -0.0792994), wk = 0.0026178 k( 210) = ( 0.0842556 0.0000000 -0.0842556), wk = 0.0026178 k( 211) = ( 0.0892118 0.0000000 -0.0892119), wk = 0.0026178 k( 212) = ( 0.0941681 0.0000000 -0.0941681), wk = 0.0026178 k( 213) = ( 0.0991243 0.0000000 -0.0991243), wk = 0.0026178 k( 214) = ( 0.1040805 0.0000000 -0.1040805), wk = 0.0026178 k( 215) = ( 0.1090367 0.0000000 -0.1090367), wk = 0.0026178 k( 216) = ( 0.1139929 0.0000000 -0.1139929), wk = 0.0026178 k( 217) = ( 0.1189491 0.0000000 -0.1189491), wk = 0.0026178 k( 218) = ( 0.1239053 0.0000000 -0.1239053), wk = 0.0026178 k( 219) = ( 0.1288616 0.0000000 -0.1288616), wk = 0.0026178 k( 220) = ( 0.1338178 0.0000000 -0.1338178), wk = 0.0026178 k( 221) = ( 0.1387740 0.0000000 -0.1387740), wk = 0.0026178 k( 222) = ( 0.1437302 0.0000000 -0.1437302), wk = 0.0026178 k( 223) = ( 0.1486864 0.0000000 -0.1486864), wk = 0.0026178 k( 224) = ( 0.1536426 0.0000000 -0.1536426), wk = 0.0026178 k( 225) = ( 0.1585988 0.0000000 -0.1585988), wk = 0.0026178 k( 226) = ( 0.1635551 0.0000000 -0.1635551), wk = 0.0026178 k( 227) = ( 0.1685113 0.0000000 -0.1685113), wk = 0.0026178 k( 228) = ( 0.1734675 0.0000000 -0.1734675), wk = 0.0026178 k( 229) = ( 0.1784237 0.0000000 -0.1784237), wk = 0.0026178 k( 230) = ( 0.1833799 -0.0000000 -0.1833799), wk = 0.0026178 k( 231) = ( 0.1883361 0.0000000 -0.1883361), wk = 0.0026178 k( 232) = ( 0.1932923 0.0000000 -0.1932923), wk = 0.0026178 k( 233) = ( 0.1982485 -0.0000000 -0.1982486), wk = 0.0026178 k( 234) = ( 0.2032048 0.0000000 -0.2032048), wk = 0.0026178 k( 235) = ( 0.2081610 0.0000000 -0.2081610), wk = 0.0026178 k( 236) = ( 0.2131172 0.0000000 -0.2131172), wk = 0.0026178 k( 237) = ( 0.2180734 0.0000000 -0.2180734), wk = 0.0026178 k( 238) = ( 0.2230296 0.0000000 -0.2230296), wk = 0.0026178 k( 239) = ( 0.2279858 0.0000000 -0.2279858), wk = 0.0026178 k( 240) = ( 0.2329420 0.0000000 -0.2329420), wk = 0.0026178 k( 241) = ( 0.2378983 0.0000000 -0.2378983), wk = 0.0026178 k( 242) = ( 0.2428545 0.0000000 -0.2428545), wk = 0.0026178 k( 243) = ( 0.2478107 0.0000000 -0.2478107), wk = 0.0026178 k( 244) = ( 0.2527669 0.0000000 -0.2527669), wk = 0.0026178 k( 245) = ( 0.2577231 0.0000000 -0.2577231), wk = 0.0026178 k( 246) = ( 0.2626793 0.0000000 -0.2626793), wk = 0.0026178 k( 247) = ( 0.2676355 0.0000000 -0.2676355), wk = 0.0026178 k( 248) = ( 0.2725918 0.0000000 -0.2725918), wk = 0.0026178 k( 249) = ( 0.2775480 0.0000000 -0.2775480), wk = 0.0026178 k( 250) = ( 0.2825042 0.0000000 -0.2825042), wk = 0.0026178 k( 251) = ( 0.2874604 0.0000000 -0.2874604), wk = 0.0026178 k( 252) = ( 0.2924166 0.0000000 -0.2924166), wk = 0.0026178 k( 253) = ( 0.2973728 0.0000000 -0.2973728), wk = 0.0026178 k( 254) = ( 0.3023290 0.0000000 -0.3023290), wk = 0.0026178 k( 255) = ( 0.3072853 -0.0000000 -0.3072853), wk = 0.0026178 k( 256) = ( 0.3122415 0.0000000 -0.3122415), wk = 0.0026178 k( 257) = ( 0.3171977 0.0000000 -0.3171977), wk = 0.0026178 k( 258) = ( 0.3221539 0.0000000 -0.3221539), wk = 0.0026178 k( 259) = ( 0.3271101 0.0000000 -0.3271101), wk = 0.0026178 k( 260) = ( 0.3320663 0.0000000 -0.3320663), wk = 0.0026178 k( 261) = ( 0.3370225 -0.0000000 -0.3370225), wk = 0.0026178 k( 262) = ( 0.3419787 0.0000000 -0.3419787), wk = 0.0026178 k( 263) = ( 0.6580213 0.3419787 -0.0000000), wk = 0.0026178 k( 264) = ( 0.6530831 0.3469169 -0.0000000), wk = 0.0026178 k( 265) = ( 0.6481449 0.3518551 0.0000000), wk = 0.0026178 k( 266) = ( 0.6432068 0.3567932 -0.0000000), wk = 0.0026178 k( 267) = ( 0.6382686 0.3617314 0.0000000), wk = 0.0026178 k( 268) = ( 0.6333304 0.3666696 -0.0000000), wk = 0.0026178 k( 269) = ( 0.6283923 0.3716077 0.0000000), wk = 0.0026178 k( 270) = ( 0.6234541 0.3765459 0.0000000), wk = 0.0026178 k( 271) = ( 0.6185159 0.3814841 -0.0000000), wk = 0.0026178 k( 272) = ( 0.6135778 0.3864222 -0.0000000), wk = 0.0026178 k( 273) = ( 0.6086396 0.3913604 0.0000000), wk = 0.0026178 k( 274) = ( 0.6037014 0.3962986 0.0000000), wk = 0.0026178 k( 275) = ( 0.5987633 0.4012367 -0.0000000), wk = 0.0026178 k( 276) = ( 0.5938251 0.4061749 0.0000000), wk = 0.0026178 k( 277) = ( 0.5888870 0.4111130 0.0000000), wk = 0.0026178 k( 278) = ( 0.5839488 0.4160512 0.0000000), wk = 0.0026178 k( 279) = ( 0.5790106 0.4209894 -0.0000000), wk = 0.0026178 k( 280) = ( 0.5740725 0.4259275 0.0000000), wk = 0.0026178 k( 281) = ( 0.5691343 0.4308657 0.0000000), wk = 0.0026178 k( 282) = ( 0.5641961 0.4358039 -0.0000000), wk = 0.0026178 k( 283) = ( 0.5592580 0.4407420 0.0000000), wk = 0.0026178 k( 284) = ( 0.5543198 0.4456802 -0.0000000), wk = 0.0026178 k( 285) = ( 0.5493816 0.4506184 0.0000000), wk = 0.0026178 k( 286) = ( 0.5444435 0.4555565 0.0000000), wk = 0.0026178 k( 287) = ( 0.5395053 0.4604947 0.0000000), wk = 0.0026178 k( 288) = ( 0.5345671 0.4654329 0.0000000), wk = 0.0026178 k( 289) = ( 0.5296290 0.4703710 -0.0000000), wk = 0.0026178 k( 290) = ( 0.5246908 0.4753092 0.0000000), wk = 0.0026178 k( 291) = ( 0.5197527 0.4802473 -0.0000000), wk = 0.0026178 k( 292) = ( 0.5148145 0.4851855 0.0000000), wk = 0.0026178 k( 293) = ( 0.5098763 0.4901237 0.0000000), wk = 0.0026178 k( 294) = ( 0.5049382 0.4950618 -0.0000000), wk = 0.0026178 k( 295) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 296) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 297) = ( 0.5158021 0.5158021 0.0183957), wk = 0.0026178 k( 298) = ( 0.5316043 0.5316043 0.0367915), wk = 0.0026178 k( 299) = ( 0.5474064 0.5474064 0.0551873), wk = 0.0026178 k( 300) = ( 0.5632085 0.5632085 0.0735830), wk = 0.0026178 k( 301) = ( 0.5790106 0.5790106 0.0919787), wk = 0.0026178 k( 302) = ( 0.5948128 0.5948128 0.1103745), wk = 0.0026178 k( 303) = ( 0.6106149 0.6106149 0.1287702), wk = 0.0026178 k( 304) = ( 0.6264170 0.6264170 0.1471660), wk = 0.0026178 k( 305) = ( 0.6422191 0.6422191 0.1655617), wk = 0.0026178 k( 306) = ( 0.6580213 0.6580213 0.1839575), wk = 0.0026178 k( 307) = ( 0.6580213 0.6580213 0.1839575), wk = 0.0026178 k( 308) = ( 0.6551481 0.6551481 0.1897037), wk = 0.0026178 k( 309) = ( 0.6522750 0.6522750 0.1954499), wk = 0.0026178 k( 310) = ( 0.6494019 0.6494019 0.2011962), wk = 0.0026178 k( 311) = ( 0.6465288 0.6465288 0.2069424), wk = 0.0026178 k( 312) = ( 0.6436557 0.6436557 0.2126886), wk = 0.0026178 k( 313) = ( 0.6407826 0.6407826 0.2184349), wk = 0.0026178 k( 314) = ( 0.6379095 0.6379095 0.2241811), wk = 0.0026178 k( 315) = ( 0.6350364 0.6350364 0.2299273), wk = 0.0026178 k( 316) = ( 0.6321632 0.6321632 0.2356735), wk = 0.0026178 k( 317) = ( 0.6292901 0.6292901 0.2414198), wk = 0.0026178 k( 318) = ( 0.6264170 0.6264170 0.2471660), wk = 0.0026178 k( 319) = ( 0.6235439 0.6235439 0.2529122), wk = 0.0026178 k( 320) = ( 0.6206708 0.6206708 0.2586584), wk = 0.0026178 k( 321) = ( 0.6177977 0.6177977 0.2644047), wk = 0.0026178 k( 322) = ( 0.6149246 0.6149246 0.2701509), wk = 0.0026178 k( 323) = ( 0.6120514 0.6120514 0.2758971), wk = 0.0026178 k( 324) = ( 0.6091783 0.6091783 0.2816434), wk = 0.0026178 k( 325) = ( 0.6063052 0.6063052 0.2873896), wk = 0.0026178 k( 326) = ( 0.6034321 0.6034321 0.2931358), wk = 0.0026178 k( 327) = ( 0.6005590 0.6005590 0.2988820), wk = 0.0026178 k( 328) = ( 0.5976859 0.5976859 0.3046283), wk = 0.0026178 k( 329) = ( 0.5948128 0.5948128 0.3103745), wk = 0.0026178 k( 330) = ( 0.5919396 0.5919396 0.3161207), wk = 0.0026178 k( 331) = ( 0.5890665 0.5890665 0.3218670), wk = 0.0026178 k( 332) = ( 0.5861934 0.5861934 0.3276132), wk = 0.0026178 k( 333) = ( 0.5833203 0.5833203 0.3333594), wk = 0.0026178 k( 334) = ( 0.5804472 0.5804472 0.3391056), wk = 0.0026178 k( 335) = ( 0.5775741 0.5775741 0.3448519), wk = 0.0026178 k( 336) = ( 0.5747010 0.5747010 0.3505981), wk = 0.0026178 k( 337) = ( 0.5718278 0.5718278 0.3563443), wk = 0.0026178 k( 338) = ( 0.5689547 0.5689547 0.3620905), wk = 0.0026178 k( 339) = ( 0.5660816 0.5660816 0.3678368), wk = 0.0026178 k( 340) = ( 0.5632085 0.5632085 0.3735830), wk = 0.0026178 k( 341) = ( 0.5603354 0.5603354 0.3793292), wk = 0.0026178 k( 342) = ( 0.5574623 0.5574623 0.3850754), wk = 0.0026178 k( 343) = ( 0.5545892 0.5545892 0.3908217), wk = 0.0026178 k( 344) = ( 0.5517161 0.5517161 0.3965679), wk = 0.0026178 k( 345) = ( 0.5488429 0.5488429 0.4023141), wk = 0.0026178 k( 346) = ( 0.5459698 0.5459698 0.4080604), wk = 0.0026178 k( 347) = ( 0.5430967 0.5430967 0.4138066), wk = 0.0026178 k( 348) = ( 0.5402236 0.5402236 0.4195528), wk = 0.0026178 k( 349) = ( 0.5373505 0.5373505 0.4252990), wk = 0.0026178 k( 350) = ( 0.5344774 0.5344774 0.4310453), wk = 0.0026178 k( 351) = ( 0.5316043 0.5316043 0.4367915), wk = 0.0026178 k( 352) = ( 0.5287311 0.5287311 0.4425377), wk = 0.0026178 k( 353) = ( 0.5258580 0.5258580 0.4482840), wk = 0.0026178 k( 354) = ( 0.5229849 0.5229849 0.4540302), wk = 0.0026178 k( 355) = ( 0.5201118 0.5201118 0.4597764), wk = 0.0026178 k( 356) = ( 0.5172387 0.5172387 0.4655226), wk = 0.0026178 k( 357) = ( 0.5143656 0.5143656 0.4712689), wk = 0.0026178 k( 358) = ( 0.5114925 0.5114925 0.4770151), wk = 0.0026178 k( 359) = ( 0.5086193 0.5086193 0.4827613), wk = 0.0026178 k( 360) = ( 0.5057462 0.5057462 0.4885075), wk = 0.0026178 k( 361) = ( 0.5028731 0.5028731 0.4942538), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 363) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026178 k( 364) = ( 0.5166338 0.0179989 0.0179989), wk = 0.0026178 k( 365) = ( 0.5332676 0.0359978 0.0359978), wk = 0.0026178 k( 366) = ( 0.5499015 0.0539966 0.0539966), wk = 0.0026178 k( 367) = ( 0.5665353 0.0719955 0.0719955), wk = 0.0026178 k( 368) = ( 0.5831691 0.0899944 0.0899944), wk = 0.0026178 k( 369) = ( 0.5998029 0.1079933 0.1079933), wk = 0.0026178 k( 370) = ( 0.6164367 0.1259922 0.1259922), wk = 0.0026178 k( 371) = ( 0.6330705 0.1439911 0.1439911), wk = 0.0026178 k( 372) = ( 0.6497044 0.1619899 0.1619899), wk = 0.0026178 k( 373) = ( 0.6663382 0.1799888 0.1799888), wk = 0.0026178 k( 374) = ( 0.6829720 0.1979877 0.1979877), wk = 0.0026178 k( 375) = ( 0.6996058 0.2159866 0.2159866), wk = 0.0026178 k( 376) = ( 0.7162396 0.2339855 0.2339855), wk = 0.0026178 k( 377) = ( 0.7328734 0.2519843 0.2519843), wk = 0.0026178 k( 378) = ( 0.7495072 0.2699832 0.2699832), wk = 0.0026178 k( 379) = ( 0.7661411 0.2879821 0.2879821), wk = 0.0026178 k( 380) = ( 0.7827749 0.3059810 0.3059810), wk = 0.0026178 k( 381) = ( 0.7994087 0.3239799 0.3239799), wk = 0.0026178 k( 382) = ( 0.8160425 0.3419787 0.3419787), wk = 0.0026178 Dense grid: 32203 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 24211 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 168, 40) NL pseudopotentials 0.10 Mb ( 84, 76) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 895) G-vector shells 0.01 Mb ( 769) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 168, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNbN2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.1 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.4 secs Computing kpt #: 22 total cpu time spent up to now is 9.8 secs Computing kpt #: 23 total cpu time spent up to now is 10.1 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt 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Computing kpt #: 74 total cpu time spent up to now is 29.9 secs Computing kpt #: 75 total cpu time spent up to now is 30.3 secs Computing kpt #: 76 total cpu time spent up to now is 30.6 secs Computing kpt #: 77 total cpu time spent up to now is 31.0 secs Computing kpt #: 78 total cpu time spent up to now is 31.4 secs Computing kpt #: 79 total cpu time spent up to now is 31.7 secs Computing kpt #: 80 total cpu time spent up to now is 32.1 secs Computing kpt #: 81 total cpu time spent up to now is 32.4 secs Computing kpt #: 82 total cpu time spent up to now is 32.8 secs Computing kpt #: 83 total cpu time spent up to now is 33.1 secs Computing kpt #: 84 total cpu time spent up to now is 33.5 secs Computing kpt #: 85 total cpu time spent up to now is 33.8 secs Computing kpt #: 86 total cpu time spent up to now is 34.2 secs Computing kpt #: 87 total cpu time spent up to now is 34.7 secs Computing kpt #: 88 total cpu time spent up to now is 35.0 secs Computing kpt #: 89 total cpu time spent up to now is 35.4 secs Computing kpt #: 90 total cpu time spent up to now is 35.7 secs Computing kpt #: 91 total cpu time spent up to now is 36.1 secs Computing kpt #: 92 total cpu time spent up to now is 36.4 secs Computing kpt #: 93 total cpu time spent up to now is 36.8 secs Computing kpt #: 94 total cpu time spent up to now is 37.1 secs Computing kpt #: 95 total cpu time spent up to now is 37.5 secs Computing kpt #: 96 total cpu time spent up to now is 37.9 secs Computing kpt #: 97 total cpu time spent up to now is 38.2 secs Computing kpt #: 98 total cpu time spent up to now is 38.6 secs Computing kpt #: 99 total cpu time spent up to now is 39.0 secs Computing kpt #: 100 total cpu time spent up to now is 39.4 secs Computing kpt #: 101 total cpu time spent up to now is 39.8 secs Computing kpt #: 102 total cpu time spent up to now is 40.3 secs Computing kpt #: 103 total cpu time spent up to now is 40.7 secs Computing kpt #: 104 total cpu time spent up to now is 41.0 secs Computing kpt #: 105 total cpu time spent up to now is 41.4 secs Computing kpt #: 106 total cpu time spent up to now is 41.8 secs Computing kpt #: 107 total cpu time spent up to now is 42.1 secs Computing kpt #: 108 total cpu time spent up to now is 42.5 secs Computing kpt #: 109 total cpu time spent up to now is 42.9 secs Computing kpt #: 110 total cpu time spent up to now is 43.3 secs Computing kpt #: 111 total cpu time spent up to now is 43.6 secs Computing kpt #: 112 total cpu time spent up to now is 44.0 secs Computing kpt #: 113 total cpu time spent up to now is 44.5 secs Computing kpt #: 114 total cpu time spent up to now is 44.8 secs Computing kpt #: 115 total cpu time spent up to now is 45.3 secs Computing kpt #: 116 total cpu time spent up to now is 45.7 secs Computing kpt #: 117 total cpu time spent up to now is 46.1 secs Computing kpt #: 118 total cpu time spent up to now is 46.5 secs Computing kpt #: 119 total cpu time spent up to now is 46.8 secs Computing kpt #: 120 total cpu time 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secs Computing kpt #: 136 total cpu time spent up to now is 52.5 secs Computing kpt #: 137 total cpu time spent up to now is 52.8 secs Computing kpt #: 138 total cpu time spent up to now is 53.1 secs Computing kpt #: 139 total cpu time spent up to now is 53.5 secs Computing kpt #: 140 total cpu time spent up to now is 53.8 secs Computing kpt #: 141 total cpu time spent up to now is 54.1 secs Computing kpt #: 142 total cpu time spent up to now is 54.4 secs Computing kpt #: 143 total cpu time spent up to now is 54.7 secs Computing kpt #: 144 total cpu time spent up to now is 55.1 secs Computing kpt #: 145 total cpu time spent up to now is 55.4 secs Computing kpt #: 146 total cpu time spent up to now is 55.7 secs Computing kpt #: 147 total cpu time spent up to now is 56.1 secs Computing kpt #: 148 total cpu time spent up to now is 56.4 secs Computing kpt #: 149 total cpu time spent up to now is 56.7 secs Computing kpt #: 150 total cpu time spent up to now is 57.0 secs Computing kpt #: 151 total cpu time spent up to now is 57.3 secs Computing kpt #: 152 total cpu time spent up to now is 57.6 secs Computing kpt #: 153 total cpu time spent up to now is 57.9 secs Computing kpt #: 154 total cpu time spent up to now is 58.2 secs Computing kpt #: 155 total cpu time spent up to now is 58.5 secs Computing kpt #: 156 total cpu time spent up to now is 58.8 secs Computing kpt #: 157 total cpu time spent up to now is 59.1 secs Computing kpt #: 158 total cpu time spent up to now is 59.5 secs Computing kpt #: 159 total cpu time spent up to now is 59.8 secs Computing kpt #: 160 total cpu time spent up to now is 60.1 secs Computing kpt #: 161 total cpu time spent up to now is 60.4 secs Computing kpt #: 162 total cpu time spent up to now is 60.7 secs Computing kpt #: 163 total cpu time spent up to now is 61.0 secs Computing kpt #: 164 total cpu time spent up to now is 61.3 secs Computing kpt #: 165 total cpu time spent up to now is 61.6 secs Computing kpt #: 166 total cpu time spent up to now is 62.0 secs Computing kpt #: 167 total cpu time spent up to now is 62.3 secs Computing kpt #: 168 total cpu time spent up to now is 62.6 secs Computing kpt #: 169 total cpu time spent up to now is 62.9 secs Computing kpt #: 170 total cpu time spent up to now is 63.2 secs Computing kpt #: 171 total cpu time spent up to now is 63.5 secs Computing kpt #: 172 total cpu time spent up to now is 63.8 secs Computing kpt #: 173 total cpu time spent up to now is 64.1 secs Computing kpt #: 174 total cpu time spent up to now is 64.5 secs Computing kpt #: 175 total cpu time spent up to now is 65.0 secs Computing kpt #: 176 total cpu time spent up to now is 65.3 secs Computing kpt #: 177 total cpu time spent up to now is 65.6 secs Computing kpt #: 178 total cpu time spent up to now is 65.9 secs Computing kpt #: 179 total cpu time spent up to now is 66.2 secs Computing kpt #: 180 total cpu time spent up to now is 66.5 secs Computing kpt #: 181 total cpu time spent up to now is 66.8 secs Computing kpt #: 182 total cpu time spent up to now is 67.1 secs Computing kpt #: 183 total cpu time spent up to now is 67.4 secs Computing kpt #: 184 total cpu time spent up to now is 67.7 secs Computing kpt #: 185 total cpu time spent up to now is 68.0 secs Computing kpt #: 186 total cpu time spent up to now is 68.3 secs Computing kpt #: 187 total cpu time spent up to now is 68.6 secs Computing kpt #: 188 total cpu time spent up to now is 68.9 secs Computing kpt #: 189 total cpu time spent up to now is 69.2 secs Computing kpt #: 190 total cpu time spent up to now is 69.5 secs Computing kpt #: 191 total cpu time spent up to now is 69.8 secs Computing kpt #: 192 total cpu time spent up to now is 70.1 secs Computing kpt #: 193 total cpu time spent up to now is 70.4 secs Computing kpt #: 194 total cpu time spent up to now is 70.7 secs Computing kpt #: 195 total cpu time spent up to now is 71.0 secs Computing kpt #: 196 total cpu time spent up to now is 71.3 secs Computing kpt #: 197 total cpu time spent up to now is 71.6 secs Computing kpt #: 198 total cpu time spent up to now is 71.9 secs Computing kpt #: 199 total cpu time spent up to now is 72.2 secs Computing kpt #: 200 total cpu time spent up to now is 72.5 secs Computing kpt #: 201 total cpu time spent up to now is 72.8 secs Computing kpt #: 202 total cpu time spent up to now is 73.1 secs Computing kpt #: 203 total cpu time spent up to now is 73.5 secs Computing kpt #: 204 total cpu time spent up to now is 73.8 secs Computing kpt #: 205 total cpu time spent up to now is 74.1 secs Computing kpt #: 206 total cpu time spent up to now is 74.4 secs Computing kpt #: 207 total cpu time spent up to now is 74.7 secs Computing kpt #: 208 total cpu time spent up to now is 75.0 secs Computing kpt #: 209 total cpu time spent up to now is 75.3 secs Computing kpt #: 210 total cpu time spent up to now is 75.6 secs Computing kpt #: 211 total cpu time spent up to now is 76.0 secs Computing kpt #: 212 total cpu time spent up to now is 76.3 secs Computing kpt #: 213 total cpu time spent up to now is 76.7 secs Computing kpt #: 214 total cpu time spent up to now is 77.1 secs Computing kpt #: 215 total cpu time spent up to now is 77.5 secs Computing kpt #: 216 total cpu time spent up to now is 77.9 secs Computing kpt #: 217 total cpu time spent up to now is 78.2 secs Computing kpt #: 218 total cpu time spent up to now is 78.6 secs Computing kpt #: 219 total cpu time spent up to now is 78.9 secs Computing kpt #: 220 total cpu time spent up to now is 79.3 secs Computing kpt #: 221 total cpu time spent up to now is 79.6 secs Computing kpt #: 222 total cpu time spent up to now is 80.0 secs Computing kpt #: 223 total cpu time spent up to now is 80.3 secs Computing kpt #: 224 total cpu time spent up to now is 80.7 secs Computing kpt #: 225 total cpu time spent up to now is 81.0 secs Computing kpt #: 226 total cpu time spent up to now is 81.4 secs Computing kpt #: 227 total cpu time spent up to now is 81.7 secs Computing kpt #: 228 total cpu time spent up to now is 82.0 secs Computing kpt #: 229 total cpu time spent up to now is 82.4 secs Computing kpt #: 230 total cpu time spent up to now is 82.7 secs Computing kpt #: 231 total cpu time spent up to now is 83.0 secs Computing kpt #: 232 total cpu time spent up to now is 83.4 secs Computing kpt #: 233 total cpu time spent up to now is 83.7 secs Computing kpt #: 234 total cpu time spent up to now is 84.1 secs Computing kpt #: 235 total cpu time spent up to now is 84.4 secs Computing kpt #: 236 total cpu time spent up to now is 84.7 secs Computing kpt #: 237 total cpu time spent up to now is 85.1 secs Computing kpt #: 238 total cpu time spent up to now is 85.4 secs Computing kpt #: 239 total cpu time spent up to now is 85.8 secs Computing kpt #: 240 total cpu time spent up to now is 86.1 secs Computing kpt #: 241 total cpu time spent up to now is 86.4 secs Computing kpt #: 242 total cpu time spent up to now is 86.8 secs Computing kpt #: 243 total cpu time spent up to now is 87.1 secs Computing kpt #: 244 total cpu time spent up to now is 87.5 secs Computing kpt #: 245 total cpu time spent up to now is 87.8 secs Computing kpt #: 246 total cpu time spent up to now is 88.1 secs Computing kpt #: 247 total cpu time spent up to now is 88.5 secs Computing kpt #: 248 total cpu time spent up to now is 88.8 secs Computing kpt #: 249 total cpu time spent up to now is 89.2 secs Computing kpt #: 250 total cpu time spent up to now is 89.5 secs Computing kpt #: 251 total cpu time spent up to now is 89.9 secs Computing kpt #: 252 total cpu time spent up to now is 90.2 secs Computing kpt #: 253 total cpu time spent up to now is 90.5 secs Computing kpt #: 254 total cpu time spent up to now is 90.9 secs Computing kpt #: 255 total cpu time spent up to now is 91.2 secs Computing kpt #: 256 total cpu time spent up to now is 91.6 secs Computing kpt #: 257 total cpu time spent up to now is 92.0 secs Computing kpt #: 258 total cpu time spent up to now is 92.3 secs Computing kpt #: 259 total cpu time spent up to now is 92.7 secs Computing kpt #: 260 total cpu time spent up to now is 93.0 secs Computing kpt #: 261 total cpu time spent up to now is 93.4 secs Computing kpt #: 262 total cpu time spent up to now is 93.8 secs Computing kpt #: 263 total cpu time spent up to now is 94.1 secs Computing kpt #: 264 total cpu time spent up to now is 94.6 secs Computing kpt #: 265 total cpu time spent up to now is 95.0 secs Computing kpt #: 266 total cpu time spent up to now is 95.5 secs Computing kpt #: 267 total cpu time spent up to now is 95.8 secs Computing kpt #: 268 total cpu time spent up to now is 96.2 secs Computing kpt #: 269 total cpu time spent up to now is 96.6 secs Computing kpt #: 270 total cpu time spent up to now is 96.9 secs Computing kpt #: 271 total cpu time spent up to now is 97.3 secs Computing kpt #: 272 total cpu time spent up to now is 97.6 secs Computing kpt #: 273 total cpu time spent up to now is 98.0 secs Computing kpt #: 274 total cpu time spent up to now is 98.4 secs Computing kpt #: 275 total cpu time spent up to now is 98.7 secs Computing kpt #: 276 total cpu time spent up to now is 99.1 secs Computing kpt #: 277 total cpu time spent up to now is 99.4 secs Computing kpt #: 278 total cpu time spent up to now is 99.9 secs Computing kpt #: 279 total cpu time spent up to now is 100.3 secs Computing kpt #: 280 total cpu time spent up to now is 100.6 secs Computing kpt #: 281 total cpu time spent up to now is 101.0 secs Computing kpt #: 282 total cpu time spent up to now is 101.3 secs Computing kpt #: 283 total cpu time spent up to now is 101.7 secs Computing kpt #: 284 total cpu time spent up to now is 102.1 secs Computing kpt #: 285 total cpu time spent up to now is 102.4 secs Computing kpt #: 286 total cpu time spent up to now is 102.8 secs Computing kpt #: 287 total cpu time spent up to now is 103.2 secs Computing kpt #: 288 total cpu time spent up to now is 103.6 secs Computing kpt #: 289 total cpu time spent up to now is 103.9 secs Computing kpt #: 290 total cpu time spent up to now is 104.4 secs Computing kpt #: 291 total cpu time spent up to now is 104.8 secs Computing kpt #: 292 total cpu time spent up to now is 105.2 secs Computing kpt #: 293 total cpu time spent up to now is 105.7 secs Computing kpt #: 294 total cpu time spent up to now is 106.1 secs Computing kpt #: 295 total cpu time spent up to now is 106.5 secs Computing kpt #: 296 total cpu time spent up to now is 106.9 secs Computing kpt #: 297 total cpu time spent up to now is 107.3 secs Computing kpt #: 298 total cpu time spent up to now is 107.7 secs Computing kpt #: 299 total cpu time spent up to now is 108.2 secs Computing kpt #: 300 total cpu time spent up to now is 108.6 secs Computing kpt #: 301 total cpu time spent up to now is 109.0 secs Computing kpt #: 302 total cpu time spent up to now is 109.5 secs Computing kpt #: 303 total cpu time spent up to now is 109.9 secs Computing kpt #: 304 total cpu time spent up to now is 110.4 secs Computing kpt #: 305 total cpu time spent up to now is 110.9 secs Computing kpt #: 306 total cpu time spent up to now is 111.3 secs Computing kpt #: 307 total cpu time spent up to now is 111.8 secs Computing kpt #: 308 total cpu time spent up to now is 112.3 secs Computing kpt #: 309 total cpu time spent up to now is 112.8 secs Computing kpt #: 310 total cpu time spent up to now is 113.2 secs Computing kpt #: 311 total cpu time spent up to now is 113.6 secs Computing kpt #: 312 total cpu time spent up to now is 114.0 secs Computing kpt #: 313 total cpu time spent up to now is 114.4 secs Computing kpt #: 314 total cpu time spent up to now is 114.7 secs Computing kpt #: 315 total cpu time spent up to now is 115.1 secs Computing kpt #: 316 total cpu time spent up to now is 115.4 secs Computing kpt #: 317 total cpu time spent up to now is 115.8 secs Computing kpt #: 318 total cpu time spent up to now is 116.1 secs Computing kpt #: 319 total cpu time spent up to now is 116.5 secs Computing kpt #: 320 total cpu time spent up to now is 116.8 secs Computing kpt #: 321 total cpu time spent up to now is 117.1 secs Computing kpt #: 322 total cpu time spent up to now is 117.5 secs Computing kpt #: 323 total cpu time spent up to now is 117.8 secs Computing kpt #: 324 total cpu time spent up to now is 118.1 secs Computing kpt #: 325 total cpu time spent up to now is 118.4 secs Computing kpt #: 326 total cpu time spent up to now is 118.8 secs Computing kpt #: 327 total cpu time spent up to now is 119.1 secs Computing kpt #: 328 total cpu time spent up to now is 119.4 secs Computing kpt #: 329 total cpu time spent up to now is 119.7 secs Computing kpt #: 330 total cpu time spent up to now is 120.1 secs Computing kpt #: 331 total cpu time spent up to now is 120.4 secs Computing kpt #: 332 total cpu time spent up to now is 120.7 secs Computing kpt #: 333 total cpu time spent up to now is 121.0 secs Computing kpt #: 334 total cpu time spent up to now is 121.3 secs Computing kpt #: 335 total cpu time spent up to now is 121.7 secs Computing kpt #: 336 total cpu time spent up to now is 122.0 secs Computing kpt #: 337 total cpu time spent up to now is 122.3 secs Computing kpt #: 338 total cpu time spent up to now is 122.6 secs Computing kpt #: 339 total cpu time spent up to now is 122.9 secs Computing kpt #: 340 total cpu time spent up to now is 123.3 secs Computing kpt #: 341 total cpu time spent up to now is 123.6 secs Computing kpt #: 342 total cpu time spent up to now is 123.9 secs Computing kpt #: 343 total cpu time spent up to now is 124.2 secs Computing kpt #: 344 total cpu time spent up to now is 124.5 secs Computing kpt #: 345 total cpu time spent up to now is 124.8 secs Computing kpt #: 346 total cpu time spent up to now is 125.1 secs Computing kpt #: 347 total cpu time spent up to now is 125.5 secs Computing kpt #: 348 total cpu time spent up to now is 125.8 secs Computing kpt #: 349 total cpu time spent up to now is 126.1 secs Computing kpt #: 350 total cpu time spent up to now is 126.4 secs Computing kpt #: 351 total cpu time spent up to now is 126.7 secs Computing kpt #: 352 total cpu time spent up to now is 127.0 secs Computing kpt #: 353 total cpu time spent up to now is 127.4 secs Computing kpt #: 354 total cpu time spent up to now is 127.7 secs Computing kpt #: 355 total cpu time spent up to now is 128.0 secs Computing kpt #: 356 total cpu time spent up to now is 128.3 secs Computing kpt #: 357 total cpu time spent up to now is 128.6 secs Computing kpt #: 358 total cpu time spent up to now is 128.9 secs Computing kpt #: 359 total cpu time spent up to now is 129.2 secs Computing kpt #: 360 total cpu time spent up to now is 129.5 secs Computing kpt #: 361 total cpu time spent up to now is 129.8 secs Computing kpt #: 362 total cpu time spent up to now is 130.2 secs Computing kpt #: 363 total cpu time spent up to now is 130.6 secs Computing kpt #: 364 total cpu time spent up to now is 131.1 secs Computing kpt #: 365 total cpu time spent up to now is 131.6 secs Computing kpt #: 366 total cpu time spent up to now is 132.0 secs Computing kpt #: 367 total cpu time spent up to now is 132.5 secs Computing kpt #: 368 total cpu time spent up to now is 132.9 secs Computing kpt #: 369 total cpu time spent up to now is 133.4 secs Computing kpt #: 370 total cpu time spent up to now is 133.8 secs Computing kpt #: 371 total cpu time spent up to now is 134.3 secs Computing kpt #: 372 total cpu time spent up to now is 135.1 secs Computing kpt #: 373 total cpu time spent up to now is 135.5 secs Computing kpt #: 374 total cpu time spent up to now is 136.0 secs Computing kpt #: 375 total cpu time spent up to now is 136.5 secs Computing kpt #: 376 total cpu time spent up to now is 136.9 secs Computing kpt #: 377 total cpu time spent up to now is 137.4 secs Computing kpt #: 378 total cpu time spent up to now is 137.9 secs Computing kpt #: 379 total cpu time spent up to now is 138.4 secs Computing kpt #: 380 total cpu time spent up to now is 138.9 secs Computing kpt #: 381 total cpu time spent up to now is 139.4 secs Computing kpt #: 382 total cpu time spent up to now is 139.9 secs ethr = 3.13E-08, avg # of iterations = 16.2 total cpu time spent up to now is 139.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2103 -12.2103 -12.0419 -12.0419 -12.0149 -12.0149 -4.0091 -4.0091 -1.7644 -1.7644 5.1168 5.1168 6.1877 6.1877 6.2198 6.2198 9.6509 9.6509 10.4174 10.4174 10.4617 10.4617 11.7163 11.7163 11.7299 11.7299 13.5125 13.5125 15.4114 15.4114 k = 0.0085-0.0142-0.0086 ( 3069 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2405 -22.2405 -20.2220 -20.2220 -19.9675 -19.9675 -12.2103 -12.2103 -12.0419 -12.0419 -12.0150 -12.0150 -4.0079 -4.0079 -1.7652 -1.7652 5.1182 5.1182 6.1879 6.1879 6.2200 6.2200 9.6526 9.6526 10.4106 10.4106 10.4548 10.4548 11.7215 11.7215 11.7349 11.7349 13.5128 13.5128 15.4142 15.4142 k = 0.0169-0.0284-0.0172 ( 3069 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2409 -22.2409 -20.2222 -20.2222 -19.9685 -19.9685 -12.2104 -12.2104 -12.0419 -12.0419 -12.0152 -12.0152 -4.0040 -4.0040 -1.7679 -1.7679 5.1227 5.1227 6.1882 6.1882 6.2209 6.2209 9.6577 9.6577 10.3900 10.3900 10.4353 10.4353 11.7364 11.7364 11.7498 11.7498 13.5139 13.5139 15.4225 15.4225 k = 0.0254-0.0427-0.0259 ( 3065 PWs) bands (ev): -44.8675 -44.8675 -40.1806 -40.1806 -22.2415 -22.2415 -20.2226 -20.2226 -19.9702 -19.9702 -12.2105 -12.2105 -12.0420 -12.0420 -12.0156 -12.0156 -3.9975 -3.9975 -1.7722 -1.7722 5.1300 5.1300 6.1880 6.1880 6.2232 6.2232 9.6661 9.6661 10.3548 10.3548 10.4059 10.4059 11.7590 11.7590 11.7747 11.7747 13.5156 13.5156 15.4363 15.4363 k = 0.0339-0.0569-0.0345 ( 3060 PWs) bands (ev): -44.8671 -44.8671 -40.1805 -40.1805 -22.2424 -22.2424 -20.2231 -20.2231 -19.9727 -19.9727 -12.2107 -12.2107 -12.0421 -12.0421 -12.0160 -12.0160 -3.9884 -3.9884 -1.7783 -1.7783 5.1403 5.1403 6.1866 6.1866 6.2276 6.2276 9.6775 9.6775 10.3050 10.3050 10.3698 10.3698 11.7867 11.7867 11.8094 11.8094 13.5180 13.5180 15.4553 15.4553 k = 0.0424-0.0711-0.0431 ( 3062 PWs) bands (ev): -44.8666 -44.8666 -40.1804 -40.1804 -22.2435 -22.2435 -20.2238 -20.2238 -19.9757 -19.9757 -12.2109 -12.2109 -12.0423 -12.0423 -12.0166 -12.0166 -3.9768 -3.9768 -1.7860 -1.7860 5.1535 5.1535 6.1837 6.1837 6.2344 6.2344 9.6915 9.6915 10.2425 10.2425 10.3283 10.3283 11.8180 11.8180 11.8525 11.8525 13.5211 13.5211 15.4792 15.4792 k = 0.0508-0.0853-0.0517 ( 3060 PWs) bands (ev): -44.8660 -44.8660 -40.1803 -40.1803 -22.2448 -22.2448 -20.2246 -20.2246 -19.9794 -19.9794 -12.2112 -12.2112 -12.0425 -12.0425 -12.0174 -12.0174 -3.9628 -3.9628 -1.7954 -1.7954 5.1694 5.1694 6.1794 6.1794 6.2438 6.2438 9.7075 9.7075 10.1700 10.1700 10.2824 10.2824 11.8517 11.8517 11.9023 11.9023 13.5250 13.5250 15.5077 15.5077 k = 0.0593-0.0995-0.0604 ( 3059 PWs) bands (ev): -44.8653 -44.8653 -40.1802 -40.1802 -22.2464 -22.2464 -20.2256 -20.2256 -19.9838 -19.9838 -12.2116 -12.2116 -12.0427 -12.0427 -12.0182 -12.0182 -3.9462 -3.9462 -1.8064 -1.8064 5.1881 5.1881 6.1740 6.1740 6.2555 6.2555 9.7239 9.7239 10.0906 10.0906 10.2328 10.2328 11.8866 11.8866 11.9574 11.9574 13.5297 13.5297 15.5401 15.5401 k = 0.0678-0.1138-0.0690 ( 3058 PWs) bands (ev): -44.8645 -44.8645 -40.1801 -40.1801 -22.2483 -22.2483 -20.2268 -20.2268 -19.9887 -19.9887 -12.2120 -12.2120 -12.0431 -12.0431 -12.0191 -12.0191 -3.9272 -3.9272 -1.8189 -1.8189 5.2094 5.2094 6.1679 6.1679 6.2693 6.2693 9.7376 9.7376 10.0091 10.0091 10.1805 10.1805 11.9217 11.9217 12.0167 12.0167 13.5352 13.5352 15.5761 15.5761 k = 0.0763-0.1280-0.0776 ( 3054 PWs) bands (ev): -44.8636 -44.8636 -40.1799 -40.1799 -22.2503 -22.2503 -20.2281 -20.2281 -19.9941 -19.9941 -12.2124 -12.2124 -12.0434 -12.0434 -12.0202 -12.0202 -3.9059 -3.9059 -1.8329 -1.8329 5.2333 5.2333 6.1614 6.1614 6.2850 6.2850 9.7387 9.7387 9.9362 9.9362 10.1262 10.1262 11.9562 11.9562 12.0791 12.0791 13.5416 13.5416 15.6148 15.6148 k = 0.0847-0.1422-0.0862 ( 3058 PWs) bands (ev): -44.8627 -44.8627 -40.1797 -40.1797 -22.2527 -22.2527 -20.2297 -20.2297 -20.0001 -20.0001 -12.2130 -12.2130 -12.0438 -12.0438 -12.0213 -12.0213 -3.8823 -3.8823 -1.8482 -1.8482 5.2596 5.2596 6.1548 6.1548 6.3026 6.3026 9.7043 9.7043 9.8955 9.8955 10.0706 10.0706 11.9894 11.9894 12.1439 12.1439 13.5489 13.5489 15.6556 15.6556 k = 0.0932-0.1564-0.0949 ( 3061 PWs) bands (ev): -44.8616 -44.8616 -40.1796 -40.1796 -22.2552 -22.2552 -20.2314 -20.2314 -20.0065 -20.0065 -12.2136 -12.2136 -12.0443 -12.0443 -12.0225 -12.0225 -3.8565 -3.8565 -1.8649 -1.8649 5.2881 5.2881 6.1484 6.1484 6.3218 6.3218 9.6274 9.6274 9.8944 9.8944 10.0145 10.0145 12.0209 12.0209 12.2105 12.2105 13.5571 13.5571 15.6974 15.6974 k = 0.1017-0.1706-0.1035 ( 3047 PWs) bands (ev): -44.8604 -44.8604 -40.1793 -40.1793 -22.2580 -22.2580 -20.2334 -20.2334 -20.0134 -20.0134 -12.2142 -12.2142 -12.0448 -12.0448 -12.0237 -12.0237 -3.8285 -3.8285 -1.8828 -1.8828 5.3187 5.3187 6.1426 6.1426 6.3427 6.3427 9.5289 9.5289 9.9108 9.9108 9.9599 9.9599 12.0505 12.0505 12.2782 12.2782 13.5664 13.5664 15.7390 15.7390 k = 0.1102-0.1849-0.1121 ( 3047 PWs) bands (ev): -44.8591 -44.8591 -40.1791 -40.1791 -22.2610 -22.2610 -20.2356 -20.2356 -20.0206 -20.0206 -12.2150 -12.2150 -12.0455 -12.0455 -12.0249 -12.0249 -3.7985 -3.7985 -1.9019 -1.9019 5.3510 5.3510 6.1377 6.1377 6.3649 6.3649 9.4211 9.4211 9.8961 9.8961 9.9439 9.9439 12.0777 12.0777 12.3465 12.3465 13.5767 13.5767 15.7792 15.7792 k = 0.1186-0.1991-0.1207 ( 3045 PWs) bands (ev): -44.8578 -44.8578 -40.1789 -40.1789 -22.2643 -22.2643 -20.2381 -20.2381 -20.0281 -20.0281 -12.2158 -12.2158 -12.0463 -12.0463 -12.0261 -12.0261 -3.7665 -3.7665 -1.9219 -1.9219 5.3849 5.3849 6.1341 6.1341 6.3885 6.3885 9.3084 9.3084 9.8423 9.8423 9.9704 9.9704 12.1026 12.1026 12.4150 12.4150 13.5880 13.5880 15.8164 15.8164 k = 0.1271-0.2133-0.1294 ( 3039 PWs) bands (ev): -44.8563 -44.8563 -40.1786 -40.1786 -22.2678 -22.2678 -20.2409 -20.2409 -20.0358 -20.0358 -12.2167 -12.2167 -12.0471 -12.0471 -12.0273 -12.0273 -3.7327 -3.7327 -1.9429 -1.9429 5.4199 5.4199 6.1324 6.1324 6.4134 6.4134 9.1926 9.1926 9.7875 9.7875 9.9999 9.9999 12.1251 12.1251 12.4835 12.4835 13.6003 13.6003 15.8488 15.8488 k = 0.1356-0.2275-0.1380 ( 3037 PWs) bands (ev): -44.8548 -44.8548 -40.1784 -40.1784 -22.2715 -22.2715 -20.2439 -20.2439 -20.0437 -20.0437 -12.2176 -12.2176 -12.0481 -12.0481 -12.0285 -12.0285 -3.6972 -3.6972 -1.9647 -1.9647 5.4556 5.4556 6.1329 6.1329 6.4393 6.4393 9.0748 9.0748 9.7337 9.7337 10.0298 10.0298 12.1451 12.1451 12.5514 12.5514 13.6138 13.6138 15.8747 15.8747 k = 0.1441-0.2417-0.1466 ( 3041 PWs) bands (ev): -44.8533 -44.8533 -40.1781 -40.1781 -22.2754 -22.2754 -20.2474 -20.2474 -20.0517 -20.0517 -12.2187 -12.2187 -12.0492 -12.0492 -12.0296 -12.0296 -3.6601 -3.6601 -1.9872 -1.9872 5.4916 5.4916 6.1363 6.1363 6.4661 6.4661 8.9557 8.9557 9.6811 9.6811 10.0591 10.0591 12.1626 12.1626 12.6185 12.6185 13.6283 13.6283 15.8926 15.8926 k = 0.1525-0.2559-0.1552 ( 3038 PWs) bands (ev): -44.8516 -44.8516 -40.1778 -40.1778 -22.2795 -22.2795 -20.2512 -20.2512 -20.0598 -20.0598 -12.2198 -12.2198 -12.0505 -12.0505 -12.0306 -12.0306 -3.6215 -3.6215 -2.0101 -2.0101 5.5271 5.5271 6.1432 6.1432 6.4938 6.4938 8.8358 8.8358 9.6302 9.6302 10.0872 10.0872 12.1777 12.1777 12.6846 12.6846 13.6439 13.6439 15.9019 15.9019 k = 0.1610-0.2702-0.1639 ( 3030 PWs) bands (ev): -44.8499 -44.8499 -40.1775 -40.1775 -22.2838 -22.2838 -20.2554 -20.2554 -20.0677 -20.0677 -12.2210 -12.2210 -12.0519 -12.0519 -12.0315 -12.0315 -3.5817 -3.5817 -2.0335 -2.0335 5.5615 5.5615 6.1543 6.1543 6.5220 6.5220 8.7157 8.7157 9.5812 9.5812 10.1134 10.1134 12.1905 12.1905 12.7494 12.7494 13.6606 13.6606 15.9026 15.9026 k = 0.1695-0.2844-0.1725 ( 3028 PWs) bands (ev): -44.8481 -44.8481 -40.1772 -40.1772 -22.2884 -22.2884 -20.2600 -20.2600 -20.0756 -20.0756 -12.2223 -12.2223 -12.0534 -12.0534 -12.0323 -12.0323 -3.5407 -3.5407 -2.0570 -2.0570 5.5942 5.5942 6.1703 6.1703 6.5508 6.5508 8.5956 8.5956 9.5343 9.5343 10.1372 10.1372 12.2010 12.2010 12.8127 12.8127 13.6783 13.6783 15.8959 15.8959 k = 0.1780-0.2986-0.1811 ( 3030 PWs) bands (ev): -44.8463 -44.8463 -40.1769 -40.1769 -22.2931 -22.2931 -20.2651 -20.2651 -20.0832 -20.0832 -12.2237 -12.2237 -12.0551 -12.0551 -12.0331 -12.0331 -3.4988 -3.4988 -2.0806 -2.0806 5.6244 5.6244 6.1917 6.1917 6.5798 6.5798 8.4761 8.4761 9.4898 9.4898 10.1581 10.1581 12.2094 12.2094 12.8742 12.8742 13.6971 13.6971 15.8834 15.8834 k = 0.1864-0.3128-0.1897 ( 3031 PWs) bands (ev): -44.8445 -44.8445 -40.1766 -40.1766 -22.2980 -22.2980 -20.2707 -20.2707 -20.0906 -20.0906 -12.2252 -12.2252 -12.0568 -12.0568 -12.0337 -12.0337 -3.4562 -3.4562 -2.1041 -2.1041 5.6518 5.6518 6.2191 6.2191 6.6088 6.6088 8.3573 8.3573 9.4477 9.4477 10.1755 10.1755 12.2158 12.2158 12.9338 12.9338 13.7168 13.7168 15.8671 15.8671 k = 0.1949-0.3270-0.1984 ( 3033 PWs) bands (ev): -44.8426 -44.8426 -40.1763 -40.1763 -22.3031 -22.3031 -20.2768 -20.2768 -20.0977 -20.0977 -12.2267 -12.2267 -12.0587 -12.0587 -12.0342 -12.0342 -3.4131 -3.4131 -2.1271 -2.1271 5.6758 5.6758 6.2527 6.2527 6.6378 6.6378 8.2398 8.2398 9.4084 9.4084 10.1892 10.1892 12.2203 12.2203 12.9912 12.9912 13.7374 13.7374 15.8490 15.8490 k = 0.2034-0.3413-0.2070 ( 3029 PWs) bands (ev): -44.8406 -44.8406 -40.1760 -40.1760 -22.3083 -22.3083 -20.2834 -20.2834 -20.1044 -20.1044 -12.2284 -12.2284 -12.0606 -12.0606 -12.0347 -12.0347 -3.3697 -3.3697 -2.1496 -2.1496 5.6964 5.6964 6.2924 6.2924 6.6665 6.6665 8.1238 8.1238 9.3719 9.3719 10.1986 10.1986 12.2231 12.2231 13.0464 13.0464 13.7588 13.7588 15.8307 15.8307 k = 0.2119-0.3555-0.2156 ( 3025 PWs) bands (ev): -44.8386 -44.8386 -40.1756 -40.1756 -22.3137 -22.3137 -20.2905 -20.2905 -20.1107 -20.1107 -12.2300 -12.2300 -12.0626 -12.0626 -12.0350 -12.0350 -3.3265 -3.3265 -2.1712 -2.1712 5.7138 5.7138 6.3379 6.3379 6.6947 6.6947 8.0097 8.0097 9.3385 9.3385 10.2035 10.2035 12.2242 12.2242 13.0992 13.0992 13.7809 13.7809 15.8134 15.8134 k = 0.2203-0.3697-0.2242 ( 3028 PWs) bands (ev): -44.8367 -44.8367 -40.1753 -40.1753 -22.3192 -22.3192 -20.2980 -20.2980 -20.1165 -20.1165 -12.2319 -12.2319 -12.0646 -12.0646 -12.0353 -12.0353 -3.2837 -3.2837 -2.1916 -2.1916 5.7283 5.7283 6.3887 6.3887 6.7221 6.7221 7.8979 7.8979 9.3082 9.3082 10.2036 10.2036 12.2239 12.2239 13.1495 13.1495 13.8036 13.8036 15.7985 15.7985 k = 0.2288-0.3839-0.2329 ( 3029 PWs) bands (ev): -44.8346 -44.8346 -40.1749 -40.1749 -22.3248 -22.3248 -20.3061 -20.3061 -20.1219 -20.1219 -12.2337 -12.2337 -12.0666 -12.0666 -12.0356 -12.0356 -3.2416 -3.2416 -2.2104 -2.2104 5.7401 5.7401 6.4443 6.4443 6.7487 6.7487 7.7889 7.7889 9.2814 9.2814 10.1986 10.1986 12.2223 12.2223 13.1971 13.1971 13.8266 13.8266 15.7867 15.7867 k = 0.2373-0.3981-0.2415 ( 3032 PWs) bands (ev): -44.8326 -44.8326 -40.1746 -40.1746 -22.3306 -22.3306 -20.3145 -20.3145 -20.1268 -20.1268 -12.2357 -12.2357 -12.0687 -12.0687 -12.0358 -12.0358 -3.2008 -3.2008 -2.2274 -2.2274 5.7495 5.7495 6.5039 6.5039 6.7742 6.7742 7.6830 7.6830 9.2579 9.2579 10.1885 10.1885 12.2194 12.2194 13.2419 13.2419 13.8497 13.8497 15.7788 15.7788 k = 0.2458-0.4124-0.2501 ( 3030 PWs) bands (ev): -44.8306 -44.8306 -40.1742 -40.1742 -22.3364 -22.3364 -20.3233 -20.3233 -20.1313 -20.1313 -12.2377 -12.2377 -12.0707 -12.0707 -12.0360 -12.0360 -3.1618 -3.1618 -2.2420 -2.2420 5.7568 5.7568 6.5668 6.5668 6.7985 6.7985 7.5808 7.5808 9.2380 9.2380 10.1731 10.1731 12.2155 12.2155 13.2840 13.2840 13.8726 13.8726 15.7756 15.7756 k = 0.2542-0.4266-0.2587 ( 3027 PWs) bands (ev): -44.8285 -44.8285 -40.1739 -40.1739 -22.3423 -22.3423 -20.3324 -20.3324 -20.1354 -20.1354 -12.2398 -12.2398 -12.0727 -12.0727 -12.0360 -12.0360 -3.1249 -3.1249 -2.2537 -2.2537 5.7620 5.7620 6.6324 6.6324 6.8215 6.8215 7.4829 7.4829 9.2217 9.2217 10.1524 10.1524 12.2106 12.2106 13.3233 13.3233 13.8950 13.8950 15.7774 15.7774 k = 0.2627-0.4408-0.2674 ( 3027 PWs) bands (ev): -44.8265 -44.8265 -40.1735 -40.1735 -22.3483 -22.3483 -20.3417 -20.3417 -20.1390 -20.1390 -12.2419 -12.2419 -12.0746 -12.0746 -12.0361 -12.0361 -3.0910 -3.0910 -2.2621 -2.2621 5.7652 5.7652 6.6998 6.6998 6.8431 6.8431 7.3900 7.3900 9.2091 9.2091 10.1267 10.1267 12.2049 12.2049 13.3597 13.3597 13.9167 13.9167 15.7848 15.7848 k = 0.2712-0.4550-0.2760 ( 3031 PWs) bands (ev): -44.8244 -44.8244 -40.1732 -40.1732 -22.3543 -22.3543 -20.3512 -20.3512 -20.1423 -20.1423 -12.2441 -12.2441 -12.0766 -12.0766 -12.0362 -12.0362 -3.0604 -3.0604 -2.2666 -2.2666 5.7661 5.7661 6.7677 6.7677 6.8635 6.8635 7.3033 7.3033 9.2001 9.2001 10.0959 10.0959 12.1983 12.1983 13.3932 13.3932 13.9371 13.9371 15.7981 15.7981 k = 0.2797-0.4692-0.2846 ( 3027 PWs) bands (ev): -44.8224 -44.8224 -40.1729 -40.1729 -22.3604 -22.3604 -20.3609 -20.3609 -20.1453 -20.1453 -12.2463 -12.2463 -12.0785 -12.0785 -12.0362 -12.0362 -3.0337 -3.0337 -2.2669 -2.2669 5.7645 5.7645 6.8330 6.8330 6.8846 6.8846 7.2243 7.2243 9.1948 9.1948 10.0604 10.0604 12.1910 12.1910 13.4239 13.4239 13.9561 13.9561 15.8176 15.8176 k = 0.2881-0.4835-0.2932 ( 3025 PWs) bands (ev): -44.8204 -44.8204 -40.1725 -40.1725 -22.3664 -22.3664 -20.3706 -20.3706 -20.1479 -20.1479 -12.2485 -12.2485 -12.0803 -12.0803 -12.0361 -12.0361 -3.0114 -3.0114 -2.2624 -2.2624 5.7600 5.7600 6.8809 6.8809 6.9174 6.9174 7.1568 7.1568 9.1930 9.1930 10.0205 10.0205 12.1831 12.1831 13.4517 13.4517 13.9733 13.9733 15.8434 15.8434 k = 0.2966-0.4977-0.3019 ( 3024 PWs) bands (ev): -44.8184 -44.8184 -40.1722 -40.1722 -22.3725 -22.3725 -20.3803 -20.3803 -20.1502 -20.1502 -12.2507 -12.2507 -12.0821 -12.0821 -12.0361 -12.0361 -2.9938 -2.9938 -2.2531 -2.2531 5.7522 5.7522 6.9020 6.9020 6.9591 6.9591 7.1134 7.1134 9.1946 9.1946 9.9766 9.9766 12.1745 12.1745 13.4768 13.4768 13.9885 13.9885 15.8758 15.8758 k = 0.3051-0.5119-0.3105 ( 3019 PWs) bands (ev): -44.8164 -44.8164 -40.1718 -40.1718 -22.3785 -22.3785 -20.3899 -20.3899 -20.1523 -20.1523 -12.2530 -12.2530 -12.0838 -12.0838 -12.0360 -12.0360 -2.9808 -2.9808 -2.2389 -2.2389 5.7404 5.7404 6.9148 6.9148 6.9613 6.9613 7.1244 7.1244 9.1995 9.1995 9.9290 9.9290 12.1653 12.1653 13.4992 13.4992 14.0014 14.0014 15.9147 15.9147 k = 0.3136-0.5261-0.3191 ( 3018 PWs) bands (ev): -44.8145 -44.8145 -40.1715 -40.1715 -22.3845 -22.3845 -20.3995 -20.3995 -20.1542 -20.1542 -12.2553 -12.2553 -12.0855 -12.0855 -12.0359 -12.0359 -2.9723 -2.9723 -2.2202 -2.2202 5.7244 5.7244 6.9180 6.9180 6.9368 6.9368 7.1785 7.1785 9.2075 9.2075 9.8783 9.8783 12.1555 12.1555 13.5190 13.5190 14.0119 14.0119 15.9601 15.9601 k = 0.3220-0.5403-0.3277 ( 3020 PWs) bands (ev): -44.8126 -44.8126 -40.1712 -40.1712 -22.3903 -22.3903 -20.4089 -20.4089 -20.1558 -20.1558 -12.2576 -12.2576 -12.0871 -12.0871 -12.0358 -12.0358 -2.9679 -2.9679 -2.1975 -2.1975 5.7038 5.7038 6.8900 6.8900 6.9380 6.9380 7.2450 7.2450 9.2183 9.2183 9.8250 9.8250 12.1452 12.1452 13.5364 13.5364 14.0199 14.0199 16.0118 16.0118 k = 0.3305-0.5546-0.3364 ( 3020 PWs) bands (ev): -44.8108 -44.8108 -40.1709 -40.1709 -22.3961 -22.3961 -20.4180 -20.4180 -20.1573 -20.1573 -12.2598 -12.2598 -12.0886 -12.0886 -12.0357 -12.0357 -2.9671 -2.9671 -2.1713 -2.1713 5.6785 5.6785 6.8613 6.8613 6.9440 6.9440 7.3143 7.3143 9.2317 9.2317 9.7697 9.7697 12.1342 12.1342 13.5513 13.5513 14.0256 14.0256 16.0696 16.0696 k = 0.3390-0.5688-0.3450 ( 3022 PWs) bands (ev): -44.8090 -44.8090 -40.1706 -40.1706 -22.4018 -22.4018 -20.4270 -20.4270 -20.1585 -20.1585 -12.2620 -12.2620 -12.0901 -12.0901 -12.0355 -12.0355 -2.9693 -2.9693 -2.1422 -2.1422 5.6487 5.6487 6.8402 6.8402 6.9488 6.9488 7.3834 7.3834 9.2473 9.2473 9.7130 9.7130 12.1226 12.1226 13.5641 13.5641 14.0289 14.0289 16.1331 16.1331 k = 0.3475-0.5830-0.3536 ( 3027 PWs) bands (ev): -44.8073 -44.8073 -40.1703 -40.1703 -22.4073 -22.4073 -20.4357 -20.4357 -20.1597 -20.1597 -12.2642 -12.2642 -12.0915 -12.0915 -12.0354 -12.0354 -2.9740 -2.9740 -2.1112 -2.1112 5.6147 5.6147 6.8275 6.8275 6.9524 6.9524 7.4511 7.4511 9.2648 9.2648 9.6558 9.6558 12.1104 12.1104 13.5748 13.5748 14.0301 14.0301 16.2019 16.2019 k = 0.3559-0.5972-0.3622 ( 3031 PWs) bands (ev): -44.8057 -44.8057 -40.1700 -40.1700 -22.4127 -22.4127 -20.4440 -20.4440 -20.1606 -20.1606 -12.2664 -12.2664 -12.0928 -12.0928 -12.0353 -12.0353 -2.9806 -2.9806 -2.0787 -2.0787 5.5773 5.5773 6.8232 6.8232 6.9547 6.9547 7.5162 7.5162 9.2838 9.2838 9.5987 9.5987 12.0977 12.0977 13.5835 13.5835 14.0293 14.0293 16.2756 16.2756 k = 0.3644-0.6114-0.3709 ( 3028 PWs) bands (ev): -44.8041 -44.8041 -40.1698 -40.1698 -22.4179 -22.4179 -20.4521 -20.4521 -20.1615 -20.1615 -12.2685 -12.2685 -12.0941 -12.0941 -12.0351 -12.0351 -2.9885 -2.9885 -2.0453 -2.0453 5.5372 5.5372 6.8268 6.8268 6.9558 6.9558 7.5779 7.5779 9.3037 9.3037 9.5427 9.5427 12.0844 12.0844 13.5905 13.5905 14.0267 14.0267 16.3538 16.3538 k = 0.3729-0.6257-0.3795 ( 3033 PWs) bands (ev): -44.8026 -44.8026 -40.1695 -40.1695 -22.4229 -22.4229 -20.4597 -20.4597 -20.1623 -20.1623 -12.2705 -12.2705 -12.0953 -12.0953 -12.0350 -12.0350 -2.9975 -2.9975 -2.0118 -2.0118 5.4952 5.4952 6.8376 6.8376 6.9560 6.9560 7.6352 7.6352 9.3237 9.3237 9.4891 9.4891 12.0706 12.0706 13.5960 13.5960 14.0227 14.0227 16.4357 16.4357 k = 0.3814-0.6399-0.3881 ( 3032 PWs) bands (ev): -44.8011 -44.8011 -40.1693 -40.1693 -22.4277 -22.4277 -20.4670 -20.4670 -20.1629 -20.1629 -12.2724 -12.2724 -12.0963 -12.0963 -12.0348 -12.0348 -3.0070 -3.0070 -1.9784 -1.9784 5.4524 5.4524 6.8548 6.8548 6.9554 6.9554 7.6873 7.6873 9.3417 9.3417 9.4407 9.4407 12.0564 12.0564 13.6000 13.6000 14.0174 14.0174 16.5209 16.5209 k = 0.3898-0.6541-0.3967 ( 3026 PWs) bands (ev): -44.7998 -44.7998 -40.1690 -40.1690 -22.4322 -22.4322 -20.4738 -20.4738 -20.1635 -20.1635 -12.2742 -12.2742 -12.0973 -12.0973 -12.0346 -12.0346 -3.0168 -3.0168 -1.9457 -1.9457 5.4094 5.4094 6.8777 6.8777 6.9543 6.9543 7.7331 7.7331 9.3477 9.3477 9.4079 9.4079 12.0419 12.0419 13.6028 13.6028 14.0113 14.0113 16.6087 16.6087 k = 0.3983-0.6683-0.4054 ( 3030 PWs) bands (ev): -44.7985 -44.7985 -40.1688 -40.1688 -22.4365 -22.4365 -20.4803 -20.4803 -20.1640 -20.1640 -12.2760 -12.2760 -12.0983 -12.0983 -12.0345 -12.0345 -3.0267 -3.0267 -1.9141 -1.9141 5.3671 5.3671 6.9053 6.9053 6.9528 6.9528 7.7719 7.7719 9.3237 9.3237 9.4092 9.4092 12.0271 12.0271 13.6045 13.6045 14.0044 14.0044 16.6984 16.6984 k = 0.4068-0.6825-0.4140 ( 3032 PWs) bands (ev): -44.7973 -44.7973 -40.1686 -40.1686 -22.4405 -22.4405 -20.4862 -20.4862 -20.1644 -20.1644 -12.2776 -12.2776 -12.0992 -12.0992 -12.0343 -12.0343 -3.0363 -3.0363 -1.8839 -1.8839 5.3261 5.3261 6.9352 6.9352 6.9529 6.9529 7.8026 7.8026 9.2887 9.2887 9.4261 9.4261 12.0123 12.0123 13.6054 13.6054 13.9971 13.9971 16.7894 16.7894 k = 0.4153-0.6967-0.4226 ( 3031 PWs) bands (ev): -44.7962 -44.7962 -40.1684 -40.1684 -22.4443 -22.4443 -20.4917 -20.4917 -20.1648 -20.1648 -12.2791 -12.2791 -12.1000 -12.1000 -12.0342 -12.0342 -3.0456 -3.0456 -1.8553 -1.8553 5.2870 5.2870 6.9454 6.9454 6.9761 6.9761 7.8248 7.8248 9.2561 9.2561 9.4456 9.4456 11.9975 11.9975 13.6055 13.6055 13.9896 13.9896 16.8807 16.8807 k = 0.4237-0.7110-0.4312 ( 3035 PWs) bands (ev): -44.7952 -44.7952 -40.1683 -40.1683 -22.4477 -22.4477 -20.4967 -20.4967 -20.1651 -20.1651 -12.2806 -12.2806 -12.1007 -12.1007 -12.0340 -12.0340 -3.0544 -3.0544 -1.8287 -1.8287 5.2503 5.2503 6.9437 6.9437 7.0140 7.0140 7.8379 7.8379 9.2286 9.2286 9.4650 9.4650 11.9831 11.9831 13.6050 13.6050 13.9822 13.9822 16.9714 16.9714 k = 0.4322-0.7252-0.4399 ( 3036 PWs) bands (ev): -44.7943 -44.7943 -40.1681 -40.1681 -22.4508 -22.4508 -20.5012 -20.5012 -20.1653 -20.1653 -12.2818 -12.2818 -12.1014 -12.1014 -12.0339 -12.0339 -3.0625 -3.0625 -1.8042 -1.8042 5.2164 5.2164 6.9414 6.9414 7.0549 7.0549 7.8420 7.8420 9.2068 9.2068 9.4835 9.4835 11.9692 11.9692 13.6042 13.6042 13.9750 13.9750 17.0606 17.0606 k = 0.4407-0.7394-0.4485 ( 3041 PWs) bands (ev): -44.7935 -44.7935 -40.1680 -40.1680 -22.4536 -22.4536 -20.5052 -20.5052 -20.1656 -20.1656 -12.2830 -12.2830 -12.1019 -12.1019 -12.0338 -12.0338 -3.0699 -3.0699 -1.7822 -1.7822 5.1858 5.1858 6.9389 6.9389 7.0974 7.0974 7.8376 7.8376 9.1905 9.1905 9.5006 9.5006 11.9560 11.9560 13.6031 13.6031 13.9683 13.9683 17.1468 17.1468 k = 0.4492-0.7536-0.4571 ( 3042 PWs) bands (ev): -44.7928 -44.7928 -40.1679 -40.1679 -22.4560 -22.4560 -20.5087 -20.5087 -20.1657 -20.1657 -12.2840 -12.2840 -12.1024 -12.1024 -12.0338 -12.0338 -3.0765 -3.0765 -1.7627 -1.7627 5.1586 5.1586 6.9366 6.9366 7.1407 7.1407 7.8257 7.8257 9.1793 9.1793 9.5160 9.5160 11.9439 11.9439 13.6018 13.6018 13.9621 13.9621 17.2287 17.2287 k = 0.4576-0.7678-0.4657 ( 3038 PWs) bands (ev): -44.7922 -44.7922 -40.1678 -40.1678 -22.4580 -22.4580 -20.5117 -20.5117 -20.1659 -20.1659 -12.2848 -12.2848 -12.1028 -12.1028 -12.0337 -12.0337 -3.0821 -3.0821 -1.7460 -1.7460 5.1352 5.1352 6.9345 6.9345 7.1837 7.1837 7.8077 7.8077 9.1723 9.1723 9.5295 9.5295 11.9331 11.9331 13.6006 13.6006 13.9567 13.9567 17.3044 17.3044 k = 0.4661-0.7821-0.4744 ( 3029 PWs) bands (ev): -44.7917 -44.7917 -40.1677 -40.1677 -22.4597 -22.4597 -20.5141 -20.5141 -20.1660 -20.1660 -12.2854 -12.2854 -12.1031 -12.1031 -12.0335 -12.0335 -3.0868 -3.0868 -1.7321 -1.7321 5.1158 5.1158 6.9327 6.9327 7.2248 7.2248 7.7858 7.7858 9.1684 9.1684 9.5408 9.5408 11.9239 11.9239 13.5994 13.5994 13.9521 13.9521 17.3718 17.3718 k = 0.4746-0.7963-0.4830 ( 3028 PWs) bands (ev): -44.7913 -44.7913 -40.1676 -40.1676 -22.4611 -22.4611 -20.5160 -20.5160 -20.1661 -20.1661 -12.2860 -12.2860 -12.1034 -12.1034 -12.0335 -12.0335 -3.0905 -3.0905 -1.7212 -1.7212 5.1005 5.1005 6.9313 6.9313 7.2621 7.2621 7.7626 7.7626 9.1667 9.1667 9.5498 9.5498 11.9165 11.9165 13.5984 13.5984 13.9484 13.9484 17.4284 17.4284 k = 0.4831-0.8105-0.4916 ( 3022 PWs) bands (ev): -44.7910 -44.7910 -40.1676 -40.1676 -22.4620 -22.4620 -20.5174 -20.5174 -20.1661 -20.1661 -12.2863 -12.2863 -12.1036 -12.1036 -12.0334 -12.0334 -3.0931 -3.0931 -1.7134 -1.7134 5.0895 5.0895 6.9302 6.9302 7.2928 7.2928 7.7414 7.7414 9.1662 9.1662 9.5563 9.5563 11.9110 11.9110 13.5976 13.5976 13.9458 13.9458 17.4716 17.4716 k = 0.4915-0.8247-0.5002 ( 3016 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4626 -22.4626 -20.5182 -20.5182 -20.1662 -20.1662 -12.2865 -12.2865 -12.1036 -12.1036 -12.0333 -12.0333 -3.0948 -3.0948 -1.7086 -1.7086 5.0829 5.0829 6.9295 6.9295 7.3136 7.3136 7.7262 7.7262 9.1661 9.1661 9.5603 9.5603 11.9076 11.9076 13.5972 13.5972 13.9441 13.9441 17.4987 17.4987 k = 0.5000-0.8389-0.5089 ( 3014 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5185 -20.5185 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0953 -3.0953 -1.7070 -1.7070 5.0807 5.0807 6.9293 6.9293 7.3210 7.3210 7.7206 7.7206 9.1662 9.1662 9.5616 9.5616 11.9065 11.9065 13.5970 13.5970 13.9436 13.9436 17.5080 17.5080 k = 0.5000-0.8389-0.5089 ( 3014 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5185 -20.5185 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0953 -3.0953 -1.7070 -1.7070 5.0807 5.0807 6.9293 6.9293 7.3210 7.3210 7.7206 7.7206 9.1662 9.1662 9.5616 9.5616 11.9065 11.9065 13.5970 13.5970 13.9436 13.9436 17.5080 17.5080 k = 0.5000-0.8292-0.5249 ( 3018 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5184 -20.5184 -20.1664 -20.1664 -12.2866 -12.2866 -12.1037 -12.1037 -12.0334 -12.0334 -3.0943 -3.0943 -1.7079 -1.7079 5.0825 5.0825 6.9258 6.9258 7.3217 7.3217 7.7246 7.7246 9.1658 9.1658 9.5565 9.5565 11.9093 11.9093 13.5974 13.5974 13.9429 13.9429 17.5086 17.5086 k = 0.5000-0.8195-0.5409 ( 3020 PWs) bands (ev): -44.7907 -44.7907 -40.1675 -40.1675 -22.4628 -22.4628 -20.5182 -20.5182 -20.1672 -20.1672 -12.2865 -12.2865 -12.1038 -12.1038 -12.0335 -12.0335 -3.0914 -3.0914 -1.7105 -1.7105 5.0878 5.0878 6.9154 6.9154 7.3237 7.3237 7.7362 7.7362 9.1645 9.1645 9.5412 9.5412 11.9177 11.9177 13.5988 13.5988 13.9409 13.9409 17.5105 17.5105 k = 0.5000-0.8098-0.5569 ( 3018 PWs) bands (ev): -44.7906 -44.7906 -40.1675 -40.1675 -22.4628 -22.4628 -20.5179 -20.5179 -20.1685 -20.1685 -12.2864 -12.2864 -12.1040 -12.1040 -12.0336 -12.0336 -3.0865 -3.0865 -1.7147 -1.7147 5.0968 5.0968 6.8989 6.8989 7.3272 7.3272 7.7547 7.7547 9.1624 9.1624 9.5163 9.5163 11.9312 11.9312 13.6011 13.6011 13.9375 13.9375 17.5135 17.5135 k = 0.5000-0.8001-0.5729 ( 3016 PWs) bands (ev): -44.7905 -44.7905 -40.1675 -40.1675 -22.4629 -22.4629 -20.5175 -20.5175 -20.1703 -20.1703 -12.2862 -12.2862 -12.1042 -12.1042 -12.0338 -12.0338 -3.0797 -3.0797 -1.7207 -1.7207 5.1092 5.1092 6.8772 6.8772 7.3321 7.3321 7.7791 7.7791 9.1595 9.1595 9.4822 9.4822 11.9493 11.9493 13.6044 13.6044 13.9330 13.9330 17.5175 17.5175 k = 0.5000-0.7904-0.5889 ( 3028 PWs) bands (ev): -44.7904 -44.7904 -40.1674 -40.1674 -22.4629 -22.4629 -20.5170 -20.5170 -20.1726 -20.1726 -12.2861 -12.2861 -12.1045 -12.1045 -12.0341 -12.0341 -3.0710 -3.0710 -1.7283 -1.7283 5.1251 5.1251 6.8514 6.8514 7.3382 7.3382 7.8082 7.8082 9.1557 9.1557 9.4397 9.4397 11.9713 11.9713 13.6086 13.6086 13.9273 13.9273 17.5225 17.5225 k = 0.5000-0.7807-0.6049 ( 3032 PWs) bands (ev): -44.7902 -44.7902 -40.1674 -40.1674 -22.4630 -22.4630 -20.5164 -20.5164 -20.1754 -20.1754 -12.2858 -12.2858 -12.1049 -12.1049 -12.0344 -12.0344 -3.0604 -3.0604 -1.7375 -1.7375 5.1445 5.1445 6.8225 6.8225 7.3457 7.3457 7.8409 7.8409 9.1509 9.1509 9.3897 9.3897 11.9964 11.9964 13.6137 13.6137 13.9206 13.9206 17.5280 17.5280 k = 0.5000-0.7710-0.6209 ( 3032 PWs) bands (ev): -44.7899 -44.7899 -40.1674 -40.1674 -22.4631 -22.4631 -20.5157 -20.5157 -20.1787 -20.1787 -12.2855 -12.2855 -12.1053 -12.1053 -12.0347 -12.0347 -3.0480 -3.0480 -1.7483 -1.7483 5.1674 5.1674 6.7915 6.7915 7.3544 7.3544 7.8761 7.8761 9.1450 9.1450 9.3336 9.3336 12.0238 12.0238 13.6198 13.6198 13.9132 13.9132 17.5329 17.5329 k = 0.5000-0.7613-0.6370 ( 3034 PWs) bands (ev): -44.7897 -44.7897 -40.1673 -40.1673 -22.4632 -22.4632 -20.5148 -20.5148 -20.1823 -20.1823 -12.2852 -12.2852 -12.1058 -12.1058 -12.0350 -12.0350 -3.0339 -3.0339 -1.7606 -1.7606 5.1936 5.1936 6.7592 6.7592 7.3643 7.3643 7.9128 7.9128 9.1371 9.1371 9.2729 9.2729 12.0526 12.0526 13.6268 13.6268 13.9051 13.9051 17.5316 17.5316 k = 0.5000-0.7515-0.6530 ( 3030 PWs) bands (ev): -44.7894 -44.7894 -40.1673 -40.1673 -22.4633 -22.4633 -20.5139 -20.5139 -20.1863 -20.1863 -12.2848 -12.2848 -12.1063 -12.1063 -12.0354 -12.0354 -3.0180 -3.0180 -1.7745 -1.7745 5.2230 5.2230 6.7261 6.7261 7.3753 7.3753 7.9503 7.9503 9.1241 9.1241 9.2119 9.2119 12.0820 12.0820 13.6348 13.6348 13.8966 13.8966 17.5018 17.5018 k = 0.5000-0.7418-0.6690 ( 3034 PWs) bands (ev): -44.7891 -44.7891 -40.1672 -40.1672 -22.4634 -22.4634 -20.5130 -20.5130 -20.1907 -20.1907 -12.2844 -12.2844 -12.1069 -12.1069 -12.0358 -12.0358 -3.0005 -3.0005 -1.7897 -1.7897 5.2557 5.2557 6.6928 6.6928 7.3873 7.3873 7.9878 7.9878 9.0929 9.0929 9.1647 9.1647 12.1111 12.1111 13.6437 13.6437 13.8880 13.8880 17.4510 17.4510 k = 0.5000-0.7321-0.6850 ( 3034 PWs) bands (ev): -44.7887 -44.7887 -40.1672 -40.1672 -22.4636 -22.4636 -20.5119 -20.5119 -20.1954 -20.1954 -12.2840 -12.2840 -12.1076 -12.1076 -12.0362 -12.0362 -2.9814 -2.9814 -1.8064 -1.8064 5.2914 5.2914 6.6597 6.6597 7.4000 7.4000 8.0248 8.0248 9.0324 9.0324 9.1431 9.1431 12.1392 12.1392 13.6534 13.6534 13.8796 13.8796 17.3965 17.3965 k = 0.5000-0.7224-0.7010 ( 3046 PWs) bands (ev): -44.7884 -44.7884 -40.1671 -40.1671 -22.4637 -22.4637 -20.5108 -20.5108 -20.2004 -20.2004 -12.2836 -12.2836 -12.1084 -12.1084 -12.0366 -12.0366 -2.9609 -2.9609 -1.8243 -1.8243 5.3302 5.3302 6.6272 6.6272 7.4134 7.4134 8.0607 8.0607 8.9586 8.9586 9.1322 9.1322 12.1656 12.1656 13.6639 13.6639 13.8715 13.8715 17.3421 17.3421 k = 0.5000-0.7127-0.7170 ( 3044 PWs) bands (ev): -44.7880 -44.7880 -40.1671 -40.1671 -22.4639 -22.4639 -20.5097 -20.5097 -20.2056 -20.2056 -12.2832 -12.2832 -12.1091 -12.1091 -12.0370 -12.0370 -2.9389 -2.9389 -1.8435 -1.8435 5.3718 5.3718 6.5955 6.5955 7.4273 7.4273 8.0949 8.0949 8.8802 8.8802 9.1243 9.1243 12.1898 12.1898 13.6751 13.6751 13.8642 13.8642 17.2891 17.2891 k = 0.5000-0.7030-0.7330 ( 3044 PWs) bands (ev): -44.7876 -44.7876 -40.1670 -40.1670 -22.4642 -22.4642 -20.5085 -20.5085 -20.2109 -20.2109 -12.2827 -12.2827 -12.1099 -12.1099 -12.0374 -12.0374 -2.9156 -2.9156 -1.8639 -1.8639 5.4162 5.4162 6.5649 6.5649 7.4412 7.4412 8.1271 8.1271 8.7998 8.7998 9.1177 9.1177 12.2111 12.2111 13.6869 13.6869 13.8580 13.8580 17.2383 17.2383 k = 0.5000-0.6933-0.7490 ( 3048 PWs) bands (ev): -44.7872 -44.7872 -40.1669 -40.1669 -22.4644 -22.4644 -20.5073 -20.5073 -20.2164 -20.2164 -12.2822 -12.2822 -12.1108 -12.1108 -12.0378 -12.0378 -2.8910 -2.8910 -1.8853 -1.8853 5.4632 5.4632 6.5354 6.5354 7.4549 7.4549 8.1569 8.1569 8.7189 8.7189 9.1120 9.1120 12.2293 12.2293 13.6992 13.6992 13.8531 13.8531 17.1903 17.1903 k = 0.5000-0.6836-0.7650 ( 3046 PWs) bands (ev): -44.7867 -44.7867 -40.1668 -40.1668 -22.4647 -22.4647 -20.5061 -20.5061 -20.2220 -20.2220 -12.2817 -12.2817 -12.1117 -12.1117 -12.0382 -12.0382 -2.8654 -2.8654 -1.9077 -1.9077 5.5126 5.5126 6.5072 6.5072 7.4679 7.4679 8.1840 8.1840 8.6387 8.6387 9.1070 9.1070 12.2438 12.2438 13.7117 13.7117 13.8497 13.8497 17.1457 17.1457 k = 0.5000-0.6738-0.7810 ( 3044 PWs) bands (ev): -44.7863 -44.7863 -40.1668 -40.1668 -22.4650 -22.4650 -20.5049 -20.5049 -20.2276 -20.2276 -12.2811 -12.2811 -12.1127 -12.1127 -12.0385 -12.0385 -2.8388 -2.8388 -1.9310 -1.9310 5.5643 5.5643 6.4804 6.4804 7.4795 7.4795 8.2080 8.2080 8.5602 8.5602 9.1028 9.1028 12.2546 12.2546 13.7242 13.7242 13.8481 13.8481 17.1048 17.1048 k = 0.5000-0.6641-0.7971 ( 3040 PWs) bands (ev): -44.7858 -44.7858 -40.1667 -40.1667 -22.4653 -22.4653 -20.5037 -20.5037 -20.2332 -20.2332 -12.2806 -12.2806 -12.1136 -12.1136 -12.0389 -12.0389 -2.8112 -2.8112 -1.9551 -1.9551 5.6179 5.6179 6.4551 6.4551 7.4891 7.4891 8.2287 8.2287 8.4848 8.4848 9.0995 9.0995 12.2615 12.2615 13.7367 13.7367 13.8484 13.8484 17.0681 17.0681 k = 0.5000-0.6544-0.8131 ( 3042 PWs) bands (ev): -44.7854 -44.7854 -40.1666 -40.1666 -22.4656 -22.4656 -20.5026 -20.5026 -20.2387 -20.2387 -12.2801 -12.2801 -12.1146 -12.1146 -12.0392 -12.0392 -2.7829 -2.7829 -1.9799 -1.9799 5.6733 5.6733 6.4313 6.4313 7.4955 7.4955 8.2456 8.2456 8.4141 8.4141 9.0972 9.0972 12.2644 12.2644 13.7488 13.7488 13.8505 13.8505 17.0359 17.0359 k = 0.5000-0.6447-0.8291 ( 3034 PWs) bands (ev): -44.7849 -44.7849 -40.1665 -40.1665 -22.4660 -22.4660 -20.5015 -20.5015 -20.2441 -20.2441 -12.2796 -12.2796 -12.1155 -12.1155 -12.0394 -12.0394 -2.7539 -2.7539 -2.0054 -2.0054 5.7302 5.7302 6.4090 6.4090 7.4978 7.4978 8.2577 8.2577 8.3506 8.3506 9.0959 9.0959 12.2635 12.2635 13.7604 13.7604 13.8545 13.8545 17.0086 17.0086 k = 0.5000-0.6350-0.8451 ( 3040 PWs) bands (ev): -44.7845 -44.7845 -40.1665 -40.1665 -22.4664 -22.4664 -20.5005 -20.5005 -20.2493 -20.2493 -12.2792 -12.2792 -12.1165 -12.1165 -12.0397 -12.0397 -2.7244 -2.7244 -2.0313 -2.0313 5.7883 5.7883 6.3883 6.3883 7.4945 7.4945 8.2584 8.2584 8.3023 8.3023 9.0957 9.0957 12.2589 12.2589 13.7715 13.7715 13.8600 13.8600 16.9863 16.9863 k = 0.5000-0.6253-0.8611 ( 3040 PWs) bands (ev): -44.7841 -44.7841 -40.1664 -40.1664 -22.4668 -22.4668 -20.4996 -20.4996 -20.2542 -20.2542 -12.2787 -12.2787 -12.1175 -12.1175 -12.0399 -12.0399 -2.6945 -2.6945 -2.0577 -2.0577 5.8472 5.8472 6.3691 6.3691 7.4844 7.4844 8.2294 8.2294 8.2893 8.2893 9.0966 9.0966 12.2510 12.2510 13.7821 13.7821 13.8667 13.8667 16.9694 16.9694 k = 0.5000-0.6156-0.8771 ( 3044 PWs) bands (ev): -44.7837 -44.7837 -40.1663 -40.1663 -22.4672 -22.4672 -20.4988 -20.4988 -20.2589 -20.2589 -12.2784 -12.2784 -12.1184 -12.1184 -12.0401 -12.0401 -2.6644 -2.6644 -2.0843 -2.0843 5.9064 5.9064 6.3515 6.3515 7.4666 7.4666 8.1939 8.1939 8.2897 8.2897 9.0987 9.0987 12.2400 12.2400 13.7921 13.7921 13.8741 13.8741 16.9579 16.9579 k = 0.5000-0.6059-0.8931 ( 3042 PWs) bands (ev): -44.7833 -44.7833 -40.1663 -40.1663 -22.4676 -22.4676 -20.4981 -20.4981 -20.2632 -20.2632 -12.2780 -12.2780 -12.1193 -12.1193 -12.0403 -12.0403 -2.6341 -2.6341 -2.1112 -2.1112 5.9654 5.9654 6.3355 6.3355 7.4410 7.4410 8.1666 8.1666 8.2893 8.2893 9.1019 9.1019 12.2265 12.2265 13.8015 13.8015 13.8816 13.8816 16.9520 16.9520 k = 0.5000-0.5962-0.9091 ( 3040 PWs) bands (ev): -44.7829 -44.7829 -40.1662 -40.1662 -22.4680 -22.4680 -20.4976 -20.4976 -20.2672 -20.2672 -12.2776 -12.2776 -12.1202 -12.1202 -12.0404 -12.0404 -2.6039 -2.6039 -2.1381 -2.1381 6.0234 6.0234 6.3212 6.3212 7.4082 7.4082 8.1491 8.1491 8.2864 8.2864 9.1063 9.1063 12.2110 12.2110 13.8102 13.8102 13.8890 13.8890 16.9517 16.9517 k = 0.5000-0.5864-0.9251 ( 3044 PWs) bands (ev): -44.7826 -44.7826 -40.1661 -40.1661 -22.4684 -22.4684 -20.4971 -20.4971 -20.2708 -20.2708 -12.2773 -12.2773 -12.1210 -12.1210 -12.0405 -12.0405 -2.5739 -2.5739 -2.1650 -2.1650 6.0796 6.0796 6.3088 6.3088 7.3700 7.3700 8.1406 8.1406 8.2809 8.2809 9.1119 9.1119 12.1939 12.1939 13.8182 13.8182 13.8957 13.8957 16.9569 16.9569 k = 0.5000-0.5767-0.9412 ( 3044 PWs) bands (ev): -44.7822 -44.7822 -40.1661 -40.1661 -22.4688 -22.4688 -20.4968 -20.4968 -20.2739 -20.2739 -12.2771 -12.2771 -12.1217 -12.1217 -12.0406 -12.0406 -2.5443 -2.5443 -2.1917 -2.1917 6.1323 6.1323 6.2989 6.2989 7.3285 7.3285 8.1397 8.1397 8.2728 8.2728 9.1187 9.1187 12.1758 12.1758 13.8253 13.8253 13.9015 13.9015 16.9675 16.9675 k = 0.5000-0.5670-0.9572 ( 3044 PWs) bands (ev): -44.7820 -44.7820 -40.1660 -40.1660 -22.4692 -22.4692 -20.4965 -20.4965 -20.2766 -20.2766 -12.2768 -12.2768 -12.1223 -12.1223 -12.0407 -12.0407 -2.5153 -2.5153 -2.2181 -2.2181 6.1788 6.1788 6.2933 6.2933 7.2863 7.2863 8.1447 8.1447 8.2623 8.2623 9.1267 9.1267 12.1573 12.1573 13.8311 13.8311 13.9062 13.9062 16.9832 16.9832 k = 0.5000-0.5573-0.9732 ( 3050 PWs) bands (ev): -44.7817 -44.7817 -40.1660 -40.1660 -22.4695 -22.4695 -20.4964 -20.4964 -20.2789 -20.2789 -12.2767 -12.2767 -12.1229 -12.1229 -12.0407 -12.0407 -2.4870 -2.4870 -2.2440 -2.2440 6.2128 6.2128 6.2967 6.2967 7.2460 7.2460 8.1540 8.1540 8.2497 8.2497 9.1358 9.1358 12.1389 12.1389 13.8354 13.8354 13.9097 13.9097 17.0037 17.0037 k = 0.5000-0.5476-0.9892 ( 3048 PWs) bands (ev): -44.7815 -44.7815 -40.1660 -40.1660 -22.4698 -22.4698 -20.4963 -20.4963 -20.2807 -20.2807 -12.2765 -12.2765 -12.1233 -12.1233 -12.0408 -12.0408 -2.4600 -2.4600 -2.2692 -2.2692 6.2276 6.2276 6.3143 6.3143 7.2101 7.2101 8.1661 8.1661 8.2351 8.2351 9.1462 9.1462 12.1213 12.1213 13.8380 13.8380 13.9118 13.9118 17.0285 17.0285 k = 0.5000-0.5379-1.0052 ( 3048 PWs) bands (ev): -44.7814 -44.7814 -40.1659 -40.1659 -22.4701 -22.4701 -20.4963 -20.4963 -20.2820 -20.2820 -12.2764 -12.2764 -12.1236 -12.1236 -12.0408 -12.0408 -2.4346 -2.4346 -2.2930 -2.2930 6.2288 6.2288 6.3388 6.3388 7.1811 7.1811 8.1797 8.1797 8.2190 8.2190 9.1579 9.1579 12.1049 12.1049 13.8384 13.8384 13.9126 13.9126 17.0572 17.0572 k = 0.5000-0.5282-1.0212 ( 3046 PWs) bands (ev): -44.7813 -44.7813 -40.1659 -40.1659 -22.4702 -22.4702 -20.4963 -20.4963 -20.2829 -20.2829 -12.2763 -12.2763 -12.1238 -12.1238 -12.0407 -12.0407 -2.4122 -2.4122 -2.3143 -2.3143 6.2248 6.2248 6.3599 6.3599 7.1614 7.1614 8.1910 8.1910 8.2045 8.2045 9.1709 9.1709 12.0903 12.0903 13.8365 13.8365 13.9122 13.9122 17.0889 17.0889 k = 0.5000-0.5185-1.0372 ( 3044 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4703 -22.4703 -20.4964 -20.4964 -20.2833 -20.2833 -12.2763 -12.2763 -12.1239 -12.1239 -12.0407 -12.0407 -2.3968 -2.3968 -2.3292 -2.3292 6.2192 6.2192 6.3730 6.3730 7.1525 7.1525 8.1792 8.1792 8.2117 8.2117 9.1853 9.1853 12.0779 12.0779 13.8320 13.8320 13.9105 13.9105 17.1230 17.1230 k = 0.5000-0.5088-1.0532 ( 3040 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4703 -22.4703 -20.4964 -20.4964 -20.2834 -20.2834 -12.2762 -12.2762 -12.1239 -12.1239 -12.0407 -12.0407 -2.3964 -2.3964 -2.3297 -2.3297 6.2129 6.2129 6.3765 6.3765 7.1549 7.1549 8.1595 8.1595 8.2252 8.2252 9.2011 9.2011 12.0682 12.0682 13.8247 13.8247 13.9077 13.9077 17.1584 17.1584 k = 0.5000-0.4990-1.0692 ( 3050 PWs) bands (ev): -44.7813 -44.7813 -40.1659 -40.1659 -22.4703 -22.4703 -20.4963 -20.4963 -20.2830 -20.2830 -12.2762 -12.2762 -12.1238 -12.1238 -12.0407 -12.0407 -2.4099 -2.4099 -2.3170 -2.3170 6.2063 6.2063 6.3707 6.3707 7.1682 7.1682 8.1385 8.1385 8.2379 8.2379 9.2184 9.2184 12.0616 12.0616 13.8147 13.8147 13.9037 13.9037 17.1939 17.1939 k = 0.5000-0.4893-1.0852 ( 3048 PWs) bands (ev): -44.7814 -44.7814 -40.1659 -40.1659 -22.4700 -22.4700 -20.4962 -20.4962 -20.2822 -20.2822 -12.2762 -12.2762 -12.1235 -12.1235 -12.0406 -12.0406 -2.4282 -2.4282 -2.3002 -2.3002 6.1996 6.1996 6.3573 6.3573 7.1907 7.1907 8.1168 8.1168 8.2490 8.2490 9.2372 9.2372 12.0585 12.0585 13.8019 13.8019 13.8985 13.8985 17.2283 17.2283 k = 0.5000-0.4796-1.1013 ( 3050 PWs) bands (ev): -44.7816 -44.7816 -40.1660 -40.1660 -22.4697 -22.4697 -20.4959 -20.4959 -20.2811 -20.2811 -12.2762 -12.2762 -12.1232 -12.1232 -12.0406 -12.0406 -2.4477 -2.4477 -2.2831 -2.2831 6.1926 6.1926 6.3382 6.3382 7.2204 7.2204 8.0948 8.0948 8.2579 8.2579 9.2576 9.2576 12.0590 12.0590 13.7865 13.7865 13.8921 13.8921 17.2599 17.2599 k = 0.8160-0.3926-0.9342 ( 3050 PWs) bands (ev): -44.7816 -44.7816 -40.1660 -40.1660 -22.4697 -22.4697 -20.4959 -20.4959 -20.2811 -20.2811 -12.2762 -12.2762 -12.1232 -12.1232 -12.0406 -12.0406 -2.4477 -2.4477 -2.2831 -2.2831 6.1926 6.1926 6.3382 6.3382 7.2204 7.2204 8.0948 8.0948 8.2579 8.2579 9.2576 9.2576 12.0590 12.0590 13.7865 13.7865 13.8921 13.8921 17.2599 17.2599 k = 0.8111-0.3843-0.9183 ( 3050 PWs) bands (ev): -44.7818 -44.7818 -40.1660 -40.1660 -22.4692 -22.4692 -20.4955 -20.4955 -20.2796 -20.2796 -12.2762 -12.2762 -12.1227 -12.1227 -12.0405 -12.0405 -2.4668 -2.4668 -2.2671 -2.2671 6.1852 6.1852 6.3158 6.3158 7.2548 7.2548 8.0728 8.0728 8.2645 8.2645 9.2795 9.2795 12.0633 12.0633 13.7686 13.7686 13.8846 13.8846 17.2849 17.2849 k = 0.8062-0.3760-0.9024 ( 3042 PWs) bands (ev): -44.7821 -44.7821 -40.1661 -40.1661 -22.4686 -22.4686 -20.4948 -20.4948 -20.2779 -20.2779 -12.2761 -12.2761 -12.1221 -12.1221 -12.0405 -12.0405 -2.4853 -2.4853 -2.2526 -2.2526 6.1773 6.1773 6.2918 6.2918 7.2924 7.2924 8.0511 8.0511 8.2684 8.2684 9.3029 9.3029 12.0714 12.0714 13.7484 13.7484 13.8761 13.8761 17.2863 17.2863 k = 0.8012-0.3677-0.8865 ( 3038 PWs) bands (ev): -44.7825 -44.7825 -40.1661 -40.1661 -22.4677 -22.4677 -20.4940 -20.4940 -20.2759 -20.2759 -12.2760 -12.2760 -12.1214 -12.1214 -12.0404 -12.0404 -2.5029 -2.5029 -2.2400 -2.2400 6.1686 6.1686 6.2677 6.2677 7.3314 7.3314 8.0298 8.0298 8.2696 8.2696 9.3280 9.3280 12.0835 12.0835 13.7260 13.7260 13.8665 13.8665 17.2628 17.2628 k = 0.7963-0.3594-0.8706 ( 3034 PWs) bands (ev): -44.7829 -44.7829 -40.1662 -40.1662 -22.4667 -22.4667 -20.4929 -20.4929 -20.2736 -20.2736 -12.2759 -12.2759 -12.1205 -12.1205 -12.0404 -12.0404 -2.5195 -2.5195 -2.2294 -2.2294 6.1590 6.1590 6.2448 6.2448 7.3707 7.3707 8.0093 8.0093 8.2680 8.2680 9.3546 9.3546 12.0992 12.0992 13.7015 13.7015 13.8562 13.8562 17.2358 17.2358 k = 0.7914-0.3512-0.8547 ( 3038 PWs) bands (ev): -44.7835 -44.7835 -40.1663 -40.1663 -22.4656 -22.4656 -20.4916 -20.4916 -20.2712 -20.2712 -12.2758 -12.2758 -12.1197 -12.1197 -12.0403 -12.0403 -2.5350 -2.5350 -2.2210 -2.2210 6.1485 6.1485 6.2238 6.2238 7.4091 7.4091 7.9898 7.9898 8.2637 8.2637 9.3827 9.3827 12.1185 12.1185 13.6750 13.6750 13.8453 13.8453 17.2083 17.2083 k = 0.7864-0.3429-0.8388 ( 3030 PWs) bands (ev): -44.7840 -44.7840 -40.1664 -40.1664 -22.4642 -22.4642 -20.4899 -20.4899 -20.2685 -20.2685 -12.2755 -12.2755 -12.1187 -12.1187 -12.0403 -12.0403 -2.5493 -2.5493 -2.2149 -2.2149 6.1372 6.1372 6.2053 6.2053 7.4457 7.4457 7.9715 7.9715 8.2569 8.2569 9.4123 9.4123 12.1410 12.1410 13.6468 13.6468 13.8342 13.8342 17.1808 17.1808 k = 0.7815-0.3346-0.8229 ( 3032 PWs) bands (ev): -44.7847 -44.7847 -40.1665 -40.1665 -22.4626 -22.4626 -20.4880 -20.4880 -20.2657 -20.2657 -12.2753 -12.2753 -12.1176 -12.1176 -12.0403 -12.0403 -2.5624 -2.5624 -2.2111 -2.2111 6.1257 6.1257 6.1890 6.1890 7.4797 7.4797 7.9548 7.9548 8.2478 8.2478 9.4433 9.4433 12.1663 12.1663 13.6169 13.6169 13.8233 13.8233 17.1534 17.1534 k = 0.7765-0.3263-0.8070 ( 3038 PWs) bands (ev): -44.7855 -44.7855 -40.1666 -40.1666 -22.4608 -22.4608 -20.4858 -20.4858 -20.2627 -20.2627 -12.2750 -12.2750 -12.1165 -12.1165 -12.0403 -12.0403 -2.5742 -2.5742 -2.2098 -2.2098 6.1147 6.1147 6.1746 6.1746 7.5103 7.5103 7.9399 7.9399 8.2368 8.2368 9.4756 9.4756 12.1939 12.1939 13.5854 13.5854 13.8128 13.8128 17.1263 17.1263 k = 0.7716-0.3180-0.7911 ( 3038 PWs) bands (ev): -44.7863 -44.7863 -40.1668 -40.1668 -22.4588 -22.4588 -20.4832 -20.4832 -20.2595 -20.2595 -12.2746 -12.2746 -12.1153 -12.1153 -12.0403 -12.0403 -2.5846 -2.5846 -2.2111 -2.2111 6.1047 6.1047 6.1618 6.1618 7.5368 7.5368 7.9269 7.9269 8.2243 8.2243 9.5091 9.5091 12.2232 12.2232 13.5525 13.5525 13.8032 13.8032 17.0996 17.0996 k = 0.7667-0.3097-0.7752 ( 3038 PWs) bands (ev): -44.7872 -44.7872 -40.1669 -40.1669 -22.4565 -22.4565 -20.4803 -20.4803 -20.2562 -20.2562 -12.2741 -12.2741 -12.1140 -12.1140 -12.0403 -12.0403 -2.5938 -2.5938 -2.2149 -2.2149 6.0961 6.0961 6.1504 6.1504 7.5585 7.5585 7.9162 7.9162 8.2109 8.2109 9.5437 9.5437 12.2536 12.2536 13.5184 13.5184 13.7951 13.7951 17.0732 17.0732 k = 0.7617-0.3014-0.7593 ( 3034 PWs) bands (ev): -44.7882 -44.7882 -40.1671 -40.1671 -22.4540 -22.4540 -20.4770 -20.4770 -20.2529 -20.2529 -12.2735 -12.2735 -12.1126 -12.1126 -12.0403 -12.0403 -2.6015 -2.6015 -2.2212 -2.2212 6.0885 6.0885 6.1408 6.1408 7.5748 7.5748 7.9079 7.9079 8.1971 8.1971 9.5790 9.5790 12.2845 12.2845 13.4832 13.4832 13.7887 13.7887 17.0471 17.0471 k = 0.7568-0.2932-0.7434 ( 3034 PWs) bands (ev): -44.7893 -44.7893 -40.1673 -40.1673 -22.4513 -22.4513 -20.4734 -20.4734 -20.2494 -20.2494 -12.2729 -12.2729 -12.1112 -12.1112 -12.0403 -12.0403 -2.6078 -2.6078 -2.2302 -2.2302 6.0809 6.0809 6.1342 6.1342 7.5851 7.5851 7.9022 7.9022 8.1836 8.1836 9.6151 9.6151 12.3151 12.3151 13.4471 13.4471 13.7847 13.7847 17.0210 17.0210 k = 0.7518-0.2849-0.7275 ( 3036 PWs) bands (ev): -44.7904 -44.7904 -40.1675 -40.1675 -22.4483 -22.4483 -20.4694 -20.4694 -20.2458 -20.2458 -12.2722 -12.2722 -12.1097 -12.1097 -12.0403 -12.0403 -2.6127 -2.6127 -2.2418 -2.2418 6.0719 6.0719 6.1322 6.1322 7.5891 7.5891 7.8993 7.8993 8.1706 8.1706 9.6516 9.6516 12.3450 12.3450 13.4101 13.4101 13.7833 13.7833 16.9921 16.9921 k = 0.7469-0.2766-0.7116 ( 3030 PWs) bands (ev): -44.7916 -44.7916 -40.1677 -40.1677 -22.4451 -22.4451 -20.4651 -20.4651 -20.2422 -20.2422 -12.2713 -12.2713 -12.1082 -12.1082 -12.0403 -12.0403 -2.6163 -2.6163 -2.2559 -2.2559 6.0606 6.0606 6.1355 6.1355 7.5864 7.5864 7.8992 7.8992 8.1587 8.1587 9.6884 9.6884 12.3735 12.3735 13.3725 13.3725 13.7849 13.7849 16.9471 16.9471 k = 0.7420-0.2683-0.6957 ( 3026 PWs) bands (ev): -44.7929 -44.7929 -40.1679 -40.1679 -22.4416 -22.4416 -20.4604 -20.4604 -20.2385 -20.2385 -12.2703 -12.2703 -12.1066 -12.1066 -12.0404 -12.0404 -2.6184 -2.6184 -2.2726 -2.2726 6.0470 6.0470 6.1441 6.1441 7.5770 7.5770 7.9022 7.9022 8.1480 8.1480 9.7251 9.7251 12.4001 12.4001 13.3345 13.3345 13.7896 13.7896 16.8824 16.8824 k = 0.7370-0.2600-0.6798 ( 3026 PWs) bands (ev): -44.7943 -44.7943 -40.1681 -40.1681 -22.4379 -22.4379 -20.4553 -20.4553 -20.2347 -20.2347 -12.2693 -12.2693 -12.1050 -12.1050 -12.0404 -12.0404 -2.6191 -2.6191 -2.2918 -2.2918 6.0317 6.0317 6.1576 6.1576 7.5612 7.5612 7.9083 7.9083 8.1384 8.1384 9.7615 9.7615 12.4245 12.4245 13.2963 13.2963 13.7977 13.7977 16.8114 16.8114 k = 0.7321-0.2517-0.6639 ( 3028 PWs) bands (ev): -44.7957 -44.7957 -40.1683 -40.1683 -22.4340 -22.4340 -20.4499 -20.4499 -20.2308 -20.2308 -12.2682 -12.2682 -12.1033 -12.1033 -12.0405 -12.0405 -2.6185 -2.6185 -2.3133 -2.3133 6.0151 6.0151 6.1754 6.1754 7.5394 7.5394 7.9175 7.9175 8.1297 8.1297 9.7973 9.7973 12.4464 12.4464 13.2580 13.2580 13.8089 13.8089 16.7376 16.7376 k = 0.7272-0.2434-0.6480 ( 3028 PWs) bands (ev): -44.7972 -44.7972 -40.1686 -40.1686 -22.4298 -22.4298 -20.4442 -20.4442 -20.2270 -20.2270 -12.2669 -12.2669 -12.1017 -12.1017 -12.0405 -12.0405 -2.6165 -2.6165 -2.3373 -2.3373 5.9976 5.9976 6.1973 6.1973 7.5123 7.5123 7.9299 7.9299 8.1217 8.1217 9.8321 9.8321 12.4657 12.4657 13.2198 13.2198 13.8232 13.8232 16.6621 16.6621 k = 0.7222-0.2352-0.6321 ( 3030 PWs) bands (ev): -44.7988 -44.7988 -40.1689 -40.1689 -22.4255 -22.4255 -20.4382 -20.4382 -20.2230 -20.2230 -12.2656 -12.2656 -12.1000 -12.1000 -12.0406 -12.0406 -2.6132 -2.6132 -2.3634 -2.3634 5.9794 5.9794 6.2228 6.2228 7.4805 7.4805 7.9452 7.9452 8.1141 8.1141 9.8655 9.8655 12.4824 12.4824 13.1820 13.1820 13.8401 13.8401 16.5856 16.5856 k = 0.7173-0.2269-0.6162 ( 3030 PWs) bands (ev): -44.8004 -44.8004 -40.1691 -40.1691 -22.4209 -22.4209 -20.4318 -20.4318 -20.2190 -20.2190 -12.2642 -12.2642 -12.0982 -12.0982 -12.0407 -12.0407 -2.6087 -2.6087 -2.3916 -2.3916 5.9607 5.9607 6.2517 6.2517 7.4447 7.4447 7.9634 7.9634 8.1067 8.1067 9.8972 9.8972 12.4967 12.4967 13.1447 13.1447 13.8592 13.8592 16.5088 16.5088 k = 0.7123-0.2186-0.6003 ( 3032 PWs) bands (ev): -44.8021 -44.8021 -40.1694 -40.1694 -22.4161 -22.4161 -20.4251 -20.4251 -20.2150 -20.2150 -12.2628 -12.2628 -12.0965 -12.0965 -12.0407 -12.0407 -2.6031 -2.6031 -2.4217 -2.4217 5.9417 5.9417 6.2836 6.2836 7.4056 7.4056 7.9839 7.9839 8.1000 8.1000 9.9269 9.9269 12.5087 12.5087 13.1082 13.1082 13.8800 13.8800 16.4321 16.4321 k = 0.7074-0.2103-0.5844 ( 3040 PWs) bands (ev): -44.8038 -44.8038 -40.1697 -40.1697 -22.4112 -22.4112 -20.4182 -20.4182 -20.2109 -20.2109 -12.2612 -12.2612 -12.0948 -12.0948 -12.0407 -12.0407 -2.5967 -2.5967 -2.4533 -2.4533 5.9225 5.9225 6.3182 6.3182 7.3638 7.3638 8.0053 8.0053 8.0949 8.0949 9.9539 9.9539 12.5187 12.5187 13.0727 13.0727 13.9020 13.9020 16.3560 16.3560 k = 0.7025-0.2020-0.5685 ( 3038 PWs) bands (ev): -44.8056 -44.8056 -40.1700 -40.1700 -22.4060 -22.4060 -20.4110 -20.4110 -20.2067 -20.2067 -12.2596 -12.2596 -12.0929 -12.0929 -12.0408 -12.0408 -2.5901 -2.5901 -2.4857 -2.4857 5.9035 5.9035 6.3550 6.3550 7.3199 7.3199 8.0242 8.0242 8.0951 8.0951 9.9781 9.9781 12.5270 12.5270 13.0383 13.0383 13.9244 13.9244 16.2810 16.2810 k = 0.6975-0.1937-0.5526 ( 3034 PWs) bands (ev): -44.8075 -44.8075 -40.1703 -40.1703 -22.4007 -22.4007 -20.4035 -20.4035 -20.2024 -20.2024 -12.2579 -12.2579 -12.0911 -12.0911 -12.0408 -12.0408 -2.5857 -2.5857 -2.5166 -2.5166 5.8848 5.8848 6.3936 6.3936 7.2743 7.2743 8.0342 8.0342 8.1072 8.1072 9.9989 9.9989 12.5338 12.5338 13.0051 13.0051 13.9468 13.9468 16.2077 16.2077 k = 0.6926-0.1854-0.5367 ( 3040 PWs) bands (ev): -44.8094 -44.8094 -40.1707 -40.1707 -22.3953 -22.3953 -20.3958 -20.3958 -20.1981 -20.1981 -12.2561 -12.2561 -12.0893 -12.0893 -12.0408 -12.0408 -2.5919 -2.5919 -2.5372 -2.5372 5.8665 5.8665 6.4333 6.4333 7.2274 7.2274 8.0340 8.0340 8.1326 8.1326 10.0158 10.0158 12.5394 12.5394 12.9734 12.9734 13.9687 13.9687 16.1364 16.1364 k = 0.6877-0.1772-0.5208 ( 3036 PWs) bands (ev): -44.8113 -44.8113 -40.1710 -40.1710 -22.3897 -22.3897 -20.3880 -20.3880 -20.1937 -20.1937 -12.2543 -12.2543 -12.0874 -12.0874 -12.0408 -12.0408 -2.6181 -2.6181 -2.5382 -2.5382 5.8488 5.8488 6.4735 6.4735 7.1797 7.1797 8.0290 8.0290 8.1664 8.1664 10.0287 10.0287 12.5440 12.5440 12.9432 12.9432 13.9895 13.9895 16.0677 16.0677 k = 0.6827-0.1689-0.5049 ( 3030 PWs) bands (ev): -44.8133 -44.8133 -40.1713 -40.1713 -22.3841 -22.3841 -20.3799 -20.3799 -20.1891 -20.1891 -12.2524 -12.2524 -12.0855 -12.0855 -12.0408 -12.0408 -2.6546 -2.6546 -2.5293 -2.5293 5.8319 5.8319 6.5133 6.5133 7.1313 7.1313 8.0231 8.0231 8.2053 8.2053 10.0369 10.0369 12.5476 12.5476 12.9145 12.9145 14.0089 14.0089 16.0021 16.0021 k = 0.6778-0.1606-0.4890 ( 3026 PWs) bands (ev): -44.8153 -44.8153 -40.1717 -40.1717 -22.3783 -22.3783 -20.3718 -20.3718 -20.1845 -20.1845 -12.2505 -12.2505 -12.0836 -12.0836 -12.0407 -12.0407 -2.6948 -2.6948 -2.5168 -2.5168 5.8160 5.8160 6.5518 6.5518 7.0828 7.0828 8.0184 8.0184 8.2481 8.2481 10.0404 10.0404 12.5505 12.5505 12.8873 12.8873 14.0267 14.0267 15.9400 15.9400 k = 0.6728-0.1523-0.4731 ( 3022 PWs) bands (ev): -44.8173 -44.8173 -40.1720 -40.1720 -22.3725 -22.3725 -20.3636 -20.3636 -20.1797 -20.1797 -12.2486 -12.2486 -12.0817 -12.0817 -12.0406 -12.0406 -2.7369 -2.7369 -2.5026 -2.5026 5.8011 5.8011 6.5879 6.5879 7.0343 7.0343 8.0164 8.0164 8.2940 8.2940 10.0386 10.0386 12.5525 12.5525 12.8615 12.8615 14.0426 14.0426 15.8821 15.8821 k = 0.6679-0.1440-0.4572 ( 3018 PWs) bands (ev): -44.8193 -44.8193 -40.1723 -40.1723 -22.3666 -22.3666 -20.3553 -20.3553 -20.1747 -20.1747 -12.2467 -12.2467 -12.0797 -12.0797 -12.0405 -12.0405 -2.7804 -2.7804 -2.4870 -2.4870 5.7876 5.7876 6.6204 6.6204 6.9864 6.9864 8.0183 8.0183 8.3429 8.3429 10.0316 10.0316 12.5538 12.5538 12.8369 12.8369 14.0565 14.0565 15.8289 15.8289 k = 0.6630-0.1357-0.4413 ( 3014 PWs) bands (ev): -44.8214 -44.8214 -40.1727 -40.1727 -22.3607 -22.3607 -20.3470 -20.3470 -20.1695 -20.1695 -12.2448 -12.2448 -12.0778 -12.0778 -12.0404 -12.0404 -2.8249 -2.8249 -2.4705 -2.4705 5.7754 5.7754 6.6479 6.6479 6.9396 6.9396 8.0254 8.0254 8.3944 8.3944 10.0190 10.0190 12.5543 12.5543 12.8133 12.8133 14.0683 14.0683 15.7808 15.7808 k = 0.6580-0.1274-0.4253 ( 3014 PWs) bands (ev): -44.8235 -44.8235 -40.1730 -40.1730 -22.3548 -22.3548 -20.3388 -20.3388 -20.1642 -20.1642 -12.2429 -12.2429 -12.0759 -12.0759 -12.0402 -12.0402 -2.8701 -2.8701 -2.4531 -2.4531 5.7648 5.7648 6.6686 6.6686 6.8947 6.8947 8.0388 8.0388 8.4484 8.4484 10.0009 10.0009 12.5538 12.5538 12.7904 12.7904 14.0781 14.0781 15.7383 15.7383 k = 0.6531-0.1192-0.4094 ( 3014 PWs) bands (ev): -44.8256 -44.8256 -40.1734 -40.1734 -22.3489 -22.3489 -20.3306 -20.3306 -20.1586 -20.1586 -12.2410 -12.2410 -12.0739 -12.0739 -12.0400 -12.0400 -2.9158 -2.9158 -2.4350 -2.4350 5.7558 5.7558 6.6802 6.6802 6.8535 6.8535 8.0595 8.0595 8.5047 8.5047 9.9772 9.9772 12.5523 12.5523 12.7678 12.7678 14.0859 14.0859 15.7020 15.7020 k = 0.6481-0.1109-0.3935 ( 3020 PWs) bands (ev): -44.8277 -44.8277 -40.1738 -40.1738 -22.3430 -22.3430 -20.3226 -20.3226 -20.1527 -20.1527 -12.2392 -12.2392 -12.0721 -12.0721 -12.0398 -12.0398 -2.9620 -2.9620 -2.4163 -2.4163 5.7486 5.7486 6.6797 6.6797 6.8184 6.8184 8.0882 8.0882 8.5633 8.5633 9.9481 9.9481 12.5497 12.5497 12.7452 12.7452 14.0918 14.0918 15.6723 15.6723 k = 0.6432-0.1026-0.3776 ( 3018 PWs) bands (ev): -44.8298 -44.8298 -40.1741 -40.1741 -22.3371 -22.3371 -20.3148 -20.3148 -20.1466 -20.1466 -12.2374 -12.2374 -12.0702 -12.0702 -12.0395 -12.0395 -3.0083 -3.0083 -2.3970 -2.3970 5.7433 5.7433 6.6645 6.6645 6.7920 6.7920 8.1253 8.1253 8.6239 8.6239 9.9136 9.9136 12.5457 12.5457 12.7223 12.7223 14.0960 14.0960 15.6494 15.6494 k = 0.6383-0.0943-0.3617 ( 3012 PWs) bands (ev): -44.8319 -44.8319 -40.1745 -40.1745 -22.3313 -22.3313 -20.3072 -20.3072 -20.1402 -20.1402 -12.2356 -12.2356 -12.0682 -12.0682 -12.0392 -12.0392 -3.0547 -3.0547 -2.3774 -2.3774 5.7400 5.7400 6.6361 6.6361 6.7727 6.7727 8.1709 8.1709 8.6863 8.6863 9.8740 9.8740 12.5403 12.5403 12.6985 12.6985 14.0985 14.0985 15.6338 15.6338 k = 0.6333-0.0860-0.3458 ( 3014 PWs) bands (ev): -44.8340 -44.8340 -40.1748 -40.1748 -22.3256 -22.3256 -20.3000 -20.3000 -20.1335 -20.1335 -12.2339 -12.2339 -12.0664 -12.0664 -12.0388 -12.0388 -3.1010 -3.1010 -2.3574 -2.3574 5.7387 5.7387 6.5996 6.5996 6.7560 6.7560 8.2247 8.2247 8.7505 8.7505 9.8297 9.8297 12.5333 12.5333 12.6737 12.6737 14.0997 14.0997 15.6256 15.6256 k = 0.6284-0.0777-0.3299 ( 3016 PWs) bands (ev): -44.8360 -44.8360 -40.1752 -40.1752 -22.3200 -22.3200 -20.2930 -20.2930 -20.1265 -20.1265 -12.2323 -12.2323 -12.0646 -12.0646 -12.0384 -12.0384 -3.1471 -3.1471 -2.3372 -2.3372 5.7395 5.7395 6.5593 6.5593 6.7384 6.7384 8.2863 8.2863 8.8162 8.8162 9.7808 9.7808 12.5244 12.5244 12.6474 12.6474 14.0995 14.0995 15.6249 15.6249 k = 0.6235-0.0694-0.3140 ( 3020 PWs) bands (ev): -44.8381 -44.8381 -40.1755 -40.1755 -22.3145 -22.3145 -20.2864 -20.2864 -20.1192 -20.1192 -12.2307 -12.2307 -12.0628 -12.0628 -12.0378 -12.0378 -3.1928 -3.1928 -2.3168 -2.3168 5.7426 5.7426 6.5174 6.5174 6.7183 6.7183 8.3549 8.3549 8.8830 8.8830 9.7280 9.7280 12.5137 12.5137 12.6194 12.6194 14.0982 14.0982 15.6318 15.6318 k = 0.6185-0.0612-0.2981 ( 3022 PWs) bands (ev): -44.8401 -44.8401 -40.1759 -40.1759 -22.3091 -22.3091 -20.2801 -20.2801 -20.1117 -20.1117 -12.2292 -12.2292 -12.0612 -12.0612 -12.0372 -12.0372 -3.2379 -3.2379 -2.2963 -2.2963 5.7478 5.7478 6.4750 6.4750 6.6955 6.6955 8.4298 8.4298 8.9508 8.9508 9.6717 9.6717 12.5008 12.5008 12.5897 12.5897 14.0958 14.0958 15.6461 15.6461 k = 0.6136-0.0529-0.2822 ( 3026 PWs) bands (ev): -44.8421 -44.8421 -40.1762 -40.1762 -22.3038 -22.3038 -20.2742 -20.2742 -20.1039 -20.1039 -12.2278 -12.2278 -12.0596 -12.0596 -12.0366 -12.0366 -3.2824 -3.2824 -2.2759 -2.2759 5.7553 5.7553 6.4328 6.4328 6.6704 6.6704 8.5102 8.5102 9.0189 9.0189 9.6128 9.6128 12.4856 12.4856 12.5581 12.5581 14.0926 14.0926 15.6675 15.6675 k = 0.6086-0.0446-0.2663 ( 3024 PWs) bands (ev): -44.8440 -44.8440 -40.1766 -40.1766 -22.2987 -22.2987 -20.2687 -20.2687 -20.0958 -20.0958 -12.2264 -12.2264 -12.0580 -12.0580 -12.0358 -12.0358 -3.3261 -3.3261 -2.2556 -2.2556 5.7651 5.7651 6.3911 6.3911 6.6432 6.6432 8.5955 8.5955 9.0863 9.0863 9.5525 9.5525 12.4680 12.4680 12.5248 12.5248 14.0885 14.0885 15.6960 15.6960 k = 0.6037-0.0363-0.2504 ( 3026 PWs) bands (ev): -44.8459 -44.8459 -40.1769 -40.1769 -22.2938 -22.2938 -20.2636 -20.2636 -20.0876 -20.0876 -12.2251 -12.2251 -12.0566 -12.0566 -12.0349 -12.0349 -3.3689 -3.3689 -2.2356 -2.2356 5.7771 5.7771 6.3501 6.3501 6.6147 6.6147 8.6848 8.6848 9.1506 9.1506 9.4935 9.4935 12.4477 12.4477 12.4899 12.4899 14.0838 14.0838 15.7309 15.7309 k = 0.5988-0.0280-0.2345 ( 3026 PWs) bands (ev): -44.8478 -44.8478 -40.1772 -40.1772 -22.2890 -22.2890 -20.2589 -20.2589 -20.0792 -20.0792 -12.2239 -12.2239 -12.0553 -12.0553 -12.0339 -12.0339 -3.4106 -3.4106 -2.2158 -2.2158 5.7913 5.7913 6.3101 6.3101 6.5853 6.5853 8.7776 8.7776 9.2048 9.2048 9.4429 9.4429 12.4239 12.4239 12.4542 12.4542 14.0785 14.0785 15.7719 15.7719 k = 0.5938-0.0197-0.2186 ( 3026 PWs) bands (ev): -44.8496 -44.8496 -40.1775 -40.1775 -22.2844 -22.2844 -20.2545 -20.2545 -20.0708 -20.0708 -12.2227 -12.2227 -12.0541 -12.0541 -12.0328 -12.0328 -3.4511 -3.4511 -2.1964 -2.1964 5.8078 5.8078 6.2711 6.2711 6.5555 6.5555 8.8731 8.8731 9.2283 9.2283 9.4217 9.4217 12.3955 12.3955 12.4189 12.4189 14.0727 14.0727 15.8183 15.8183 k = 0.5889-0.0114-0.2027 ( 3032 PWs) bands (ev): -44.8513 -44.8513 -40.1778 -40.1778 -22.2800 -22.2800 -20.2505 -20.2505 -20.0623 -20.0623 -12.2217 -12.2217 -12.0530 -12.0530 -12.0317 -12.0317 -3.4903 -3.4903 -2.1774 -2.1774 5.8263 5.8263 6.2333 6.2333 6.5256 6.5256 8.9707 8.9707 9.2015 9.2015 9.4498 9.4498 12.3610 12.3610 12.3856 12.3856 14.0663 14.0663 15.8697 15.8697 k = 0.5839-0.0032-0.1868 ( 3032 PWs) bands (ev): -44.8530 -44.8530 -40.1781 -40.1781 -22.2758 -22.2758 -20.2469 -20.2469 -20.0539 -20.0539 -12.2207 -12.2207 -12.0521 -12.0521 -12.0305 -12.0305 -3.5281 -3.5281 -2.1590 -2.1590 5.8468 5.8468 6.1967 6.1967 6.4962 6.4962 9.0681 9.0681 9.1470 9.1470 9.5066 9.5066 12.3217 12.3217 12.3533 12.3533 14.0596 14.0596 15.9254 15.9254 k = 0.5790 0.0051-0.1709 ( 3028 PWs) bands (ev): -44.8546 -44.8546 -40.1784 -40.1784 -22.2718 -22.2718 -20.2435 -20.2435 -20.0455 -20.0455 -12.2198 -12.2198 -12.0512 -12.0512 -12.0292 -12.0292 -3.5644 -3.5644 -2.1412 -2.1412 5.8692 5.8692 6.1616 6.1616 6.4674 6.4674 9.0738 9.0738 9.1750 9.1750 9.5732 9.5732 12.2798 12.2798 12.3200 12.3200 14.0526 14.0526 15.9846 15.9846 k = 0.5741 0.0134-0.1550 ( 3024 PWs) bands (ev): -44.8561 -44.8561 -40.1786 -40.1786 -22.2681 -22.2681 -20.2405 -20.2405 -20.0373 -20.0373 -12.2190 -12.2190 -12.0504 -12.0504 -12.0278 -12.0278 -3.5990 -3.5990 -2.1241 -2.1241 5.8932 5.8932 6.1279 6.1279 6.4395 6.4395 9.0044 9.0044 9.2751 9.2751 9.6431 9.6431 12.2364 12.2364 12.2849 12.2849 14.0453 14.0453 16.0467 16.0467 k = 0.5691 0.0217-0.1391 ( 3028 PWs) bands (ev): -44.8575 -44.8575 -40.1789 -40.1789 -22.2645 -22.2645 -20.2378 -20.2378 -20.0293 -20.0293 -12.2182 -12.2182 -12.0497 -12.0497 -12.0265 -12.0265 -3.6320 -3.6320 -2.1078 -2.1078 5.9188 5.9188 6.0959 6.0959 6.4128 6.4128 8.9323 8.9323 9.3765 9.3765 9.7141 9.7141 12.1921 12.1921 12.2476 12.2476 14.0379 14.0379 16.1109 16.1109 k = 0.5642 0.0300-0.1232 ( 3026 PWs) bands (ev): -44.8589 -44.8589 -40.1791 -40.1791 -22.2612 -22.2612 -20.2353 -20.2353 -20.0216 -20.0216 -12.2175 -12.2175 -12.0491 -12.0491 -12.0252 -12.0252 -3.6630 -3.6630 -2.0923 -2.0923 5.9455 5.9455 6.0656 6.0656 6.3875 6.3875 8.8600 8.8600 9.4779 9.4779 9.7850 9.7850 12.1473 12.1473 12.2082 12.2082 14.0303 14.0303 16.1763 16.1763 k = 0.5593 0.0383-0.1073 ( 3024 PWs) bands (ev): -44.8602 -44.8602 -40.1793 -40.1793 -22.2581 -22.2581 -20.2330 -20.2330 -20.0143 -20.0143 -12.2169 -12.2169 -12.0486 -12.0486 -12.0238 -12.0238 -3.6922 -3.6922 -2.0777 -2.0777 5.9731 5.9731 6.0373 6.0373 6.3637 6.3637 8.7885 8.7885 9.5784 9.5784 9.8551 9.8551 12.1024 12.1024 12.1667 12.1667 14.0227 14.0227 16.2420 16.2420 k = 0.5543 0.0466-0.0914 ( 3024 PWs) bands (ev): -44.8613 -44.8613 -40.1795 -40.1795 -22.2553 -22.2553 -20.2310 -20.2310 -20.0073 -20.0073 -12.2163 -12.2163 -12.0482 -12.0482 -12.0226 -12.0226 -3.7194 -3.7194 -2.0640 -2.0640 5.9987 5.9987 6.0134 6.0134 6.3415 6.3415 8.7187 8.7187 9.6774 9.6774 9.9237 9.9237 12.0578 12.0578 12.1235 12.1235 14.0152 14.0152 16.3072 16.3072 k = 0.5494 0.0548-0.0755 ( 3024 PWs) bands (ev): -44.8624 -44.8624 -40.1797 -40.1797 -22.2527 -22.2527 -20.2292 -20.2292 -20.0007 -20.0007 -12.2158 -12.2158 -12.0478 -12.0478 -12.0213 -12.0213 -3.7445 -3.7445 -2.0513 -2.0513 5.9843 5.9843 6.0317 6.0317 6.3210 6.3210 8.6513 8.6513 9.7742 9.7742 9.9904 9.9904 12.0138 12.0138 12.0787 12.0787 14.0079 14.0079 16.3707 16.3707 k = 0.5444 0.0631-0.0596 ( 3020 PWs) bands (ev): -44.8634 -44.8634 -40.1799 -40.1799 -22.2503 -22.2503 -20.2277 -20.2277 -19.9946 -19.9946 -12.2154 -12.2154 -12.0474 -12.0474 -12.0202 -12.0202 -3.7674 -3.7674 -2.0397 -2.0397 5.9621 5.9621 6.0597 6.0597 6.3024 6.3024 8.5870 8.5870 9.8681 9.8681 10.0545 10.0545 11.9708 11.9708 12.0329 12.0329 14.0008 14.0008 16.4317 16.4317 k = 0.5395 0.0714-0.0437 ( 3012 PWs) bands (ev): -44.8643 -44.8643 -40.1800 -40.1800 -22.2482 -22.2482 -20.2263 -20.2263 -19.9891 -19.9891 -12.2150 -12.2150 -12.0471 -12.0471 -12.0191 -12.0191 -3.7881 -3.7881 -2.0292 -2.0292 5.9417 5.9417 6.0873 6.0873 6.2857 6.2857 8.5266 8.5266 9.9580 9.9580 10.1155 10.1155 11.9294 11.9294 11.9867 11.9867 13.9942 13.9942 16.4889 16.4889 k = 0.5346 0.0797-0.0278 ( 3008 PWs) bands (ev): -44.8651 -44.8651 -40.1802 -40.1802 -22.2463 -22.2463 -20.2251 -20.2251 -19.9840 -19.9840 -12.2146 -12.2146 -12.0468 -12.0468 -12.0181 -12.0181 -3.8065 -3.8065 -2.0198 -2.0198 5.9234 5.9234 6.1137 6.1137 6.2710 6.2710 8.4707 8.4707 10.0430 10.0430 10.1727 10.1727 11.8901 11.8901 11.9408 11.9408 13.9880 13.9880 16.5414 16.5414 k = 0.5296 0.0880-0.0119 ( 3010 PWs) bands (ev): -44.8658 -44.8658 -40.1803 -40.1803 -22.2447 -22.2447 -20.2240 -20.2240 -19.9796 -19.9796 -12.2143 -12.2143 -12.0466 -12.0466 -12.0172 -12.0172 -3.8225 -3.8225 -2.0116 -2.0116 5.9075 5.9075 6.1381 6.1381 6.2585 6.2585 8.4202 8.4202 10.1215 10.1215 10.2254 10.2254 11.8535 11.8535 11.8962 11.8962 13.9824 13.9824 16.5882 16.5882 k = 0.5247 0.0963 0.0040 ( 3010 PWs) bands (ev): -44.8664 -44.8664 -40.1804 -40.1804 -22.2433 -22.2433 -20.2232 -20.2232 -19.9759 -19.9759 -12.2141 -12.2141 -12.0464 -12.0464 -12.0165 -12.0165 -3.8362 -3.8362 -2.0046 -2.0046 5.8938 5.8938 6.1598 6.1598 6.2482 6.2482 8.3758 8.3758 10.1920 10.1920 10.2730 10.2730 11.8203 11.8203 11.8543 11.8543 13.9774 13.9774 16.6285 16.6285 k = 0.5198 0.1046 0.0199 ( 3010 PWs) bands (ev): -44.8669 -44.8669 -40.1805 -40.1805 -22.2421 -22.2421 -20.2225 -20.2225 -19.9727 -19.9727 -12.2139 -12.2139 -12.0463 -12.0463 -12.0159 -12.0159 -3.8474 -3.8474 -1.9989 -1.9989 5.8826 5.8826 6.1778 6.1778 6.2405 6.2405 8.3382 8.3382 10.2524 10.2524 10.3150 10.3150 11.7912 11.7912 11.8166 11.8166 13.9733 13.9733 16.6618 16.6618 k = 0.5148 0.1128 0.0358 ( 3012 PWs) bands (ev): -44.8673 -44.8673 -40.1805 -40.1805 -22.2413 -22.2413 -20.2220 -20.2220 -19.9703 -19.9703 -12.2138 -12.2138 -12.0462 -12.0462 -12.0154 -12.0154 -3.8562 -3.8562 -1.9944 -1.9944 5.8738 5.8738 6.1913 6.1913 6.2359 6.2359 8.3082 8.3082 10.3004 10.3004 10.3508 10.3508 11.7668 11.7668 11.7851 11.7851 13.9699 13.9699 16.6876 16.6876 k = 0.5099 0.1211 0.0517 ( 3010 PWs) bands (ev): -44.8676 -44.8676 -40.1806 -40.1806 -22.2406 -22.2406 -20.2216 -20.2216 -19.9685 -19.9685 -12.2137 -12.2137 -12.0461 -12.0461 -12.0150 -12.0150 -3.8625 -3.8625 -1.9912 -1.9912 5.8675 5.8675 6.1993 6.1993 6.2345 6.2345 8.2862 8.2862 10.3345 10.3345 10.3793 10.3793 11.7476 11.7476 11.7619 11.7619 13.9675 13.9675 16.7060 16.7060 k = 0.5049 0.1294 0.0676 ( 3012 PWs) bands (ev): -44.8677 -44.8677 -40.1806 -40.1806 -22.2403 -22.2403 -20.2214 -20.2214 -19.9675 -19.9675 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8663 -3.8663 -1.9892 -1.9892 5.8637 5.8637 6.2027 6.2027 6.2353 6.2353 8.2729 8.2729 10.3543 10.3543 10.3981 10.3981 11.7347 11.7347 11.7482 11.7482 13.9661 13.9661 16.7170 16.7170 k = 0.5000 0.1377 0.0835 ( 3010 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8675 -3.8675 -1.9886 -1.9886 5.8625 5.8625 6.2035 6.2035 6.2359 6.2359 8.2684 8.2684 10.3608 10.3608 10.4047 10.4047 11.7301 11.7301 11.7438 11.7438 13.9656 13.9656 16.7207 16.7207 k = 0.5000 0.1377 0.0835 ( 3010 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8675 -3.8675 -1.9886 -1.9886 5.8625 5.8625 6.2035 6.2035 6.2359 6.2359 8.2684 8.2684 10.3608 10.3608 10.4047 10.4047 11.7301 11.7301 11.7438 11.7438 13.9656 13.9656 16.7207 16.7207 k = 0.4821 0.1328 0.0805 ( 3013 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8680 -3.8680 -1.9878 -1.9878 5.8592 5.8592 6.2034 6.2034 6.2359 6.2359 8.2732 8.2732 10.3610 10.3610 10.4049 10.4049 11.7300 11.7300 11.7437 11.7437 13.9650 13.9650 16.7129 16.7129 k = 0.4643 0.1279 0.0776 ( 3013 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8695 -3.8695 -1.9856 -1.9856 5.8495 5.8495 6.2033 6.2033 6.2357 6.2357 8.2876 8.2876 10.3615 10.3615 10.4054 10.4054 11.7299 11.7299 11.7436 11.7436 13.9631 13.9631 16.6899 16.6899 k = 0.4464 0.1229 0.0746 ( 3013 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2135 -12.2135 -12.0459 -12.0459 -12.0148 -12.0148 -3.8719 -3.8719 -1.9820 -1.9820 5.8337 5.8337 6.2030 6.2030 6.2355 6.2355 8.3111 8.3111 10.3624 10.3624 10.4063 10.4063 11.7297 11.7297 11.7434 11.7434 13.9600 13.9600 16.6532 16.6532 k = 0.4286 0.1180 0.0716 ( 3031 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8752 -3.8752 -1.9770 -1.9770 5.8122 5.8122 6.2027 6.2027 6.2351 6.2351 8.3433 8.3433 10.3636 10.3636 10.4075 10.4075 11.7294 11.7294 11.7431 11.7431 13.9556 13.9556 16.6046 16.6046 k = 0.4107 0.1131 0.0686 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2402 -22.2402 -20.2214 -20.2214 -19.9671 -19.9671 -12.2135 -12.2135 -12.0459 -12.0459 -12.0148 -12.0148 -3.8794 -3.8794 -1.9706 -1.9706 5.7857 5.7857 6.2023 6.2023 6.2347 6.2347 8.3835 8.3835 10.3651 10.3651 10.4090 10.4090 11.7291 11.7291 11.7428 11.7428 13.9498 13.9498 16.5464 16.5464 k = 0.3929 0.1082 0.0656 ( 3037 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2402 -22.2402 -20.2214 -20.2214 -19.9671 -19.9671 -12.2134 -12.2134 -12.0457 -12.0457 -12.0148 -12.0148 -3.8843 -3.8843 -1.9631 -1.9631 5.7550 5.7550 6.2017 6.2017 6.2341 6.2341 8.4310 8.4310 10.3669 10.3669 10.4109 10.4109 11.7287 11.7287 11.7423 11.7423 13.9425 13.9425 16.4808 16.4808 k = 0.3750 0.1033 0.0626 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2214 -20.2214 -19.9671 -19.9671 -12.2132 -12.2132 -12.0456 -12.0456 -12.0148 -12.0148 -3.8900 -3.8900 -1.9544 -1.9544 5.7206 5.7206 6.2012 6.2012 6.2335 6.2335 8.4849 8.4849 10.3690 10.3690 10.4130 10.4130 11.7282 11.7282 11.7418 11.7418 13.9337 13.9337 16.4097 16.4097 k = 0.3571 0.0984 0.0597 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2214 -20.2214 -19.9671 -19.9671 -12.2131 -12.2131 -12.0454 -12.0454 -12.0148 -12.0148 -3.8963 -3.8963 -1.9448 -1.9448 5.6834 5.6834 6.2005 6.2005 6.2328 6.2328 8.5442 8.5442 10.3714 10.3714 10.4154 10.4154 11.7276 11.7276 11.7412 11.7412 13.9231 13.9231 16.3351 16.3351 k = 0.3393 0.0934 0.0567 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2215 -20.2215 -19.9671 -19.9671 -12.2129 -12.2129 -12.0452 -12.0452 -12.0148 -12.0148 -3.9031 -3.9031 -1.9343 -1.9343 5.6440 5.6440 6.1998 6.1998 6.2321 6.2321 8.6083 8.6083 10.3739 10.3739 10.4179 10.4179 11.7270 11.7270 11.7406 11.7406 13.9108 13.9108 16.2585 16.2585 k = 0.3214 0.0885 0.0537 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2215 -20.2215 -19.9671 -19.9671 -12.2127 -12.2127 -12.0450 -12.0450 -12.0148 -12.0148 -3.9103 -3.9103 -1.9230 -1.9230 5.6033 5.6033 6.1990 6.1990 6.2313 6.2313 8.6762 8.6762 10.3767 10.3767 10.4207 10.4207 11.7264 11.7264 11.7399 11.7399 13.8965 13.8965 16.1812 16.1812 k = 0.3036 0.0836 0.0507 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2215 -20.2215 -19.9671 -19.9671 -12.2125 -12.2125 -12.0447 -12.0447 -12.0148 -12.0148 -3.9179 -3.9179 -1.9113 -1.9113 5.5617 5.5617 6.1982 6.1982 6.2305 6.2305 8.7470 8.7470 10.3796 10.3796 10.4237 10.4237 11.7257 11.7257 11.7392 11.7392 13.8802 13.8802 16.1044 16.1044 k = 0.2857 0.0787 0.0477 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2402 -22.2402 -20.2215 -20.2215 -19.9671 -19.9671 -12.2123 -12.2123 -12.0445 -12.0445 -12.0148 -12.0148 -3.9257 -3.9257 -1.8991 -1.8991 5.5198 5.5198 6.1973 6.1973 6.2296 6.2296 8.8200 8.8200 10.3827 10.3827 10.4267 10.4267 11.7250 11.7250 11.7385 11.7385 13.8618 13.8618 16.0292 16.0292 k = 0.2679 0.0738 0.0447 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2403 -22.2403 -20.2216 -20.2216 -19.9671 -19.9671 -12.2121 -12.2121 -12.0442 -12.0442 -12.0148 -12.0148 -3.9336 -3.9336 -1.8866 -1.8866 5.4783 5.4783 6.1965 6.1965 6.2287 6.2287 8.8944 8.8944 10.3858 10.3858 10.4299 10.4299 11.7242 11.7242 11.7377 11.7377 13.8413 13.8413 15.9564 15.9564 k = 0.2500 0.0688 0.0418 ( 3034 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2403 -22.2403 -20.2216 -20.2216 -19.9671 -19.9671 -12.2119 -12.2119 -12.0440 -12.0440 -12.0148 -12.0148 -3.9416 -3.9416 -1.8741 -1.8741 5.4375 5.4375 6.1956 6.1956 6.2278 6.2278 8.9694 8.9694 10.3889 10.3889 10.4331 10.4331 11.7235 11.7235 11.7370 11.7370 13.8187 13.8187 15.8868 15.8868 k = 0.2321 0.0639 0.0388 ( 3046 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2403 -22.2403 -20.2216 -20.2216 -19.9671 -19.9671 -12.2118 -12.2118 -12.0438 -12.0438 -12.0148 -12.0148 -3.9494 -3.9494 -1.8616 -1.8616 5.3979 5.3979 6.1947 6.1947 6.2269 6.2269 9.0442 9.0442 10.3921 10.3921 10.4363 10.4363 11.7227 11.7227 11.7362 11.7362 13.7942 13.7942 15.8210 15.8210 k = 0.2143 0.0590 0.0358 ( 3058 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2403 -22.2403 -20.2217 -20.2217 -19.9671 -19.9671 -12.2116 -12.2116 -12.0436 -12.0436 -12.0149 -12.0149 -3.9571 -3.9571 -1.8493 -1.8493 5.3599 5.3599 6.1938 6.1938 6.2260 6.2260 9.1180 9.1180 10.3952 10.3952 10.4394 10.4394 11.7219 11.7219 11.7354 11.7354 13.7679 13.7679 15.7595 15.7595 k = 0.1964 0.0541 0.0328 ( 3058 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2403 -22.2403 -20.2217 -20.2217 -19.9671 -19.9671 -12.2114 -12.2114 -12.0434 -12.0434 -12.0149 -12.0149 -3.9645 -3.9645 -1.8374 -1.8374 5.3238 5.3238 6.1930 6.1930 6.2251 6.2251 9.1901 9.1901 10.3983 10.3983 10.4425 10.4425 11.7212 11.7212 11.7347 11.7347 13.7402 13.7402 15.7026 15.7026 k = 0.1786 0.0492 0.0298 ( 3052 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2403 -22.2403 -20.2217 -20.2217 -19.9671 -19.9671 -12.2112 -12.2112 -12.0431 -12.0431 -12.0149 -12.0149 -3.9716 -3.9716 -1.8260 -1.8260 5.2899 5.2899 6.1922 6.1922 6.2243 6.2243 9.2597 9.2597 10.4012 10.4012 10.4455 10.4455 11.7205 11.7205 11.7339 11.7339 13.7115 13.7115 15.6507 15.6507 k = 0.1607 0.0443 0.0268 ( 3061 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2404 -22.2404 -20.2218 -20.2218 -19.9671 -19.9671 -12.2111 -12.2111 -12.0429 -12.0429 -12.0149 -12.0149 -3.9782 -3.9782 -1.8152 -1.8152 5.2585 5.2585 6.1914 6.1914 6.2235 6.2235 9.3260 9.3260 10.4040 10.4040 10.4483 10.4483 11.7198 11.7198 11.7332 11.7332 13.6823 13.6823 15.6040 15.6040 k = 0.1429 0.0393 0.0239 ( 3061 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2404 -22.2404 -20.2218 -20.2218 -19.9671 -19.9671 -12.2109 -12.2109 -12.0427 -12.0427 -12.0149 -12.0149 -3.9844 -3.9844 -1.8052 -1.8052 5.2298 5.2298 6.1907 6.1907 6.2228 6.2228 9.3882 9.3882 10.4066 10.4066 10.4509 10.4509 11.7191 11.7191 11.7326 11.7326 13.6532 13.6532 15.5625 15.5625 k = 0.1250 0.0344 0.0209 ( 3061 PWs) bands (ev): -44.8679 -44.8679 -40.1807 -40.1807 -22.2404 -22.2404 -20.2218 -20.2218 -19.9671 -19.9671 -12.2108 -12.2108 -12.0425 -12.0425 -12.0149 -12.0149 -3.9899 -3.9899 -1.7961 -1.7961 5.2040 5.2040 6.1900 6.1900 6.2221 6.2221 9.4455 9.4455 10.4090 10.4090 10.4533 10.4533 11.7185 11.7185 11.7320 11.7320 13.6250 13.6250 15.5263 15.5263 k = 0.1071 0.0295 0.0179 ( 3073 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2107 -12.2107 -12.0424 -12.0424 -12.0150 -12.0150 -3.9949 -3.9949 -1.7880 -1.7880 5.1813 5.1813 6.1895 6.1895 6.2215 6.2215 9.4972 9.4972 10.4111 10.4111 10.4554 10.4554 11.7180 11.7180 11.7315 11.7315 13.5983 13.5983 15.4952 15.4952 k = 0.0893 0.0246 0.0149 ( 3066 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2105 -12.2105 -12.0422 -12.0422 -12.0149 -12.0149 -3.9991 -3.9991 -1.7809 -1.7809 5.1618 5.1618 6.1889 6.1889 6.2210 6.2210 9.5424 9.5424 10.4130 10.4130 10.4573 10.4573 11.7175 11.7175 11.7310 11.7310 13.5741 13.5741 15.4692 15.4692 k = 0.0714 0.0197 0.0119 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2105 -12.2105 -12.0421 -12.0421 -12.0149 -12.0149 -4.0027 -4.0027 -1.7751 -1.7751 5.1457 5.1457 6.1885 6.1885 6.2206 6.2206 9.5805 9.5805 10.4145 10.4145 10.4588 10.4588 11.7171 11.7171 11.7306 11.7306 13.5530 13.5530 15.4482 15.4482 k = 0.0536 0.0148 0.0089 ( 3072 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2104 -12.2104 -12.0420 -12.0420 -12.0150 -12.0150 -4.0055 -4.0055 -1.7704 -1.7704 5.1331 5.1331 6.1882 6.1882 6.2203 6.2203 9.6109 9.6109 10.4157 10.4157 10.4601 10.4601 11.7168 11.7168 11.7303 11.7303 13.5358 13.5358 15.4320 15.4320 k = 0.0357 0.0098 0.0060 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2103 -12.2103 -12.0419 -12.0419 -12.0149 -12.0149 -4.0075 -4.0075 -1.7671 -1.7671 5.1241 5.1241 6.1879 6.1879 6.2200 6.2200 9.6330 9.6330 10.4166 10.4166 10.4610 10.4610 11.7165 11.7165 11.7301 11.7301 13.5230 13.5230 15.4205 15.4205 k = 0.0179 0.0049 0.0030 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2103 -12.2103 -12.0419 -12.0419 -12.0149 -12.0149 -4.0087 -4.0087 -1.7650 -1.7650 5.1186 5.1186 6.1878 6.1878 6.2199 6.2199 9.6464 9.6464 10.4172 10.4172 10.4615 10.4615 11.7164 11.7164 11.7300 11.7300 13.5152 13.5152 15.4137 15.4137 k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2103 -12.2103 -12.0419 -12.0419 -12.0149 -12.0149 -4.0091 -4.0091 -1.7644 -1.7644 5.1168 5.1168 6.1877 6.1877 6.2198 6.2198 9.6509 9.6509 10.4174 10.4174 10.4617 10.4617 11.7163 11.7163 11.7299 11.7299 13.5125 13.5125 15.4114 15.4114 k = 0.0000 0.0000 0.0000 ( 3069 PWs) bands (ev): -44.8680 -44.8680 -40.1807 -40.1807 -22.2404 -22.2404 -20.2219 -20.2219 -19.9671 -19.9671 -12.2103 -12.2103 -12.0419 -12.0419 -12.0149 -12.0149 -4.0091 -4.0091 -1.7644 -1.7644 5.1168 5.1168 6.1877 6.1877 6.2198 6.2198 9.6509 9.6509 10.4174 10.4174 10.4617 10.4617 11.7163 11.7163 11.7299 11.7299 13.5125 13.5125 15.4114 15.4114 k = 0.0050-0.0083-0.0160 ( 3069 PWs) bands (ev): -44.8679 -44.8679 -40.1806 -40.1806 -22.2405 -22.2405 -20.2220 -20.2220 -19.9675 -19.9675 -12.2103 -12.2103 -12.0419 -12.0419 -12.0150 -12.0150 -4.0078 -4.0078 -1.7652 -1.7652 5.1182 5.1182 6.1879 6.1879 6.2200 6.2200 9.6528 9.6528 10.4105 10.4105 10.4546 10.4546 11.7217 11.7217 11.7350 11.7350 13.5128 13.5128 15.4142 15.4142 k = 0.0099-0.0166-0.0319 ( 3069 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2409 -22.2409 -20.2222 -20.2222 -19.9686 -19.9686 -12.2104 -12.2104 -12.0419 -12.0419 -12.0152 -12.0152 -4.0039 -4.0039 -1.7679 -1.7679 5.1226 5.1226 6.1882 6.1882 6.2210 6.2210 9.6583 9.6583 10.3893 10.3893 10.4346 10.4346 11.7371 11.7371 11.7502 11.7502 13.5136 13.5136 15.4226 15.4226 k = 0.0149-0.0249-0.0479 ( 3065 PWs) bands (ev): -44.8675 -44.8675 -40.1806 -40.1806 -22.2415 -22.2415 -20.2226 -20.2226 -19.9703 -19.9703 -12.2105 -12.2105 -12.0420 -12.0420 -12.0156 -12.0156 -3.9973 -3.9973 -1.7723 -1.7723 5.1300 5.1300 6.1880 6.1880 6.2233 6.2233 9.6675 9.6675 10.3533 10.3533 10.4047 10.4047 11.7609 11.7609 11.7749 11.7749 13.5150 13.5150 15.4365 15.4365 k = 0.0198-0.0333-0.0638 ( 3063 PWs) bands (ev): -44.8671 -44.8671 -40.1805 -40.1805 -22.2424 -22.2424 -20.2231 -20.2231 -19.9728 -19.9728 -12.2107 -12.2107 -12.0421 -12.0421 -12.0160 -12.0160 -3.9881 -3.9881 -1.7784 -1.7784 5.1402 5.1402 6.1864 6.1864 6.2279 6.2279 9.6798 9.6798 10.3025 10.3025 10.3676 10.3676 11.7917 11.7917 11.8080 11.8080 13.5170 13.5170 15.4557 15.4557 k = 0.0248-0.0416-0.0798 ( 3061 PWs) bands (ev): -44.8666 -44.8666 -40.1804 -40.1804 -22.2436 -22.2436 -20.2238 -20.2238 -19.9759 -19.9759 -12.2109 -12.2109 -12.0423 -12.0423 -12.0167 -12.0167 -3.9763 -3.9763 -1.7862 -1.7862 5.1534 5.1534 6.1833 6.1833 6.2350 6.2350 9.6950 9.6950 10.2389 10.2389 10.3250 10.3250 11.8283 11.8283 11.8475 11.8475 13.5195 13.5195 15.4800 15.4800 k = 0.0297-0.0499-0.0958 ( 3057 PWs) bands (ev): -44.8660 -44.8660 -40.1803 -40.1803 -22.2449 -22.2449 -20.2247 -20.2247 -19.9798 -19.9798 -12.2112 -12.2112 -12.0425 -12.0425 -12.0174 -12.0174 -3.9619 -3.9619 -1.7956 -1.7956 5.1694 5.1694 6.1787 6.1787 6.2447 6.2447 9.7123 9.7123 10.1650 10.1650 10.2781 10.2781 11.8697 11.8697 11.8914 11.8914 13.5227 13.5227 15.5090 15.5090 k = 0.0347-0.0582-0.1117 ( 3059 PWs) bands (ev): -44.8653 -44.8653 -40.1802 -40.1802 -22.2466 -22.2466 -20.2257 -20.2257 -19.9842 -19.9842 -12.2116 -12.2116 -12.0428 -12.0428 -12.0183 -12.0183 -3.9451 -3.9451 -1.8067 -1.8067 5.1882 5.1882 6.1729 6.1729 6.2568 6.2568 9.7306 9.7306 10.0829 10.0829 10.2281 10.2281 11.9150 11.9150 11.9381 11.9381 13.5265 13.5265 15.5424 15.5424 k = 0.0396-0.0665-0.1277 ( 3053 PWs) bands (ev): -44.8644 -44.8644 -40.1800 -40.1800 -22.2485 -22.2485 -20.2269 -20.2269 -19.9892 -19.9892 -12.2120 -12.2120 -12.0430 -12.0430 -12.0192 -12.0192 -3.9257 -3.9257 -1.8194 -1.8194 5.2098 5.2098 6.1662 6.1662 6.2711 6.2711 9.7485 9.7485 9.9944 9.9944 10.1772 10.1772 11.9635 11.9635 11.9863 11.9863 13.5310 13.5310 15.5798 15.5798 k = 0.0446-0.0748-0.1436 ( 3051 PWs) bands (ev): -44.8635 -44.8635 -40.1799 -40.1799 -22.2506 -22.2506 -20.2283 -20.2283 -19.9948 -19.9948 -12.2125 -12.2125 -12.0434 -12.0434 -12.0203 -12.0203 -3.9040 -3.9040 -1.8335 -1.8335 5.2342 5.2342 6.1589 6.1589 6.2874 6.2874 9.7631 9.7631 9.9010 9.9010 10.1282 10.1282 12.0143 12.0143 12.0351 12.0351 13.5362 13.5362 15.6207 15.6207 k = 0.0496-0.0832-0.1596 ( 3049 PWs) bands (ev): -44.8625 -44.8625 -40.1797 -40.1797 -22.2530 -22.2530 -20.2298 -20.2298 -20.0009 -20.0009 -12.2130 -12.2130 -12.0438 -12.0438 -12.0214 -12.0214 -3.8799 -3.8799 -1.8491 -1.8491 5.2612 5.2612 6.1512 6.1512 6.3056 6.3056 9.7679 9.7679 9.8061 9.8061 10.0857 10.0857 12.0668 12.0668 12.0837 12.0837 13.5421 13.5421 15.6646 15.6646 k = 0.0545-0.0915-0.1756 ( 3047 PWs) bands (ev): -44.8614 -44.8614 -40.1795 -40.1795 -22.2556 -22.2556 -20.2316 -20.2316 -20.0075 -20.0075 -12.2136 -12.2136 -12.0443 -12.0443 -12.0226 -12.0226 -3.8536 -3.8536 -1.8660 -1.8660 5.2908 5.2908 6.1433 6.1433 6.3256 6.3256 9.6995 9.6995 9.7679 9.7679 10.0559 10.0559 12.1203 12.1203 12.1318 12.1318 13.5489 13.5489 15.7109 15.7109 k = 0.0595-0.0998-0.1915 ( 3049 PWs) bands (ev): -44.8602 -44.8602 -40.1793 -40.1793 -22.2585 -22.2585 -20.2336 -20.2336 -20.0146 -20.0146 -12.2143 -12.2143 -12.0449 -12.0449 -12.0239 -12.0239 -3.8250 -3.8250 -1.8843 -1.8843 5.3230 5.3230 6.1354 6.1354 6.3472 6.3472 9.5973 9.5973 9.7425 9.7425 10.0440 10.0440 12.1726 12.1726 12.1807 12.1807 13.5566 13.5566 15.7591 15.7591 k = 0.0644-0.1081-0.2075 ( 3047 PWs) bands (ev): -44.8589 -44.8589 -40.1791 -40.1791 -22.2616 -22.2616 -20.2359 -20.2359 -20.0220 -20.0220 -12.2151 -12.2151 -12.0455 -12.0455 -12.0252 -12.0252 -3.7943 -3.7943 -1.9038 -1.9038 5.3577 5.3577 6.1277 6.1277 6.3703 6.3703 9.4928 9.4928 9.7005 9.7005 10.0488 10.0488 12.2199 12.2199 12.2335 12.2335 13.5651 13.5651 15.8085 15.8085 k = 0.0694-0.1164-0.2234 ( 3043 PWs) bands (ev): -44.8575 -44.8575 -40.1788 -40.1788 -22.2649 -22.2649 -20.2384 -20.2384 -20.0297 -20.0297 -12.2159 -12.2159 -12.0462 -12.0462 -12.0265 -12.0265 -3.7616 -3.7616 -1.9243 -1.9243 5.3948 5.3948 6.1204 6.1204 6.3947 6.3947 9.3871 9.3871 9.6463 9.6463 10.0650 10.0650 12.2635 12.2635 12.2886 12.2886 13.5748 13.5748 15.8586 15.8586 k = 0.0743-0.1247-0.2394 ( 3039 PWs) bands (ev): -44.8560 -44.8560 -40.1786 -40.1786 -22.2684 -22.2684 -20.2411 -20.2411 -20.0377 -20.0377 -12.2168 -12.2168 -12.0471 -12.0471 -12.0277 -12.0277 -3.7269 -3.7269 -1.9459 -1.9459 5.4342 5.4342 6.1135 6.1135 6.4203 6.4203 9.2808 9.2808 9.5848 9.5848 10.0876 10.0876 12.3046 12.3046 12.3441 12.3441 13.5855 13.5855 15.9086 15.9086 k = 0.0793-0.1331-0.2554 ( 3043 PWs) bands (ev): -44.8545 -44.8545 -40.1783 -40.1783 -22.2722 -22.2722 -20.2442 -20.2442 -20.0460 -20.0460 -12.2178 -12.2178 -12.0481 -12.0481 -12.0290 -12.0290 -3.6904 -3.6904 -1.9685 -1.9685 5.4758 5.4758 6.1073 6.1073 6.4469 6.4469 9.1746 9.1746 9.5191 9.5191 10.1132 10.1132 12.3435 12.3435 12.3996 12.3996 13.5973 13.5973 15.9579 15.9579 k = 0.0843-0.1414-0.2713 ( 3039 PWs) bands (ev): -44.8529 -44.8529 -40.1781 -40.1781 -22.2762 -22.2762 -20.2475 -20.2475 -20.0544 -20.0544 -12.2188 -12.2188 -12.0492 -12.0492 -12.0301 -12.0301 -3.6521 -3.6521 -1.9918 -1.9918 5.5196 5.5196 6.1018 6.1018 6.4743 6.4743 9.0690 9.0690 9.4511 9.4511 10.1399 10.1399 12.3801 12.3801 12.4548 12.4548 13.6104 13.6104 16.0056 16.0056 k = 0.0892-0.1497-0.2873 ( 3037 PWs) bands (ev): -44.8512 -44.8512 -40.1778 -40.1778 -22.2804 -22.2804 -20.2512 -20.2512 -20.0628 -20.0628 -12.2200 -12.2200 -12.0504 -12.0504 -12.0312 -12.0312 -3.6121 -3.6121 -2.0159 -2.0159 5.5655 5.5655 6.0972 6.0972 6.5022 6.5022 8.9643 8.9643 9.3819 9.3819 10.1661 10.1661 12.4142 12.4142 12.5095 12.5095 13.6248 13.6248 16.0512 16.0512 k = 0.0942-0.1580-0.3032 ( 3041 PWs) bands (ev): -44.8495 -44.8495 -40.1775 -40.1775 -22.2848 -22.2848 -20.2552 -20.2552 -20.0713 -20.0713 -12.2212 -12.2212 -12.0518 -12.0518 -12.0323 -12.0323 -3.5707 -3.5707 -2.0407 -2.0407 5.6132 5.6132 6.0934 6.0934 6.5303 6.5303 8.8612 8.8612 9.3122 9.3122 10.1909 10.1909 12.4459 12.4459 12.5638 12.5638 13.6405 13.6405 16.0939 16.0939 k = 0.0991-0.1663-0.3192 ( 3039 PWs) bands (ev): -44.8477 -44.8477 -40.1772 -40.1772 -22.2895 -22.2895 -20.2595 -20.2595 -20.0798 -20.0798 -12.2225 -12.2225 -12.0532 -12.0532 -12.0332 -12.0332 -3.5278 -3.5278 -2.0659 -2.0659 5.6628 5.6628 6.0907 6.0907 6.5582 6.5582 8.7602 8.7602 9.2427 9.2427 10.2137 10.2137 12.4751 12.4751 12.6173 12.6173 13.6575 13.6575 16.1328 16.1328 k = 0.1041-0.1746-0.3352 ( 3033 PWs) bands (ev): -44.8458 -44.8458 -40.1768 -40.1768 -22.2942 -22.2942 -20.2643 -20.2643 -20.0882 -20.0882 -12.2239 -12.2239 -12.0548 -12.0548 -12.0341 -12.0341 -3.4836 -3.4836 -2.0916 -2.0916 5.7142 5.7142 6.0889 6.0889 6.5856 6.5856 8.6618 8.6618 9.1735 9.1735 10.2338 10.2338 12.5018 12.5018 12.6701 12.6701 13.6758 13.6758 16.1674 16.1674 k = 0.1090-0.1830-0.3511 ( 3033 PWs) bands (ev): -44.8439 -44.8439 -40.1765 -40.1765 -22.2992 -22.2992 -20.2694 -20.2694 -20.0965 -20.0965 -12.2253 -12.2253 -12.0565 -12.0565 -12.0348 -12.0348 -3.4383 -3.4383 -2.1176 -2.1176 5.7672 5.7672 6.0883 6.0883 6.6119 6.6119 8.5666 8.5666 9.1052 9.1052 10.2508 10.2508 12.5260 12.5260 12.7221 12.7221 13.6954 13.6954 16.1971 16.1971 k = 0.1140-0.1913-0.3671 ( 3035 PWs) bands (ev): -44.8420 -44.8420 -40.1762 -40.1762 -22.3043 -22.3043 -20.2749 -20.2749 -20.1045 -20.1045 -12.2269 -12.2269 -12.0583 -12.0583 -12.0355 -12.0355 -3.3919 -3.3919 -2.1437 -2.1437 5.8216 5.8216 6.0887 6.0887 6.6367 6.6367 8.4752 8.4752 9.0379 9.0379 10.2642 10.2642 12.5477 12.5477 12.7731 12.7731 13.7160 13.7160 16.2212 16.2212 k = 0.1189-0.1996-0.3830 ( 3033 PWs) bands (ev): -44.8400 -44.8400 -40.1758 -40.1758 -22.3096 -22.3096 -20.2808 -20.2808 -20.1124 -20.1124 -12.2285 -12.2285 -12.0602 -12.0602 -12.0361 -12.0361 -3.3447 -3.3447 -2.1700 -2.1700 5.8774 5.8774 6.0903 6.0903 6.6594 6.6594 8.3883 8.3883 8.9720 8.9720 10.2739 10.2739 12.5671 12.5671 12.8232 12.8232 13.7377 13.7377 16.2396 16.2396 k = 0.1239-0.2079-0.3990 ( 3036 PWs) bands (ev): -44.8380 -44.8380 -40.1755 -40.1755 -22.3150 -22.3150 -20.2871 -20.2871 -20.1199 -20.1199 -12.2302 -12.2302 -12.0621 -12.0621 -12.0367 -12.0367 -3.2966 -3.2966 -2.1962 -2.1962 5.9343 5.9343 6.0930 6.0930 6.6792 6.6792 8.3066 8.3066 8.9075 8.9075 10.2795 10.2795 12.5841 12.5841 12.8723 12.8723 13.7600 13.7600 16.2522 16.2522 k = 0.1289-0.2162-0.4150 ( 3034 PWs) bands (ev): -44.8359 -44.8359 -40.1752 -40.1752 -22.3206 -22.3206 -20.2938 -20.2938 -20.1272 -20.1272 -12.2319 -12.2319 -12.0641 -12.0641 -12.0372 -12.0372 -3.2479 -3.2479 -2.2224 -2.2224 5.9921 5.9921 6.0969 6.0969 6.6955 6.6955 8.2309 8.2309 8.8448 8.8448 10.2810 10.2810 12.5990 12.5990 12.9204 12.9204 13.7829 13.7829 16.2591 16.2591 k = 0.1338-0.2245-0.4309 ( 3040 PWs) bands (ev): -44.8339 -44.8339 -40.1748 -40.1748 -22.3262 -22.3262 -20.3008 -20.3008 -20.1342 -20.1342 -12.2337 -12.2337 -12.0661 -12.0661 -12.0376 -12.0376 -3.1988 -3.1988 -2.2482 -2.2482 6.0501 6.0501 6.1024 6.1024 6.7076 6.7076 8.1620 8.1620 8.7839 8.7839 10.2782 10.2782 12.6119 12.6119 12.9675 12.9675 13.8060 13.8060 16.2606 16.2606 k = 0.1388-0.2328-0.4469 ( 3040 PWs) bands (ev): -44.8318 -44.8318 -40.1745 -40.1745 -22.3320 -22.3320 -20.3081 -20.3081 -20.1409 -20.1409 -12.2356 -12.2356 -12.0681 -12.0681 -12.0380 -12.0380 -3.1493 -3.1493 -2.2738 -2.2738 6.0987 6.0987 6.1189 6.1189 6.7149 6.7149 8.1005 8.1005 8.7250 8.7250 10.2711 10.2711 12.6229 12.6229 13.0135 13.0135 13.8289 13.8289 16.2575 16.2575 k = 0.1437-0.2412-0.4628 ( 3036 PWs) bands (ev): -44.8297 -44.8297 -40.1741 -40.1741 -22.3378 -22.3378 -20.3157 -20.3157 -20.1473 -20.1473 -12.2374 -12.2374 -12.0701 -12.0701 -12.0384 -12.0384 -3.0996 -3.0996 -2.2989 -2.2989 6.1110 6.1110 6.1727 6.1727 6.7170 6.7170 8.0471 8.0471 8.6683 8.6683 10.2597 10.2597 12.6323 12.6323 13.0584 13.0584 13.8511 13.8511 16.2505 16.2505 k = 0.1487-0.2495-0.4788 ( 3040 PWs) bands (ev): -44.8276 -44.8276 -40.1737 -40.1737 -22.3437 -22.3437 -20.3235 -20.3235 -20.1534 -20.1534 -12.2394 -12.2394 -12.0722 -12.0722 -12.0387 -12.0387 -3.0499 -3.0499 -2.3235 -2.3235 6.1191 6.1191 6.2313 6.2313 6.7139 6.7139 8.0021 8.0021 8.6139 8.6139 10.2442 10.2442 12.6403 12.6403 13.1023 13.1023 13.8723 13.8723 16.2404 16.2404 k = 0.1536-0.2578-0.4948 ( 3036 PWs) bands (ev): -44.8254 -44.8254 -40.1734 -40.1734 -22.3496 -22.3496 -20.3316 -20.3316 -20.1593 -20.1593 -12.2413 -12.2413 -12.0742 -12.0742 -12.0390 -12.0390 -3.0003 -3.0003 -2.3474 -2.3474 6.1275 6.1275 6.2889 6.2889 6.7063 6.7063 7.9656 7.9656 8.5620 8.5620 10.2246 10.2246 12.6471 12.6471 13.1452 13.1452 13.8920 13.8920 16.2281 16.2281 k = 0.1586-0.2661-0.5107 ( 3038 PWs) bands (ev): -44.8233 -44.8233 -40.1730 -40.1730 -22.3555 -22.3555 -20.3397 -20.3397 -20.1649 -20.1649 -12.2433 -12.2433 -12.0762 -12.0762 -12.0392 -12.0392 -2.9510 -2.9510 -2.3706 -2.3706 6.1364 6.1364 6.3435 6.3435 6.6961 6.6961 7.9374 7.9374 8.5127 8.5127 10.2012 10.2012 12.6528 12.6528 13.1870 13.1870 13.9096 13.9096 16.2148 16.2148 k = 0.1636-0.2744-0.5267 ( 3040 PWs) bands (ev): -44.8212 -44.8212 -40.1727 -40.1727 -22.3614 -22.3614 -20.3480 -20.3480 -20.1702 -20.1702 -12.2453 -12.2453 -12.0783 -12.0783 -12.0395 -12.0395 -2.9021 -2.9021 -2.3930 -2.3930 6.1458 6.1458 6.3917 6.3917 6.6871 6.6871 7.9166 7.9166 8.4661 8.4661 10.1742 10.1742 12.6577 12.6577 13.2277 13.2277 13.9246 13.9246 16.2013 16.2013 k = 0.1685-0.2827-0.5426 ( 3040 PWs) bands (ev): -44.8192 -44.8192 -40.1723 -40.1723 -22.3674 -22.3674 -20.3563 -20.3563 -20.1754 -20.1754 -12.2473 -12.2473 -12.0803 -12.0803 -12.0396 -12.0396 -2.8539 -2.8539 -2.4144 -2.4144 6.1556 6.1556 6.4272 6.4272 6.6860 6.6860 7.9026 7.9026 8.4224 8.4224 10.1438 10.1438 12.6619 12.6619 13.2675 13.2675 13.9367 13.9367 16.1886 16.1886 k = 0.1735-0.2911-0.5586 ( 3038 PWs) bands (ev): -44.8171 -44.8171 -40.1720 -40.1720 -22.3732 -22.3732 -20.3645 -20.3645 -20.1804 -20.1804 -12.2493 -12.2493 -12.0822 -12.0822 -12.0398 -12.0398 -2.8065 -2.8065 -2.4349 -2.4349 6.1658 6.1658 6.4425 6.4425 6.7014 6.7014 7.8940 7.8940 8.3815 8.3815 10.1103 10.1103 12.6656 12.6656 13.3062 13.3062 13.9453 13.9453 16.1775 16.1775 k = 0.1784-0.2994-0.5746 ( 3034 PWs) bands (ev): -44.8150 -44.8150 -40.1716 -40.1716 -22.3791 -22.3791 -20.3728 -20.3728 -20.1852 -20.1852 -12.2512 -12.2512 -12.0842 -12.0842 -12.0400 -12.0400 -2.7601 -2.7601 -2.4541 -2.4541 6.1763 6.1763 6.4360 6.4360 6.7358 6.7358 7.8897 7.8897 8.3437 8.3437 10.0740 10.0740 12.6688 12.6688 13.3439 13.3439 13.9502 13.9502 16.1688 16.1688 k = 0.1834-0.3077-0.5905 ( 3028 PWs) bands (ev): -44.8130 -44.8130 -40.1713 -40.1713 -22.3848 -22.3848 -20.3809 -20.3809 -20.1898 -20.1898 -12.2531 -12.2531 -12.0861 -12.0861 -12.0401 -12.0401 -2.7149 -2.7149 -2.4721 -2.4721 6.1868 6.1868 6.4135 6.4135 6.7843 6.7843 7.8884 7.8884 8.3091 8.3091 10.0351 10.0351 12.6718 12.6718 13.3805 13.3805 13.9511 13.9511 16.1631 16.1631 k = 0.1883-0.3160-0.6065 ( 3028 PWs) bands (ev): -44.8110 -44.8110 -40.1709 -40.1709 -22.3905 -22.3905 -20.3889 -20.3889 -20.1943 -20.1943 -12.2550 -12.2550 -12.0880 -12.0880 -12.0402 -12.0402 -2.6714 -2.6714 -2.4885 -2.4885 6.1973 6.1973 6.3821 6.3821 6.8409 6.8409 7.8891 7.8891 8.2776 8.2776 9.9941 9.9941 12.6743 12.6743 13.4161 13.4161 13.9479 13.9479 16.1609 16.1609 k = 0.1933-0.3243-0.6225 ( 3030 PWs) bands (ev): -44.8091 -44.8091 -40.1706 -40.1706 -22.3960 -22.3960 -20.3968 -20.3968 -20.1988 -20.1988 -12.2569 -12.2569 -12.0899 -12.0899 -12.0403 -12.0403 -2.6301 -2.6301 -2.5027 -2.5027 6.2076 6.2076 6.3463 6.3463 6.9018 6.9018 7.8906 7.8906 8.2493 8.2493 9.9511 9.9511 12.6764 12.6764 13.4505 13.4505 13.9408 13.9408 16.1626 16.1626 k = 0.1982-0.3326-0.6384 ( 3036 PWs) bands (ev): -44.8072 -44.8072 -40.1703 -40.1703 -22.4015 -22.4015 -20.4045 -20.4045 -20.2031 -20.2031 -12.2587 -12.2587 -12.0918 -12.0918 -12.0404 -12.0404 -2.5930 -2.5930 -2.5132 -2.5132 6.2173 6.2173 6.3088 6.3088 6.9652 6.9652 7.8921 7.8921 8.2243 8.2243 9.9066 9.9066 12.6779 12.6779 13.4838 13.4838 13.9300 13.9300 16.1683 16.1683 k = 0.2032-0.3410-0.6544 ( 3034 PWs) bands (ev): -44.8054 -44.8054 -40.1700 -40.1700 -22.4067 -22.4067 -20.4119 -20.4119 -20.2074 -20.2074 -12.2604 -12.2604 -12.0936 -12.0936 -12.0404 -12.0404 -2.5670 -2.5670 -2.5127 -2.5127 6.2253 6.2253 6.2726 6.2726 7.0299 7.0299 7.8928 7.8928 8.2026 8.2026 9.8608 9.8608 12.6787 12.6787 13.5159 13.5159 13.9159 13.9159 16.1781 16.1781 k = 0.2082-0.3493-0.6703 ( 3036 PWs) bands (ev): -44.8036 -44.8036 -40.1697 -40.1697 -22.4119 -22.4119 -20.4191 -20.4191 -20.2115 -20.2115 -12.2621 -12.2621 -12.0955 -12.0955 -12.0405 -12.0405 -2.5621 -2.5621 -2.4916 -2.4916 6.2210 6.2210 6.2491 6.2491 7.0952 7.0952 7.8922 7.8922 8.1841 8.1841 9.8140 9.8140 12.6783 12.6783 13.5466 13.5466 13.8994 13.8994 16.1919 16.1919 k = 0.2131-0.3576-0.6863 ( 3034 PWs) bands (ev): -44.8018 -44.8018 -40.1694 -40.1694 -22.4168 -22.4168 -20.4260 -20.4260 -20.2156 -20.2156 -12.2637 -12.2637 -12.0973 -12.0973 -12.0405 -12.0405 -2.5675 -2.5675 -2.4607 -2.4607 6.1919 6.1919 6.2518 6.2518 7.1608 7.1608 7.8895 7.8895 8.1688 8.1688 9.7666 9.7666 12.6764 12.6764 13.5760 13.5760 13.8812 13.8812 16.2095 16.2095 k = 0.2181-0.3659-0.7023 ( 3036 PWs) bands (ev): -44.8001 -44.8001 -40.1691 -40.1691 -22.4216 -22.4216 -20.4327 -20.4327 -20.2197 -20.2197 -12.2652 -12.2652 -12.0990 -12.0990 -12.0406 -12.0406 -2.5747 -2.5747 -2.4287 -2.4287 6.1597 6.1597 6.2593 6.2593 7.2261 7.2261 7.8845 7.8845 8.1566 8.1566 9.7189 9.7189 12.6726 12.6726 13.6038 13.6038 13.8623 13.8623 16.2306 16.2306 k = 0.2230-0.3742-0.7182 ( 3038 PWs) bands (ev): -44.7985 -44.7985 -40.1688 -40.1688 -22.4261 -22.4261 -20.4390 -20.4390 -20.2237 -20.2237 -12.2666 -12.2666 -12.1008 -12.1008 -12.0406 -12.0406 -2.5814 -2.5814 -2.3979 -2.3979 6.1295 6.1295 6.2670 6.2670 7.2910 7.2910 7.8769 7.8769 8.1474 8.1474 9.6711 9.6711 12.6664 12.6664 13.6298 13.6298 13.8439 13.8439 16.2548 16.2548 k = 0.2280-0.3825-0.7342 ( 3040 PWs) bands (ev): -44.7970 -44.7970 -40.1686 -40.1686 -22.4305 -22.4305 -20.4451 -20.4451 -20.2276 -20.2276 -12.2679 -12.2679 -12.1025 -12.1025 -12.0406 -12.0406 -2.5870 -2.5870 -2.3690 -2.3690 6.1022 6.1022 6.2744 6.2744 7.3550 7.3550 7.8664 7.8664 8.1411 8.1411 9.6235 9.6235 12.6571 12.6571 13.6536 13.6536 13.8274 13.8274 16.2817 16.2817 k = 0.2329-0.3909-0.7501 ( 3038 PWs) bands (ev): -44.7955 -44.7955 -40.1683 -40.1683 -22.4346 -22.4346 -20.4507 -20.4507 -20.2315 -20.2315 -12.2691 -12.2691 -12.1042 -12.1042 -12.0406 -12.0406 -2.5913 -2.5913 -2.3422 -2.3422 6.0783 6.0783 6.2813 6.2813 7.4178 7.4178 7.8529 7.8529 8.1376 8.1376 9.5765 9.5765 12.6445 12.6445 13.6747 13.6747 13.8143 13.8143 16.3111 16.3111 k = 0.2379-0.3992-0.7661 ( 3036 PWs) bands (ev): -44.7941 -44.7941 -40.1681 -40.1681 -22.4385 -22.4385 -20.4561 -20.4561 -20.2353 -20.2353 -12.2702 -12.2702 -12.1058 -12.1058 -12.0406 -12.0406 -2.5942 -2.5942 -2.3179 -2.3179 6.0581 6.0581 6.2877 6.2877 7.4791 7.4791 7.8366 7.8366 8.1367 8.1367 9.5304 9.5304 12.6280 12.6280 13.6922 13.6922 13.8060 13.8060 16.3423 16.3423 k = 0.2429-0.4075-0.7821 ( 3036 PWs) bands (ev): -44.7927 -44.7927 -40.1678 -40.1678 -22.4422 -22.4422 -20.4611 -20.4611 -20.2391 -20.2391 -12.2713 -12.2713 -12.1074 -12.1074 -12.0406 -12.0406 -2.5956 -2.5956 -2.2961 -2.2961 6.0417 6.0417 6.2935 6.2935 7.5380 7.5380 7.8177 7.8177 8.1381 8.1381 9.4854 9.4854 12.6075 12.6075 13.7054 13.7054 13.8040 13.8040 16.3753 16.3753 k = 0.2478-0.4158-0.7980 ( 3032 PWs) bands (ev): -44.7914 -44.7914 -40.1676 -40.1676 -22.4456 -22.4456 -20.4657 -20.4657 -20.2428 -20.2428 -12.2721 -12.2721 -12.1089 -12.1089 -12.0406 -12.0406 -2.5955 -2.5955 -2.2769 -2.2769 6.0293 6.0293 6.2988 6.2988 7.5931 7.5931 7.7976 7.7976 8.1417 8.1417 9.4419 9.4419 12.5830 12.5830 13.7145 13.7145 13.8084 13.8084 16.4096 16.4096 k = 0.2528-0.4241-0.8140 ( 3030 PWs) bands (ev): -44.7902 -44.7902 -40.1674 -40.1674 -22.4488 -22.4488 -20.4700 -20.4700 -20.2464 -20.2464 -12.2729 -12.2729 -12.1104 -12.1104 -12.0406 -12.0406 -2.5938 -2.5938 -2.2605 -2.2605 6.0209 6.0209 6.3035 6.3035 7.6402 7.6402 7.7803 7.7803 8.1471 8.1471 9.4001 9.4001 12.5547 12.5547 13.7211 13.7211 13.8176 13.8176 16.4450 16.4450 k = 0.2577-0.4324-0.8299 ( 3022 PWs) bands (ev): -44.7890 -44.7890 -40.1672 -40.1672 -22.4517 -22.4517 -20.4739 -20.4739 -20.2500 -20.2500 -12.2736 -12.2736 -12.1118 -12.1118 -12.0406 -12.0406 -2.5906 -2.5906 -2.2467 -2.2467 6.0167 6.0167 6.3079 6.3079 7.6665 7.6665 7.7784 7.7784 8.1541 8.1541 9.3604 9.3604 12.5229 12.5229 13.7273 13.7273 13.8296 13.8296 16.4813 16.4813 k = 0.2627-0.4407-0.8459 ( 3024 PWs) bands (ev): -44.7880 -44.7880 -40.1670 -40.1670 -22.4544 -22.4544 -20.4775 -20.4775 -20.2535 -20.2535 -12.2742 -12.2742 -12.1132 -12.1132 -12.0406 -12.0406 -2.5859 -2.5859 -2.2358 -2.2358 6.0166 6.0166 6.3119 6.3119 7.6590 7.6590 7.8049 7.8049 8.1622 8.1622 9.3230 9.3230 12.4883 12.4883 13.7343 13.7343 13.8425 13.8425 16.5184 16.5184 k = 0.2676-0.4491-0.8619 ( 3028 PWs) bands (ev): -44.7870 -44.7870 -40.1669 -40.1669 -22.4569 -22.4569 -20.4807 -20.4807 -20.2568 -20.2568 -12.2748 -12.2748 -12.1146 -12.1146 -12.0406 -12.0406 -2.5796 -2.5796 -2.2276 -2.2276 6.0204 6.0204 6.3155 6.3155 7.6313 7.6313 7.8462 7.8462 8.1711 8.1711 9.2884 9.2884 12.4516 12.4516 13.7428 13.7428 13.8554 13.8554 16.5563 16.5563 k = 0.2726-0.4574-0.8778 ( 3022 PWs) bands (ev): -44.7861 -44.7861 -40.1667 -40.1667 -22.4591 -22.4591 -20.4836 -20.4836 -20.2601 -20.2601 -12.2752 -12.2752 -12.1158 -12.1158 -12.0406 -12.0406 -2.5719 -2.5719 -2.2222 -2.2222 6.0282 6.0282 6.3190 6.3190 7.5951 7.5951 7.8906 7.8906 8.1802 8.1802 9.2569 9.2569 12.4135 12.4135 13.7526 13.7526 13.8677 13.8677 16.5950 16.5950 k = 0.2775-0.4657-0.8938 ( 3030 PWs) bands (ev): -44.7853 -44.7853 -40.1666 -40.1666 -22.4611 -22.4611 -20.4861 -20.4861 -20.2632 -20.2632 -12.2756 -12.2756 -12.1170 -12.1170 -12.0406 -12.0406 -2.5626 -2.5626 -2.2195 -2.2195 6.0396 6.0396 6.3224 6.3224 7.5544 7.5544 7.9342 7.9342 8.1892 8.1892 9.2288 9.2288 12.3747 12.3747 13.7634 13.7634 13.8790 13.8790 16.6344 16.6344 k = 0.2825-0.4740-0.9097 ( 3038 PWs) bands (ev): -44.7846 -44.7846 -40.1665 -40.1665 -22.4629 -22.4629 -20.4883 -20.4883 -20.2662 -20.2662 -12.2759 -12.2759 -12.1182 -12.1182 -12.0406 -12.0406 -2.5519 -2.5519 -2.2196 -2.2196 6.0544 6.0544 6.3257 6.3257 7.5108 7.5108 7.9757 7.9757 8.1976 8.1976 9.2044 9.2044 12.3362 12.3362 13.7748 13.7748 13.8890 13.8890 16.6747 16.6747 k = 0.2875-0.4823-0.9257 ( 3038 PWs) bands (ev): -44.7839 -44.7839 -40.1664 -40.1664 -22.4645 -22.4645 -20.4902 -20.4902 -20.2690 -20.2690 -12.2761 -12.2761 -12.1192 -12.1192 -12.0406 -12.0406 -2.5398 -2.5398 -2.2223 -2.2223 6.0721 6.0721 6.3291 6.3291 7.4653 7.4653 8.0145 8.0145 8.2050 8.2050 9.1840 9.1840 12.2986 12.2986 13.7864 13.7864 13.8978 13.8978 16.7159 16.7159 k = 0.2924-0.4906-0.9417 ( 3038 PWs) bands (ev): -44.7833 -44.7833 -40.1663 -40.1663 -22.4658 -22.4658 -20.4918 -20.4918 -20.2717 -20.2717 -12.2763 -12.2763 -12.1202 -12.1202 -12.0406 -12.0406 -2.5264 -2.5264 -2.2275 -2.2275 6.0922 6.0922 6.3327 6.3327 7.4186 7.4186 8.0501 8.0501 8.2109 8.2109 9.1679 9.1679 12.2625 12.2625 13.7975 13.7975 13.9051 13.9051 16.7581 16.7581 k = 0.2974-0.4990-0.9576 ( 3040 PWs) bands (ev): -44.7828 -44.7828 -40.1662 -40.1662 -22.4669 -22.4669 -20.4931 -20.4931 -20.2741 -20.2741 -12.2764 -12.2764 -12.1210 -12.1210 -12.0407 -12.0407 -2.5116 -2.5116 -2.2353 -2.2353 6.1141 6.1141 6.3367 6.3367 7.3718 7.3718 8.0822 8.0822 8.2150 8.2150 9.1561 9.1561 12.2285 12.2285 13.8078 13.8078 13.9109 13.9109 16.8015 16.8015 k = 0.3023-0.5073-0.9736 ( 3040 PWs) bands (ev): -44.7824 -44.7824 -40.1661 -40.1661 -22.4679 -22.4679 -20.4941 -20.4941 -20.2763 -20.2763 -12.2764 -12.2764 -12.1217 -12.1217 -12.0407 -12.0407 -2.4956 -2.4956 -2.2454 -2.2454 6.1369 6.1369 6.3411 6.3411 7.3257 7.3257 8.1108 8.1108 8.2171 8.2171 9.1489 9.1489 12.1970 12.1970 13.8168 13.8168 13.9151 13.9151 16.8461 16.8461 k = 0.3073-0.5156-0.9895 ( 3046 PWs) bands (ev): -44.7820 -44.7820 -40.1660 -40.1660 -22.4687 -22.4687 -20.4949 -20.4949 -20.2783 -20.2783 -12.2765 -12.2765 -12.1224 -12.1224 -12.0407 -12.0407 -2.4786 -2.4786 -2.2576 -2.2576 6.1594 6.1594 6.3460 6.3460 7.2816 7.2816 8.1357 8.1357 8.2170 8.2170 9.1461 9.1461 12.1685 12.1685 13.8243 13.8243 13.9178 13.9178 16.8920 16.8920 k = 0.3122-0.5239-1.0055 ( 3046 PWs) bands (ev): -44.7817 -44.7817 -40.1660 -40.1660 -22.4693 -22.4693 -20.4955 -20.4955 -20.2800 -20.2800 -12.2764 -12.2764 -12.1229 -12.1229 -12.0407 -12.0407 -2.4605 -2.4605 -2.2718 -2.2718 6.1804 6.1804 6.3515 6.3515 7.2411 7.2411 8.1567 8.1567 8.2147 8.2147 9.1475 9.1475 12.1431 12.1431 13.8300 13.8300 13.9189 13.9189 16.9392 16.9392 k = 0.3172-0.5322-1.0215 ( 3048 PWs) bands (ev): -44.7815 -44.7815 -40.1660 -40.1660 -22.4698 -22.4698 -20.4959 -20.4959 -20.2813 -20.2813 -12.2764 -12.2764 -12.1234 -12.1234 -12.0407 -12.0407 -2.4419 -2.4419 -2.2877 -2.2877 6.1983 6.1983 6.3575 6.3575 7.2058 7.2058 8.1738 8.1738 8.2105 8.2105 9.1530 9.1530 12.1211 12.1211 13.8336 13.8336 13.9185 13.9185 16.9876 16.9876 k = 0.3222-0.5405-1.0374 ( 3046 PWs) bands (ev): -44.7813 -44.7813 -40.1659 -40.1659 -22.4701 -22.4701 -20.4962 -20.4962 -20.2824 -20.2824 -12.2764 -12.2764 -12.1237 -12.1237 -12.0407 -12.0407 -2.4231 -2.4231 -2.3045 -2.3045 6.2114 6.2114 6.3636 6.3636 7.1778 7.1778 8.1863 8.1863 8.2051 8.2051 9.1621 9.1621 12.1025 12.1025 13.8352 13.8352 13.9165 13.9165 17.0374 17.0374 k = 0.3271-0.5489-1.0534 ( 3040 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4703 -22.4703 -20.4963 -20.4963 -20.2831 -20.2831 -12.2763 -12.2763 -12.1238 -12.1238 -12.0406 -12.0406 -2.4058 -2.4058 -2.3206 -2.3206 6.2183 6.2183 6.3695 6.3695 7.1592 7.1592 8.1896 8.1896 8.2034 8.2034 9.1744 9.1744 12.0871 12.0871 13.8346 13.8346 13.9131 13.9131 17.0883 17.0883 k = 0.3321-0.5572-1.0693 ( 3042 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4704 -22.4704 -20.4964 -20.4964 -20.2834 -20.2834 -12.2763 -12.2763 -12.1239 -12.1239 -12.0406 -12.0406 -2.3950 -2.3950 -2.3310 -2.3310 6.2175 6.2175 6.3749 6.3749 7.1519 7.1519 8.1820 8.1820 8.2076 8.2076 9.1894 9.1894 12.0750 12.0750 13.8319 13.8319 13.9082 13.9082 17.1401 17.1401 k = 0.3370-0.5655-1.0853 ( 3042 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4703 -22.4703 -20.4964 -20.4964 -20.2833 -20.2833 -12.2762 -12.2762 -12.1239 -12.1239 -12.0406 -12.0406 -2.3993 -2.3993 -2.3269 -2.3269 6.2076 6.2076 6.3798 6.3798 7.1571 7.1571 8.1709 8.1709 8.2107 8.2107 9.2066 9.2066 12.0658 12.0658 13.8272 13.8272 13.9021 13.9021 17.1927 17.1927 k = 0.3420-0.5738-1.1013 ( 3036 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4702 -22.4702 -20.4963 -20.4963 -20.2828 -20.2828 -12.2762 -12.2762 -12.1237 -12.1237 -12.0405 -12.0405 -2.4169 -2.4169 -2.3102 -2.3102 6.1879 6.1879 6.3848 6.3848 7.1752 7.1752 8.1583 8.1583 8.2113 8.2113 9.2256 9.2256 12.0593 12.0593 13.8205 13.8205 13.8949 13.8949 17.2454 17.2454 k = 0.6580-0.4361-1.0177 ( 3036 PWs) bands (ev): -44.7812 -44.7812 -40.1659 -40.1659 -22.4702 -22.4702 -20.4963 -20.4963 -20.2828 -20.2828 -12.2762 -12.2762 -12.1237 -12.1237 -12.0405 -12.0405 -2.4169 -2.4169 -2.3102 -2.3102 6.1879 6.1879 6.3848 6.3848 7.1752 7.1752 8.1583 8.1583 8.2113 8.2113 9.2256 9.2256 12.0593 12.0593 13.8205 13.8205 13.8949 13.8949 17.2454 17.2454 k = 0.6531-0.4182-1.0177 ( 3042 PWs) bands (ev): -44.7814 -44.7814 -40.1659 -40.1659 -22.4700 -22.4700 -20.4963 -20.4963 -20.2818 -20.2818 -12.2762 -12.2762 -12.1234 -12.1234 -12.0405 -12.0405 -2.4402 -2.4402 -2.2884 -2.2884 6.1588 6.1588 6.3905 6.3905 7.2051 7.2051 8.1447 8.1447 8.2095 8.2095 9.2457 9.2457 12.0551 12.0551 13.8120 13.8120 13.8867 13.8867 17.2891 17.2891 k = 0.6481-0.4002-1.0177 ( 3038 PWs) bands (ev): -44.7815 -44.7815 -40.1660 -40.1660 -22.4698 -22.4698 -20.4964 -20.4964 -20.2804 -20.2804 -12.2763 -12.2763 -12.1230 -12.1230 -12.0404 -12.0404 -2.4661 -2.4661 -2.2643 -2.2643 6.1210 6.1210 6.3972 6.3972 7.2456 7.2456 8.1303 8.1303 8.2057 8.2057 9.2666 9.2666 12.0527 12.0527 13.8018 13.8018 13.8779 13.8779 17.2645 17.2645 k = 0.6432-0.3823-1.0177 ( 3040 PWs) bands (ev): -44.7817 -44.7817 -40.1660 -40.1660 -22.4695 -22.4695 -20.4965 -20.4965 -20.2785 -20.2785 -12.2764 -12.2764 -12.1226 -12.1226 -12.0403 -12.0403 -2.4937 -2.4937 -2.2390 -2.2390 6.0761 6.0761 6.4051 6.4051 7.2949 7.2949 8.1153 8.1153 8.2003 8.2003 9.2878 9.2878 12.0516 12.0516 13.7902 13.7902 13.8686 13.8686 17.2300 17.2300 k = 0.6383-0.3644-1.0177 ( 3038 PWs) bands (ev): -44.7820 -44.7820 -40.1660 -40.1660 -22.4692 -22.4692 -20.4966 -20.4966 -20.2762 -20.2762 -12.2765 -12.2765 -12.1220 -12.1220 -12.0402 -12.0402 -2.5223 -2.5223 -2.2129 -2.2129 6.0255 6.0255 6.4142 6.4142 7.3512 7.3512 8.0998 8.0998 8.1939 8.1939 9.3090 9.3090 12.0514 12.0514 13.7774 13.7774 13.8592 13.8592 17.1984 17.1984 k = 0.6333-0.3464-1.0177 ( 3026 PWs) bands (ev): -44.7822 -44.7822 -40.1661 -40.1661 -22.4688 -22.4688 -20.4969 -20.4969 -20.2734 -20.2734 -12.2765 -12.2765 -12.1212 -12.1212 -12.0400 -12.0400 -2.5518 -2.5518 -2.1863 -2.1863 5.9708 5.9708 6.4246 6.4246 7.4127 7.4127 8.0839 8.0839 8.1873 8.1873 9.3298 9.3298 12.0515 12.0515 13.7635 13.7635 13.8500 13.8500 17.1704 17.1704 k = 0.6284-0.3285-1.0177 ( 3024 PWs) bands (ev): -44.7826 -44.7826 -40.1661 -40.1661 -22.4684 -22.4684 -20.4973 -20.4973 -20.2702 -20.2702 -12.2767 -12.2767 -12.1205 -12.1205 -12.0399 -12.0399 -2.5819 -2.5819 -2.1594 -2.1594 5.9132 5.9132 6.4362 6.4362 7.4775 7.4775 8.0677 8.0677 8.1813 8.1813 9.3498 9.3498 12.0514 12.0514 13.7488 13.7488 13.8412 13.8412 17.1463 17.1463 k = 0.6235-0.3106-1.0177 ( 3024 PWs) bands (ev): -44.7829 -44.7829 -40.1662 -40.1662 -22.4680 -22.4680 -20.4977 -20.4977 -20.2666 -20.2666 -12.2770 -12.2770 -12.1197 -12.1197 -12.0397 -12.0397 -2.6123 -2.6123 -2.1322 -2.1322 5.8536 5.8536 6.4489 6.4489 7.5436 7.5436 8.0512 8.0512 8.1774 8.1774 9.3688 9.3688 12.0505 12.0505 13.7335 13.7335 13.8333 13.8333 17.1262 17.1262 k = 0.6185-0.2927-1.0177 ( 3020 PWs) bands (ev): -44.7833 -44.7833 -40.1662 -40.1662 -22.4676 -22.4676 -20.4983 -20.4983 -20.2626 -20.2626 -12.2772 -12.2772 -12.1188 -12.1188 -12.0394 -12.0394 -2.6430 -2.6430 -2.1050 -2.1050 5.7929 5.7929 6.4629 6.4629 7.6088 7.6088 8.0345 8.0345 8.1773 8.1773 9.3866 9.3866 12.0483 12.0483 13.7180 13.7180 13.8264 13.8264 17.1101 17.1101 k = 0.6136-0.2747-1.0177 ( 3030 PWs) bands (ev): -44.7837 -44.7837 -40.1663 -40.1663 -22.4672 -22.4672 -20.4991 -20.4991 -20.2582 -20.2582 -12.2776 -12.2776 -12.1179 -12.1179 -12.0393 -12.0393 -2.6737 -2.6737 -2.0777 -2.0777 5.7318 5.7318 6.4779 6.4779 7.6699 7.6699 8.0175 8.0175 8.1836 8.1836 9.4029 9.4029 12.0444 12.0444 13.7024 13.7024 13.8208 13.8208 17.0981 17.0981 k = 0.6086-0.2568-1.0177 ( 3028 PWs) bands (ev): -44.7841 -44.7841 -40.1664 -40.1664 -22.4668 -22.4668 -20.4999 -20.4999 -20.2536 -20.2536 -12.2779 -12.2779 -12.1169 -12.1169 -12.0390 -12.0390 -2.7042 -2.7042 -2.0507 -2.0507 5.6708 5.6708 6.4941 6.4941 7.7236 7.7236 8.0002 8.0002 8.1993 8.1993 9.4177 9.4177 12.0383 12.0383 13.6870 13.6870 13.8167 13.8167 17.0900 17.0900 k = 0.6037-0.2389-1.0177 ( 3024 PWs) bands (ev): -44.7845 -44.7845 -40.1664 -40.1664 -22.4664 -22.4664 -20.5008 -20.5008 -20.2486 -20.2486 -12.2782 -12.2782 -12.1159 -12.1159 -12.0387 -12.0387 -2.7345 -2.7345 -2.0239 -2.0239 5.6104 5.6104 6.5115 6.5115 7.7664 7.7664 7.9825 7.9825 8.2277 8.2277 9.4307 9.4307 12.0297 12.0297 13.6722 13.6722 13.8143 13.8143 17.0858 17.0858 k = 0.5988-0.2209-1.0177 ( 3024 PWs) bands (ev): -44.7849 -44.7849 -40.1665 -40.1665 -22.4660 -22.4660 -20.5018 -20.5018 -20.2435 -20.2435 -12.2786 -12.2786 -12.1149 -12.1149 -12.0384 -12.0384 -2.7644 -2.7644 -1.9975 -1.9975 5.5510 5.5510 6.5299 6.5299 7.7961 7.7961 7.9645 7.9645 8.2706 8.2706 9.4419 9.4419 12.0184 12.0184 13.6582 13.6582 13.8136 13.8136 17.0852 17.0852 k = 0.5938-0.2030-1.0177 ( 3022 PWs) bands (ev): -44.7854 -44.7854 -40.1666 -40.1666 -22.4657 -22.4657 -20.5029 -20.5029 -20.2381 -20.2381 -12.2790 -12.2790 -12.1139 -12.1139 -12.0380 -12.0380 -2.7938 -2.7938 -1.9716 -1.9716 5.4930 5.4930 6.5495 6.5495 7.8133 7.8133 7.9461 7.9461 8.3273 8.3273 9.4512 9.4512 12.0040 12.0040 13.6451 13.6451 13.8147 13.8147 17.0880 17.0880 k = 0.5889-0.1851-1.0177 ( 3020 PWs) bands (ev): -44.7858 -44.7858 -40.1667 -40.1667 -22.4653 -22.4653 -20.5040 -20.5040 -20.2327 -20.2327 -12.2794 -12.2794 -12.1129 -12.1129 -12.0376 -12.0376 -2.8225 -2.8225 -1.9463 -1.9463 5.4366 5.4366 6.5702 6.5702 7.8203 7.8203 7.9272 7.9272 8.3951 8.3951 9.4587 9.4587 11.9865 11.9865 13.6332 13.6332 13.8175 13.8175 17.0941 17.0941 k = 0.5839-0.1671-1.0177 ( 3024 PWs) bands (ev): -44.7863 -44.7863 -40.1667 -40.1667 -22.4650 -22.4650 -20.5052 -20.5052 -20.2271 -20.2271 -12.2799 -12.2799 -12.1119 -12.1119 -12.0373 -12.0373 -2.8504 -2.8504 -1.9216 -1.9216 5.3821 5.3821 6.5918 6.5918 7.8200 7.8200 7.9078 7.9078 8.4709 8.4709 9.4644 9.4644 11.9658 11.9658 13.6225 13.6225 13.8220 13.8220 17.1031 17.1031 k = 0.5790-0.1492-1.0177 ( 3028 PWs) bands (ev): -44.7867 -44.7867 -40.1668 -40.1668 -22.4647 -22.4647 -20.5064 -20.5064 -20.2216 -20.2216 -12.2804 -12.2804 -12.1110 -12.1110 -12.0369 -12.0369 -2.8774 -2.8774 -1.8978 -1.8978 5.3297 5.3297 6.6145 6.6145 7.8148 7.8148 7.8880 7.8880 8.5519 8.5519 9.4683 9.4683 11.9420 11.9420 13.6133 13.6133 13.8280 13.8280 17.1147 17.1147 k = 0.5741-0.1313-1.0177 ( 3024 PWs) bands (ev): -44.7871 -44.7871 -40.1669 -40.1669 -22.4645 -22.4645 -20.5076 -20.5076 -20.2160 -20.2160 -12.2808 -12.2808 -12.1100 -12.1100 -12.0364 -12.0364 -2.9034 -2.9034 -1.8748 -1.8748 5.2796 5.2796 6.6380 6.6380 7.8064 7.8064 7.8676 7.8676 8.6361 8.6361 9.4707 9.4707 11.9153 11.9153 13.6056 13.6056 13.8353 13.8353 17.1287 17.1287 k = 0.5691-0.1133-1.0177 ( 3024 PWs) bands (ev): -44.7876 -44.7876 -40.1670 -40.1670 -22.4642 -22.4642 -20.5088 -20.5088 -20.2106 -20.2106 -12.2812 -12.2812 -12.1091 -12.1091 -12.0360 -12.0360 -2.9282 -2.9282 -1.8529 -1.8529 5.2321 5.2321 6.6623 6.6623 7.7962 7.7962 7.8469 7.8469 8.7219 8.7219 9.4716 9.4716 11.8858 11.8858 13.5993 13.5993 13.8437 13.8437 17.1448 17.1448 k = 0.5642-0.0954-1.0177 ( 3030 PWs) bands (ev): -44.7880 -44.7880 -40.1670 -40.1670 -22.4640 -22.4640 -20.5100 -20.5100 -20.2053 -20.2053 -12.2817 -12.2817 -12.1083 -12.1083 -12.0356 -12.0356 -2.9518 -2.9518 -1.8320 -1.8320 5.1872 5.1872 6.6873 6.6873 7.7848 7.7848 7.8259 7.8259 8.8079 8.8079 9.4712 9.4712 11.8539 11.8539 13.5944 13.5944 13.8529 13.8529 17.1625 17.1625 k = 0.5593-0.0775-1.0177 ( 3032 PWs) bands (ev): -44.7884 -44.7884 -40.1671 -40.1671 -22.4639 -22.4639 -20.5112 -20.5112 -20.2001 -20.2001 -12.2821 -12.2821 -12.1075 -12.1075 -12.0352 -12.0352 -2.9740 -2.9740 -1.8122 -1.8122 5.1451 5.1451 6.7127 6.7127 7.7727 7.7727 7.8047 7.8047 8.8933 8.8933 9.4698 9.4698 11.8200 11.8200 13.5909 13.5909 13.8628 13.8628 17.1816 17.1816 k = 0.5543-0.0595-1.0177 ( 3040 PWs) bands (ev): -44.7888 -44.7888 -40.1672 -40.1672 -22.4637 -22.4637 -20.5123 -20.5123 -20.1953 -20.1953 -12.2826 -12.2826 -12.1068 -12.1068 -12.0348 -12.0348 -2.9949 -2.9949 -1.7938 -1.7938 5.1060 5.1060 6.7384 6.7384 7.7600 7.7600 7.7839 7.7839 8.9769 8.9769 9.4676 9.4676 11.7844 11.7844 13.5886 13.5886 13.8730 13.8730 17.2017 17.2017 k = 0.5494-0.0416-1.0177 ( 3044 PWs) bands (ev): -44.7891 -44.7891 -40.1672 -40.1672 -22.4636 -22.4636 -20.5133 -20.5133 -20.1906 -20.1906 -12.2829 -12.2829 -12.1061 -12.1061 -12.0344 -12.0344 -3.0142 -3.0142 -1.7766 -1.7766 5.0699 5.0699 6.7642 6.7642 7.7460 7.7460 7.7646 7.7646 9.0579 9.0579 9.4648 9.4648 11.7477 11.7477 13.5874 13.5874 13.8833 13.8833 17.2224 17.2224 k = 0.5444-0.0237-1.0177 ( 3046 PWs) bands (ev): -44.7894 -44.7894 -40.1673 -40.1673 -22.4634 -22.4634 -20.5143 -20.5143 -20.1863 -20.1863 -12.2833 -12.2833 -12.1055 -12.1055 -12.0340 -12.0340 -3.0319 -3.0319 -1.7609 -1.7609 5.0370 5.0370 6.7898 6.7898 7.7293 7.7293 7.7487 7.7487 9.1353 9.1353 9.4619 9.4619 11.7106 11.7106 13.5872 13.5872 13.8934 13.8934 17.2434 17.2434 k = 0.5395-0.0058-1.0177 ( 3040 PWs) bands (ev): -44.7897 -44.7897 -40.1673 -40.1673 -22.4633 -22.4633 -20.5152 -20.5152 -20.1823 -20.1823 -12.2836 -12.2836 -12.1049 -12.1049 -12.0336 -12.0336 -3.0479 -3.0479 -1.7466 -1.7466 5.0073 5.0073 6.8148 6.8148 7.7102 7.7102 7.7364 7.7364 9.2081 9.2081 9.4591 9.4591 11.6738 11.6738 13.5877 13.5877 13.9031 13.9031 17.2641 17.2642 k = 0.5346 0.0122-1.0177 ( 3038 PWs) bands (ev): -44.7900 -44.7900 -40.1674 -40.1674 -22.4632 -22.4632 -20.5160 -20.5160 -20.1787 -20.1787 -12.2839 -12.2839 -12.1044 -12.1044 -12.0333 -12.0333 -3.0622 -3.0622 -1.7339 -1.7339 4.9809 4.9809 6.8389 6.8389 7.6904 7.6904 7.7263 7.7263 9.2747 9.2747 9.4572 9.4572 11.6380 11.6380 13.5887 13.5887 13.9122 13.9122 17.2843 17.2844 k = 0.5296 0.0301-1.0177 ( 3038 PWs) bands (ev): -44.7902 -44.7902 -40.1674 -40.1674 -22.4632 -22.4632 -20.5167 -20.5167 -20.1755 -20.1755 -12.2841 -12.2841 -12.1039 -12.1039 -12.0329 -12.0329 -3.0747 -3.0747 -1.7227 -1.7227 4.9580 4.9580 6.8615 6.8615 7.6711 7.6711 7.7178 7.7178 9.3331 9.3331 9.4576 9.4576 11.6041 11.6041 13.5901 13.5901 13.9204 13.9204 17.3035 17.3035 k = 0.5247 0.0480-1.0177 ( 3042 PWs) bands (ev): -44.7904 -44.7904 -40.1675 -40.1675 -22.4631 -22.4631 -20.5173 -20.5173 -20.1728 -20.1728 -12.2844 -12.2844 -12.1036 -12.1036 -12.0327 -12.0327 -3.0854 -3.0854 -1.7132 -1.7132 4.9384 4.9384 6.8822 6.8822 7.6532 7.6532 7.7107 7.7107 9.3789 9.3789 9.4637 9.4637 11.5731 11.5731 13.5916 13.5916 13.9277 13.9277 17.3211 17.3211 k = 0.5198 0.0660-1.0177 ( 3040 PWs) bands (ev): -44.7906 -44.7906 -40.1675 -40.1675 -22.4630 -22.4630 -20.5179 -20.5179 -20.1705 -20.1705 -12.2846 -12.2846 -12.1033 -12.1033 -12.0324 -12.0324 -3.0942 -3.0942 -1.7053 -1.7053 4.9224 4.9224 6.9003 6.9003 7.6373 7.6373 7.7048 7.7048 9.4057 9.4057 9.4811 9.4811 11.5459 11.5459 13.5932 13.5932 13.9339 13.9339 17.3366 17.3366 k = 0.5148 0.0839-1.0177 ( 3038 PWs) bands (ev): -44.7907 -44.7907 -40.1675 -40.1675 -22.4630 -22.4630 -20.5183 -20.5183 -20.1687 -20.1687 -12.2847 -12.2847 -12.1031 -12.1031 -12.0323 -12.0323 -3.1011 -3.1011 -1.6992 -1.6992 4.9099 4.9099 6.9152 6.9152 7.6241 7.6241 7.7002 7.7002 9.4159 9.4159 9.5065 9.5065 11.5236 11.5236 13.5945 13.5945 13.9388 13.9388 17.3494 17.3494 k = 0.5099 0.1018-1.0177 ( 3036 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4630 -22.4630 -20.5186 -20.5186 -20.1675 -20.1675 -12.2848 -12.2848 -12.1029 -12.1029 -12.0321 -12.0321 -3.1060 -3.1060 -1.6948 -1.6948 4.9009 4.9009 6.9264 6.9264 7.6141 7.6141 7.6969 7.6969 9.4190 9.4190 9.5294 9.5294 11.5068 11.5068 13.5956 13.5956 13.9424 13.9424 17.3591 17.3591 k = 0.5049 0.1198-1.0177 ( 3036 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4630 -22.4630 -20.5187 -20.5187 -20.1667 -20.1667 -12.2849 -12.2849 -12.1028 -12.1028 -12.0320 -12.0320 -3.1090 -3.1090 -1.6921 -1.6921 4.8955 4.8955 6.9333 6.9333 7.6079 7.6079 7.6949 7.6949 9.4199 9.4199 9.5444 9.5444 11.4965 11.4965 13.5963 13.5963 13.9445 13.9445 17.3651 17.3651 k = 0.5000 0.1377-1.0177 ( 3030 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4630 -22.4630 -20.5188 -20.5188 -20.1664 -20.1664 -12.2849 -12.2849 -12.1027 -12.1027 -12.0320 -12.0320 -3.1099 -3.1099 -1.6913 -1.6913 4.8937 4.8937 6.9357 6.9357 7.6058 7.6058 7.6943 7.6943 9.4200 9.4200 9.5497 9.5497 11.4930 11.4930 13.5965 13.5965 13.9453 13.9453 17.3672 17.3672 k = 0.5000 0.1377-1.0177 ( 3030 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4630 -22.4630 -20.5188 -20.5188 -20.1664 -20.1664 -12.2849 -12.2849 -12.1027 -12.1027 -12.0320 -12.0320 -3.1099 -3.1099 -1.6913 -1.6913 4.8937 4.8937 6.9357 6.9357 7.6058 7.6058 7.6943 7.6943 9.4200 9.4200 9.5497 9.5497 11.4930 11.4930 13.5965 13.5965 13.9453 13.9453 17.3672 17.3672 k = 0.5158 0.1420-1.0094 ( 3034 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4629 -22.4629 -20.5188 -20.5188 -20.1664 -20.1664 -12.2849 -12.2849 -12.1027 -12.1027 -12.0320 -12.0320 -3.1099 -3.1099 -1.6914 -1.6914 4.8943 4.8943 6.9357 6.9357 7.5976 7.5976 7.7017 7.7017 9.4195 9.4195 9.5495 9.5495 11.4940 11.4940 13.5965 13.5965 13.9450 13.9450 17.3652 17.3652 k = 0.5316 0.1464-1.0010 ( 3042 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4629 -22.4629 -20.5187 -20.5187 -20.1664 -20.1664 -12.2849 -12.2849 -12.1028 -12.1028 -12.0321 -12.0321 -3.1097 -3.1097 -1.6918 -1.6918 4.8961 4.8961 6.9357 6.9357 7.5782 7.5782 7.7189 7.7189 9.4180 9.4180 9.5492 9.5492 11.4969 11.4969 13.5965 13.5965 13.9441 13.9441 17.3592 17.3592 k = 0.5474 0.1508-0.9927 ( 3044 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4628 -22.4628 -20.5186 -20.5186 -20.1664 -20.1664 -12.2849 -12.2849 -12.1028 -12.1028 -12.0321 -12.0321 -3.1094 -3.1094 -1.6925 -1.6925 4.8990 4.8990 6.9357 6.9357 7.5538 7.5538 7.7398 7.7398 9.4154 9.4154 9.5486 9.5486 11.5018 11.5018 13.5966 13.5966 13.9426 13.9426 17.3496 17.3496 k = 0.5632 0.1551-0.9843 ( 3042 PWs) bands (ev): -44.7910 -44.7910 -40.1675 -40.1675 -22.4627 -22.4627 -20.5184 -20.5184 -20.1664 -20.1664 -12.2849 -12.2849 -12.1028 -12.1028 -12.0321 -12.0321 -3.1089 -3.1089 -1.6935 -1.6935 4.9031 4.9031 6.9357 6.9357 7.5272 7.5272 7.7614 7.7614 9.4119 9.4119 9.5479 9.5479 11.5086 11.5086 13.5966 13.5966 13.9407 13.9407 17.3369 17.3369 k = 0.5790 0.1595-0.9760 ( 3033 PWs) bands (ev): -44.7910 -44.7910 -40.1675 -40.1675 -22.4625 -22.4625 -20.5181 -20.5181 -20.1664 -20.1664 -12.2848 -12.2848 -12.1027 -12.1027 -12.0321 -12.0321 -3.1084 -3.1084 -1.6947 -1.6947 4.9084 4.9084 6.9358 6.9358 7.4993 7.4993 7.7828 7.7828 9.4074 9.4074 9.5469 9.5469 11.5172 11.5172 13.5967 13.5967 13.9383 13.9383 17.3214 17.3214 k = 0.5948 0.1638-0.9676 ( 3035 PWs) bands (ev): -44.7910 -44.7910 -40.1676 -40.1676 -22.4623 -22.4623 -20.5178 -20.5178 -20.1663 -20.1663 -12.2848 -12.2848 -12.1027 -12.1027 -12.0321 -12.0321 -3.1077 -3.1077 -1.6962 -1.6962 4.9147 4.9147 6.9358 6.9358 7.4709 7.4709 7.8035 7.8035 9.4021 9.4021 9.5458 9.5458 11.5276 11.5276 13.5968 13.5968 13.9356 13.9356 17.3037 17.3037 k = 0.6106 0.1682-0.9593 ( 3037 PWs) bands (ev): -44.7911 -44.7911 -40.1676 -40.1676 -22.4621 -22.4621 -20.5175 -20.5175 -20.1663 -20.1663 -12.2848 -12.2848 -12.1027 -12.1027 -12.0322 -12.0322 -3.1069 -3.1069 -1.6980 -1.6980 4.9222 4.9222 6.9359 6.9359 7.4422 7.4422 7.8231 7.8231 9.3959 9.3959 9.5444 9.5444 11.5396 11.5396 13.5968 13.5968 13.9327 13.9327 17.2843 17.2843 k = 0.6264 0.1725-0.9509 ( 3037 PWs) bands (ev): -44.7912 -44.7912 -40.1676 -40.1676 -22.4618 -22.4618 -20.5171 -20.5171 -20.1663 -20.1663 -12.2848 -12.2848 -12.1027 -12.1027 -12.0323 -12.0323 -3.1059 -3.1059 -1.7002 -1.7002 4.9306 4.9306 6.9359 6.9359 7.4134 7.4134 7.8414 7.8414 9.3889 9.3889 9.5430 9.5430 11.5532 11.5532 13.5970 13.5970 13.9296 13.9296 17.2636 17.2636 k = 0.6422 0.1769-0.9426 ( 3039 PWs) bands (ev): -44.7913 -44.7913 -40.1676 -40.1676 -22.4615 -22.4615 -20.5167 -20.5167 -20.1663 -20.1663 -12.2847 -12.2847 -12.1027 -12.1027 -12.0324 -12.0324 -3.1048 -3.1048 -1.7026 -1.7026 4.9401 4.9401 6.9360 6.9360 7.3847 7.3847 7.8584 7.8584 9.3813 9.3813 9.5413 9.5413 11.5682 11.5682 13.5971 13.5971 13.9266 13.9266 17.2420 17.2420 k = 0.6580 0.1812-0.9342 ( 3032 PWs) bands (ev): -44.7914 -44.7914 -40.1676 -40.1676 -22.4611 -22.4611 -20.5162 -20.5162 -20.1662 -20.1662 -12.2846 -12.2846 -12.1026 -12.1026 -12.0324 -12.0324 -3.1037 -3.1037 -1.7053 -1.7053 4.9505 4.9505 6.9361 6.9361 7.3563 7.3563 7.8739 7.8739 9.3731 9.3731 9.5395 9.5395 11.5845 11.5845 13.5973 13.5973 13.9237 13.9237 17.2197 17.2197 k = 0.6580 0.1812-0.9342 ( 3032 PWs) bands (ev): -44.7914 -44.7914 -40.1676 -40.1676 -22.4611 -22.4611 -20.5162 -20.5162 -20.1662 -20.1662 -12.2846 -12.2846 -12.1026 -12.1026 -12.0324 -12.0324 -3.1037 -3.1037 -1.7053 -1.7053 4.9505 4.9505 6.9361 6.9361 7.3563 7.3563 7.8739 7.8739 9.3731 9.3731 9.5395 9.5395 11.5845 11.5845 13.5973 13.5973 13.9237 13.9237 17.2197 17.2197 k = 0.6551 0.1804-0.9157 ( 3038 PWs) bands (ev): -44.7918 -44.7918 -40.1677 -40.1677 -22.4598 -22.4598 -20.5142 -20.5142 -20.1661 -20.1661 -12.2841 -12.2841 -12.1024 -12.1024 -12.0325 -12.0325 -3.1004 -3.1004 -1.7154 -1.7154 4.9639 4.9639 6.9376 6.9376 7.3079 7.3079 7.9080 7.9080 9.3826 9.3826 9.5314 9.5314 11.5847 11.5847 13.5977 13.5977 13.9156 13.9156 17.1679 17.1679 k = 0.6523 0.1796-0.8972 ( 3033 PWs) bands (ev): -44.7923 -44.7923 -40.1678 -40.1678 -22.4580 -22.4580 -20.5117 -20.5117 -20.1660 -20.1660 -12.2833 -12.2833 -12.1020 -12.1020 -12.0326 -12.0326 -3.0960 -3.0960 -1.7287 -1.7287 4.9816 4.9816 6.9396 6.9396 7.2594 7.2594 7.9369 7.9369 9.3929 9.3929 9.5214 9.5214 11.5879 11.5879 13.5983 13.5983 13.9070 13.9070 17.1109 17.1109 k = 0.6494 0.1788-0.8787 ( 3035 PWs) bands (ev): -44.7929 -44.7929 -40.1679 -40.1679 -22.4558 -22.4558 -20.5086 -20.5086 -20.1659 -20.1659 -12.2825 -12.2825 -12.1016 -12.1016 -12.0328 -12.0328 -3.0904 -3.0904 -1.7452 -1.7452 5.0034 5.0034 6.9419 6.9419 7.2113 7.2113 7.9598 7.9598 9.4038 9.4038 9.5103 9.5103 11.5937 11.5937 13.5988 13.5988 13.8983 13.8983 17.0488 17.0488 k = 0.6465 0.1780-0.8602 ( 3037 PWs) bands (ev): -44.7936 -44.7936 -40.1680 -40.1680 -22.4533 -22.4533 -20.5050 -20.5050 -20.1657 -20.1657 -12.2815 -12.2815 -12.1011 -12.1011 -12.0329 -12.0329 -3.0839 -3.0839 -1.7647 -1.7647 5.0291 5.0291 6.9444 6.9444 7.1643 7.1643 7.9759 7.9759 9.4144 9.4144 9.4997 9.4997 11.6017 11.6017 13.5991 13.5991 13.8897 13.8897 16.9818 16.9818 k = 0.6437 0.1773-0.8417 ( 3034 PWs) bands (ev): -44.7944 -44.7944 -40.1681 -40.1681 -22.4505 -22.4505 -20.5008 -20.5008 -20.1654 -20.1654 -12.2803 -12.2803 -12.1005 -12.1005 -12.0331 -12.0331 -3.0763 -3.0763 -1.7871 -1.7871 5.0584 5.0584 6.9472 6.9472 7.1188 7.1188 7.9847 7.9847 9.4218 9.4218 9.4933 9.4933 11.6117 11.6117 13.5993 13.5993 13.8814 13.8814 16.9105 16.9105 k = 0.6408 0.1765-0.8232 ( 3033 PWs) bands (ev): -44.7954 -44.7954 -40.1683 -40.1683 -22.4473 -22.4473 -20.4962 -20.4962 -20.1652 -20.1652 -12.2790 -12.2790 -12.0999 -12.0999 -12.0333 -12.0333 -3.0678 -3.0678 -1.8121 -1.8121 5.0908 5.0908 6.9500 6.9500 7.0753 7.0753 7.9859 7.9859 9.4203 9.4203 9.4975 9.4975 11.6231 11.6231 13.5991 13.5991 13.8738 13.8738 16.8351 16.8351 k = 0.6379 0.1757-0.8047 ( 3034 PWs) bands (ev): -44.7964 -44.7964 -40.1685 -40.1685 -22.4437 -22.4437 -20.4910 -20.4910 -20.1648 -20.1648 -12.2776 -12.2776 -12.0991 -12.0991 -12.0335 -12.0335 -3.0584 -3.0584 -1.8396 -1.8396 5.1262 5.1262 6.9528 6.9528 7.0345 7.0345 7.9793 7.9793 9.4087 9.4087 9.5137 9.5137 11.6357 11.6357 13.5984 13.5984 13.8670 13.8670 16.7565 16.7565 k = 0.6350 0.1749-0.7862 ( 3032 PWs) bands (ev): -44.7975 -44.7975 -40.1687 -40.1687 -22.4399 -22.4399 -20.4853 -20.4853 -20.1644 -20.1644 -12.2761 -12.2761 -12.0983 -12.0983 -12.0337 -12.0337 -3.0484 -3.0484 -1.8694 -1.8694 5.1639 5.1639 6.9555 6.9555 6.9969 6.9969 7.9651 7.9651 9.3914 9.3914 9.5381 9.5381 11.6491 11.6491 13.5971 13.5971 13.8612 13.8612 16.6751 16.6751 k = 0.6322 0.1741-0.7677 ( 3036 PWs) bands (ev): -44.7988 -44.7988 -40.1689 -40.1689 -22.4357 -22.4357 -20.4791 -20.4791 -20.1640 -20.1640 -12.2744 -12.2744 -12.0975 -12.0975 -12.0339 -12.0339 -3.0377 -3.0377 -1.9012 -1.9012 5.2034 5.2034 6.9570 6.9570 6.9638 6.9638 7.9435 7.9435 9.3712 9.3712 9.5675 9.5675 11.6630 11.6630 13.5951 13.5951 13.8567 13.8567 16.5917 16.5917 k = 0.6293 0.1733-0.7492 ( 3038 PWs) bands (ev): -44.8001 -44.8001 -40.1691 -40.1691 -22.4313 -22.4313 -20.4725 -20.4725 -20.1635 -20.1635 -12.2727 -12.2727 -12.0965 -12.0965 -12.0342 -12.0342 -3.0266 -3.0266 -1.9347 -1.9347 5.2443 5.2443 6.9326 6.9326 6.9604 6.9604 7.9152 7.9152 9.3495 9.3495 9.6005 9.6005 11.6771 11.6771 13.5922 13.5922 13.8535 13.8535 16.5070 16.5070 k = 0.6264 0.1725-0.7307 ( 3034 PWs) bands (ev): -44.8015 -44.8015 -40.1693 -40.1693 -22.4266 -22.4266 -20.4654 -20.4654 -20.1629 -20.1629 -12.2708 -12.2708 -12.0955 -12.0955 -12.0344 -12.0344 -3.0152 -3.0152 -1.9697 -1.9697 5.2857 5.2857 6.9077 6.9077 6.9619 6.9619 7.8809 7.8809 9.3274 9.3274 9.6359 9.6359 11.6912 11.6912 13.5883 13.5883 13.8519 13.8519 16.4217 16.4217 k = 0.6235 0.1717-0.7122 ( 3032 PWs) bands (ev): -44.8030 -44.8030 -40.1696 -40.1696 -22.4217 -22.4217 -20.4579 -20.4579 -20.1622 -20.1622 -12.2689 -12.2689 -12.0943 -12.0943 -12.0347 -12.0347 -3.0037 -3.0037 -2.0058 -2.0058 5.3272 5.3272 6.8880 6.8880 6.9627 6.9627 7.8414 7.8414 9.3052 9.3052 9.6726 9.6726 11.7052 11.7052 13.5831 13.5831 13.8519 13.8519 16.3366 16.3366 k = 0.6207 0.1709-0.6937 ( 3021 PWs) bands (ev): -44.8045 -44.8045 -40.1698 -40.1698 -22.4165 -22.4165 -20.4500 -20.4500 -20.1613 -20.1613 -12.2668 -12.2668 -12.0931 -12.0931 -12.0349 -12.0349 -2.9924 -2.9924 -2.0426 -2.0426 5.3679 5.3679 6.8742 6.8742 6.9627 6.9627 7.7976 7.7976 9.2835 9.2835 9.7098 9.7098 11.7190 11.7190 13.5765 13.5765 13.8536 13.8536 16.2522 16.2522 k = 0.6178 0.1701-0.6752 ( 3025 PWs) bands (ev): -44.8061 -44.8061 -40.1701 -40.1701 -22.4112 -22.4112 -20.4418 -20.4418 -20.1604 -20.1604 -12.2647 -12.2647 -12.0919 -12.0919 -12.0351 -12.0351 -2.9815 -2.9815 -2.0797 -2.0797 5.4071 5.4071 6.8666 6.8666 6.9617 6.9617 7.7504 7.7504 9.2628 9.2628 9.7464 9.7464 11.7326 11.7326 13.5682 13.5682 13.8571 13.8571 16.1693 16.1693 k = 0.6149 0.1693-0.6567 ( 3033 PWs) bands (ev): -44.8079 -44.8079 -40.1704 -40.1704 -22.4057 -22.4057 -20.4331 -20.4331 -20.1594 -20.1594 -12.2627 -12.2627 -12.0906 -12.0906 -12.0354 -12.0354 -2.9715 -2.9715 -2.1166 -2.1166 5.4442 5.4442 6.8658 6.8658 6.9595 6.9595 7.7008 7.7008 9.2434 9.2434 9.7816 9.7816 11.7461 11.7461 13.5582 13.5582 13.8623 13.8623 16.0886 16.0886 k = 0.6121 0.1686-0.6381 ( 3027 PWs) bands (ev): -44.8096 -44.8096 -40.1707 -40.1707 -22.4000 -22.4000 -20.4242 -20.4242 -20.1582 -20.1582 -12.2605 -12.2605 -12.0892 -12.0892 -12.0357 -12.0357 -2.9627 -2.9627 -2.1528 -2.1528 5.4784 5.4784 6.8715 6.8715 6.9560 6.9560 7.6500 7.6500 9.2257 9.2257 9.8145 9.8145 11.7595 11.7595 13.5461 13.5461 13.8691 13.8691 16.0107 16.0107 k = 0.6092 0.1678-0.6196 ( 3029 PWs) bands (ev): -44.8114 -44.8114 -40.1710 -40.1710 -22.3942 -22.3942 -20.4150 -20.4150 -20.1568 -20.1568 -12.2583 -12.2583 -12.0877 -12.0877 -12.0359 -12.0359 -2.9557 -2.9557 -2.1877 -2.1877 5.5094 5.5094 6.8834 6.8834 6.9511 6.9511 7.5993 7.5993 9.2101 9.2101 9.8442 9.8442 11.7730 11.7730 13.5319 13.5319 13.8776 13.8776 15.9363 15.9363 k = 0.6063 0.1670-0.6011 ( 3027 PWs) bands (ev): -44.8133 -44.8133 -40.1713 -40.1713 -22.3882 -22.3882 -20.4056 -20.4056 -20.1553 -20.1553 -12.2560 -12.2560 -12.0862 -12.0862 -12.0362 -12.0362 -2.9510 -2.9510 -2.2206 -2.2206 5.5369 5.5369 6.9002 6.9002 6.9452 6.9452 7.5506 7.5506 9.1969 9.1969 9.8699 9.8699 11.7866 11.7866 13.5154 13.5154 13.8876 13.8876 15.8659 15.8659 k = 0.6034 0.1662-0.5826 ( 3027 PWs) bands (ev): -44.8152 -44.8152 -40.1717 -40.1717 -22.3822 -22.3822 -20.3959 -20.3959 -20.1535 -20.1535 -12.2538 -12.2538 -12.0846 -12.0846 -12.0364 -12.0364 -2.9493 -2.9493 -2.2508 -2.2508 5.5607 5.5607 6.9174 6.9174 6.9402 6.9402 7.5063 7.5063 9.1864 9.1864 9.8910 9.8910 11.8006 11.8006 13.4965 13.4965 13.8989 13.8989 15.8003 15.8003 k = 0.6006 0.1654-0.5641 ( 3024 PWs) bands (ev): -44.8172 -44.8172 -40.1720 -40.1720 -22.3761 -22.3761 -20.3862 -20.3862 -20.1515 -20.1515 -12.2515 -12.2515 -12.0829 -12.0829 -12.0365 -12.0365 -2.9512 -2.9512 -2.2775 -2.2775 5.5809 5.5809 6.9196 6.9196 6.9483 6.9483 7.4701 7.4701 9.1790 9.1790 9.9068 9.9068 11.8150 11.8150 13.4749 13.4749 13.9113 13.9113 15.7400 15.7400 k = 0.5977 0.1646-0.5456 ( 3023 PWs) bands (ev): -44.8192 -44.8192 -40.1723 -40.1723 -22.3700 -22.3700 -20.3763 -20.3763 -20.1493 -20.1493 -12.2493 -12.2493 -12.0812 -12.0812 -12.0367 -12.0367 -2.9573 -2.9573 -2.3000 -2.3000 5.5979 5.5979 6.9092 6.9092 6.9616 6.9616 7.4471 7.4471 9.1748 9.1748 9.9167 9.9167 11.8299 11.8299 13.4506 13.4506 13.9246 13.9246 15.6855 15.6855 k = 0.5948 0.1638-0.5271 ( 3014 PWs) bands (ev): -44.8212 -44.8212 -40.1727 -40.1727 -22.3638 -22.3638 -20.3664 -20.3664 -20.1468 -20.1468 -12.2470 -12.2470 -12.0794 -12.0794 -12.0368 -12.0368 -2.9682 -2.9682 -2.3177 -2.3177 5.6121 5.6121 6.8953 6.8953 6.9653 6.9653 7.4432 7.4432 9.1741 9.1741 9.9204 9.9204 11.8453 11.8453 13.4236 13.4236 13.9384 13.9384 15.6374 15.6374 k = 0.5919 0.1630-0.5086 ( 3016 PWs) bands (ev): -44.8232 -44.8232 -40.1730 -40.1730 -22.3576 -22.3576 -20.3565 -20.3565 -20.1440 -20.1440 -12.2449 -12.2449 -12.0776 -12.0776 -12.0369 -12.0369 -2.9839 -2.9839 -2.3304 -2.3304 5.6240 5.6240 6.8789 6.8789 6.9542 6.9542 7.4621 7.4621 9.1769 9.1769 9.9176 9.9176 11.8612 11.8612 13.3937 13.3937 13.9526 13.9526 15.5962 15.5962 k = 0.5891 0.1622-0.4901 ( 3020 PWs) bands (ev): -44.8253 -44.8253 -40.1734 -40.1734 -22.3515 -22.3515 -20.3468 -20.3468 -20.1408 -20.1408 -12.2428 -12.2428 -12.0757 -12.0757 -12.0370 -12.0370 -3.0046 -3.0046 -2.3380 -2.3380 5.6342 5.6342 6.8602 6.8602 6.9284 6.9284 7.5030 7.5030 9.1835 9.1835 9.9080 9.9080 11.8776 11.8776 13.3610 13.3610 13.9668 13.9668 15.5624 15.5624 k = 0.5862 0.1614-0.4716 ( 3020 PWs) bands (ev): -44.8274 -44.8274 -40.1737 -40.1737 -22.3454 -22.3454 -20.3371 -20.3371 -20.1373 -20.1373 -12.2407 -12.2407 -12.0739 -12.0739 -12.0370 -12.0370 -3.0300 -3.0300 -2.3406 -2.3406 5.6432 5.6432 6.8390 6.8390 6.8917 6.8917 7.5622 7.5622 9.1937 9.1937 9.8917 9.8917 11.8941 11.8941 13.3253 13.3253 13.9806 13.9806 15.5362 15.5362 k = 0.5833 0.1606-0.4531 ( 3017 PWs) bands (ev): -44.8295 -44.8295 -40.1741 -40.1741 -22.3393 -22.3393 -20.3277 -20.3277 -20.1334 -20.1334 -12.2387 -12.2387 -12.0719 -12.0719 -12.0370 -12.0370 -3.0594 -3.0594 -2.3389 -2.3389 5.6516 5.6516 6.8142 6.8142 6.8492 6.8492 7.6351 7.6351 9.2078 9.2078 9.8687 9.8687 11.9108 11.9108 13.2867 13.2867 13.9939 13.9939 15.5181 15.5181 k = 0.5804 0.1599-0.4346 ( 3017 PWs) bands (ev): -44.8316 -44.8316 -40.1744 -40.1744 -22.3333 -22.3333 -20.3186 -20.3186 -20.1290 -20.1290 -12.2368 -12.2368 -12.0700 -12.0700 -12.0369 -12.0369 -3.0923 -3.0923 -2.3332 -2.3332 5.6599 5.6599 6.7808 6.7808 6.8092 6.8092 7.7183 7.7183 9.2256 9.2256 9.8391 9.8391 11.9272 11.9272 13.2453 13.2453 14.0062 14.0062 15.5081 15.5081 k = 0.5776 0.1591-0.4161 ( 3023 PWs) bands (ev): -44.8337 -44.8337 -40.1748 -40.1748 -22.3274 -22.3274 -20.3098 -20.3098 -20.1242 -20.1242 -12.2349 -12.2349 -12.0681 -12.0681 -12.0368 -12.0368 -3.1279 -3.1279 -2.3243 -2.3243 5.6684 5.6684 6.7348 6.7348 6.7779 6.7779 7.8094 7.8094 9.2470 9.2470 9.8033 9.8033 11.9432 11.9432 13.2009 13.2009 14.0174 14.0174 15.5065 15.5065 k = 0.5747 0.1583-0.3976 ( 3023 PWs) bands (ev): -44.8357 -44.8357 -40.1751 -40.1751 -22.3216 -22.3216 -20.3014 -20.3014 -20.1189 -20.1189 -12.2331 -12.2331 -12.0662 -12.0662 -12.0366 -12.0366 -3.1658 -3.1658 -2.3128 -2.3128 5.6776 5.6776 6.6832 6.6832 6.7497 6.7497 7.9066 7.9066 9.2721 9.2721 9.7617 9.7617 11.9585 11.9585 13.1538 13.1538 14.0273 14.0273 15.5132 15.5132 k = 0.5718 0.1575-0.3791 ( 3023 PWs) bands (ev): -44.8378 -44.8378 -40.1755 -40.1755 -22.3159 -22.3159 -20.2935 -20.2935 -20.1132 -20.1132 -12.2314 -12.2314 -12.0643 -12.0643 -12.0363 -12.0363 -3.2051 -3.2051 -2.2992 -2.2992 5.6877 5.6877 6.6301 6.6301 6.7215 6.7215 8.0088 8.0088 9.3006 9.3006 9.7146 9.7146 11.9728 11.9728 13.1040 13.1040 14.0357 14.0357 15.5279 15.5279 k = 0.5690 0.1567-0.3606 ( 3024 PWs) bands (ev): -44.8398 -44.8398 -40.1758 -40.1758 -22.3104 -22.3104 -20.2861 -20.2861 -20.1070 -20.1070 -12.2298 -12.2298 -12.0625 -12.0625 -12.0359 -12.0359 -3.2455 -3.2455 -2.2839 -2.2839 5.6990 5.6990 6.5770 6.5770 6.6930 6.6930 8.1149 8.1149 9.3323 9.3323 9.6626 9.6626 11.9859 11.9859 13.0516 13.0516 14.0425 14.0425 15.5505 15.5505 k = 0.5661 0.1559-0.3421 ( 3024 PWs) bands (ev): -44.8418 -44.8418 -40.1762 -40.1762 -22.3050 -22.3050 -20.2791 -20.2791 -20.1004 -20.1004 -12.2282 -12.2282 -12.0608 -12.0608 -12.0354 -12.0354 -3.2864 -3.2864 -2.2675 -2.2675 5.7116 5.7116 6.5245 6.5245 6.6639 6.6639 8.2240 8.2240 9.3671 9.3671 9.6063 9.6063 11.9975 11.9975 12.9968 12.9968 14.0477 14.0477 15.5806 15.5806 k = 0.5632 0.1551-0.3236 ( 3024 PWs) bands (ev): -44.8437 -44.8437 -40.1765 -40.1765 -22.2998 -22.2998 -20.2727 -20.2727 -20.0933 -20.0933 -12.2268 -12.2268 -12.0591 -12.0591 -12.0349 -12.0349 -3.3275 -3.3275 -2.2501 -2.2501 5.7258 5.7258 6.4730 6.4730 6.6346 6.6346 8.3356 8.3356 9.4042 9.4042 9.5467 9.5467 12.0075 12.0075 12.9396 12.9396 14.0514 14.0514 15.6176 15.6176 k = 0.5603 0.1543-0.3051 ( 3027 PWs) bands (ev): -44.8456 -44.8456 -40.1768 -40.1768 -22.2947 -22.2947 -20.2668 -20.2668 -20.0859 -20.0859 -12.2254 -12.2254 -12.0575 -12.0575 -12.0342 -12.0342 -3.3684 -3.3684 -2.2323 -2.2323 5.7417 5.7417 6.4228 6.4228 6.6051 6.6051 8.4490 8.4490 9.4394 9.4394 9.4886 9.4886 12.0156 12.0156 12.8803 12.8803 14.0535 14.0535 15.6611 15.6611 k = 0.5575 0.1535-0.2866 ( 3027 PWs) bands (ev): -44.8475 -44.8475 -40.1772 -40.1772 -22.2898 -22.2898 -20.2614 -20.2614 -20.0782 -20.0782 -12.2242 -12.2242 -12.0560 -12.0560 -12.0334 -12.0334 -3.4088 -3.4088 -2.2141 -2.2141 5.7593 5.7593 6.3743 6.3743 6.5756 6.5756 8.5632 8.5632 9.4099 9.4099 9.4955 9.4955 12.0216 12.0216 12.8189 12.8189 14.0542 14.0542 15.7103 15.7103 k = 0.5546 0.1527-0.2681 ( 3027 PWs) bands (ev): -44.8493 -44.8493 -40.1775 -40.1775 -22.2852 -22.2852 -20.2565 -20.2565 -20.0703 -20.0703 -12.2230 -12.2230 -12.0547 -12.0547 -12.0325 -12.0325 -3.4485 -3.4485 -2.1958 -2.1958 5.7786 5.7786 6.3275 6.3275 6.5463 6.5463 8.6774 8.6774 9.3447 9.3447 9.5392 9.5392 12.0253 12.0253 12.7558 12.7558 14.0535 14.0535 15.7647 15.7647 k = 0.5517 0.1519-0.2496 ( 3031 PWs) bands (ev): -44.8511 -44.8511 -40.1778 -40.1778 -22.2807 -22.2807 -20.2521 -20.2521 -20.0622 -20.0622 -12.2219 -12.2219 -12.0535 -12.0535 -12.0314 -12.0314 -3.4873 -3.4873 -2.1776 -2.1776 5.7995 5.7995 6.2826 6.2826 6.5175 6.5175 8.7896 8.7896 9.2784 9.2784 9.5868 9.5868 12.0267 12.0267 12.6912 12.6912 14.0515 14.0515 15.8236 15.8236 k = 0.5488 0.1511-0.2311 ( 3034 PWs) bands (ev): -44.8528 -44.8528 -40.1781 -40.1781 -22.2764 -22.2764 -20.2481 -20.2481 -20.0541 -20.0541 -12.2209 -12.2209 -12.0524 -12.0524 -12.0304 -12.0304 -3.5249 -3.5249 -2.1597 -2.1597 5.8221 5.8221 6.2398 6.2398 6.4892 6.4892 8.8946 8.8946 9.2177 9.2177 9.6368 9.6368 12.0256 12.0256 12.6252 12.6252 14.0485 14.0485 15.8861 15.8861 k = 0.5460 0.1504-0.2125 ( 3034 PWs) bands (ev): -44.8544 -44.8544 -40.1783 -40.1783 -22.2724 -22.2724 -20.2444 -20.2444 -20.0459 -20.0459 -12.2200 -12.2200 -12.0515 -12.0515 -12.0292 -12.0292 -3.5611 -3.5611 -2.1423 -2.1423 5.8462 5.8462 6.1992 6.1992 6.4617 6.4617 8.9725 8.9725 9.1829 9.1829 9.6887 9.6887 12.0219 12.0219 12.5581 12.5581 14.0445 14.0445 15.9516 15.9516 k = 0.5431 0.1496-0.1940 ( 3034 PWs) bands (ev): -44.8559 -44.8559 -40.1786 -40.1786 -22.2685 -22.2685 -20.2412 -20.2412 -20.0378 -20.0378 -12.2191 -12.2191 -12.0506 -12.0506 -12.0279 -12.0279 -3.5959 -3.5959 -2.1253 -2.1253 5.8716 5.8716 6.1610 6.1610 6.4351 6.4351 8.9769 8.9769 9.2206 9.2206 9.7421 9.7421 12.0154 12.0154 12.4903 12.4903 14.0396 14.0396 16.0193 16.0193 k = 0.5402 0.1488-0.1755 ( 3032 PWs) bands (ev): -44.8574 -44.8574 -40.1789 -40.1789 -22.2649 -22.2649 -20.2383 -20.2383 -20.0299 -20.0299 -12.2183 -12.2183 -12.0499 -12.0499 -12.0266 -12.0266 -3.6290 -3.6290 -2.1090 -2.1090 5.8978 5.8978 6.1255 6.1255 6.4095 6.4095 8.9263 8.9263 9.3124 9.3124 9.7967 9.7967 12.0061 12.0061 12.4220 12.4220 14.0340 14.0340 16.0885 16.0885 k = 0.5374 0.1480-0.1570 ( 3032 PWs) bands (ev): -44.8588 -44.8588 -40.1791 -40.1791 -22.2615 -22.2615 -20.2357 -20.2357 -20.0222 -20.0222 -12.2176 -12.2176 -12.0493 -12.0493 -12.0253 -12.0253 -3.6603 -3.6603 -2.0935 -2.0935 5.9243 5.9243 6.0931 6.0931 6.3852 6.3852 8.8608 8.8608 9.4182 9.4182 9.8523 9.8523 11.9940 11.9940 12.3536 12.3536 14.0278 14.0278 16.1582 16.1582 k = 0.5345 0.1472-0.1385 ( 3028 PWs) bands (ev): -44.8601 -44.8601 -40.1793 -40.1793 -22.2584 -22.2584 -20.2333 -20.2333 -20.0148 -20.0148 -12.2170 -12.2170 -12.0487 -12.0487 -12.0239 -12.0239 -3.6898 -3.6898 -2.0788 -2.0788 5.9496 5.9496 6.0652 6.0652 6.3622 6.3622 8.7919 8.7919 9.5267 9.5267 9.9084 9.9084 11.9790 11.9790 12.2855 12.2855 14.0213 14.0213 16.2277 16.2277 k = 0.5316 0.1464-0.1200 ( 3030 PWs) bands (ev): -44.8613 -44.8613 -40.1795 -40.1795 -22.2555 -22.2555 -20.2312 -20.2312 -20.0078 -20.0078 -12.2164 -12.2164 -12.0482 -12.0482 -12.0227 -12.0227 -3.7173 -3.7173 -2.0650 -2.0650 5.9691 5.9691 6.0459 6.0459 6.3406 6.3406 8.7229 8.7229 9.6345 9.6345 9.9646 9.9646 11.9612 11.9612 12.2181 12.2181 14.0145 14.0145 16.2961 16.2961 k = 0.5287 0.1456-0.1015 ( 3028 PWs) bands (ev): -44.8624 -44.8624 -40.1797 -40.1797 -22.2529 -22.2529 -20.2294 -20.2294 -20.0012 -20.0012 -12.2159 -12.2159 -12.0478 -12.0478 -12.0215 -12.0215 -3.7427 -3.7427 -2.0522 -2.0522 5.9722 5.9722 6.0456 6.0456 6.3207 6.3207 8.6556 8.6556 9.7398 9.7398 10.0205 10.0205 11.9407 11.9407 12.1518 12.1518 14.0076 14.0076 16.3622 16.3623 k = 0.5259 0.1448-0.0830 ( 3020 PWs) bands (ev): -44.8634 -44.8634 -40.1799 -40.1799 -22.2505 -22.2505 -20.2278 -20.2278 -19.9950 -19.9950 -12.2154 -12.2154 -12.0474 -12.0474 -12.0203 -12.0203 -3.7659 -3.7659 -2.0404 -2.0404 5.9590 5.9590 6.0637 6.0637 6.3024 6.3024 8.5910 8.5910 9.8415 9.8415 10.0756 10.0756 11.9179 11.9179 12.0874 12.0874 14.0009 14.0009 16.4253 16.4253 k = 0.5230 0.1440-0.0645 ( 3018 PWs) bands (ev): -44.8643 -44.8643 -40.1800 -40.1800 -22.2483 -22.2483 -20.2264 -20.2264 -19.9894 -19.9894 -12.2150 -12.2150 -12.0471 -12.0471 -12.0192 -12.0192 -3.7869 -3.7869 -2.0298 -2.0298 5.9413 5.9413 6.0881 6.0881 6.2859 6.2859 8.5300 8.5300 9.9383 9.9383 10.1293 10.1293 11.8931 11.8931 12.0255 12.0255 13.9943 13.9943 16.4843 16.4843 k = 0.5201 0.1432-0.0460 ( 3014 PWs) bands (ev): -44.8651 -44.8651 -40.1802 -40.1802 -22.2464 -22.2464 -20.2251 -20.2251 -19.9843 -19.9843 -12.2147 -12.2147 -12.0468 -12.0468 -12.0182 -12.0182 -3.8055 -3.8055 -2.0203 -2.0203 5.9238 5.9238 6.1134 6.1134 6.2713 6.2713 8.4735 8.4735 10.0291 10.0291 10.1809 10.1809 11.8670 11.8670 11.9668 11.9668 13.9882 13.9882 16.5381 16.5381 k = 0.5172 0.1424-0.0275 ( 3012 PWs) bands (ev): -44.8658 -44.8658 -40.1803 -40.1803 -22.2447 -22.2447 -20.2241 -20.2241 -19.9798 -19.9798 -12.2144 -12.2144 -12.0466 -12.0466 -12.0173 -12.0173 -3.8218 -3.8218 -2.0120 -2.0120 5.9080 5.9080 6.1374 6.1374 6.2587 6.2587 8.4224 8.4224 10.1124 10.1124 10.2295 10.2295 11.8401 11.8401 11.9124 11.9124 13.9826 13.9826 16.5859 16.5859 k = 0.5144 0.1417-0.0090 ( 3013 PWs) bands (ev): -44.8664 -44.8664 -40.1804 -40.1804 -22.2433 -22.2433 -20.2232 -20.2232 -19.9760 -19.9760 -12.2141 -12.2141 -12.0464 -12.0464 -12.0165 -12.0165 -3.8357 -3.8357 -2.0049 -2.0049 5.8943 5.8943 6.1592 6.1592 6.2484 6.2484 8.3774 8.3774 10.1865 10.1865 10.2745 10.2745 11.8137 11.8137 11.8633 11.8633 13.9776 13.9776 16.6270 16.6270 k = 0.5115 0.1409 0.0095 ( 3013 PWs) bands (ev): -44.8669 -44.8669 -40.1805 -40.1805 -22.2422 -22.2422 -20.2225 -20.2225 -19.9728 -19.9728 -12.2139 -12.2139 -12.0463 -12.0463 -12.0159 -12.0159 -3.8471 -3.8471 -1.9990 -1.9990 5.8829 5.8829 6.1774 6.1774 6.2407 6.2407 8.3393 8.3393 10.2495 10.2495 10.3151 10.3151 11.7887 11.7887 11.8209 11.8209 13.9734 13.9734 16.6608 16.6608 k = 0.5086 0.1401 0.0280 ( 3011 PWs) bands (ev): -44.8673 -44.8673 -40.1805 -40.1805 -22.2413 -22.2413 -20.2220 -20.2220 -19.9703 -19.9703 -12.2138 -12.2138 -12.0462 -12.0462 -12.0154 -12.0154 -3.8560 -3.8560 -1.9945 -1.9945 5.8740 5.8740 6.1910 6.1910 6.2359 6.2359 8.3088 8.3088 10.2992 10.2992 10.3504 10.3504 11.7663 11.7663 11.7867 11.7867 13.9700 13.9700 16.6871 16.6871 k = 0.5057 0.1393 0.0465 ( 3009 PWs) bands (ev): -44.8676 -44.8676 -40.1806 -40.1806 -22.2406 -22.2406 -20.2216 -20.2216 -19.9685 -19.9685 -12.2137 -12.2137 -12.0461 -12.0461 -12.0150 -12.0150 -3.8624 -3.8624 -1.9912 -1.9912 5.8676 5.8676 6.1992 6.1992 6.2345 6.2345 8.2865 8.2865 10.3340 10.3340 10.3789 10.3789 11.7477 11.7477 11.7623 11.7623 13.9676 13.9676 16.7058 16.7058 k = 0.5029 0.1385 0.0650 ( 3013 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2403 -22.2403 -20.2214 -20.2214 -19.9675 -19.9675 -12.2136 -12.2136 -12.0461 -12.0461 -12.0149 -12.0149 -3.8663 -3.8663 -1.9892 -1.9892 5.8637 5.8637 6.2027 6.2027 6.2353 6.2353 8.2729 8.2729 10.3542 10.3542 10.3980 10.3980 11.7347 11.7347 11.7483 11.7483 13.9661 13.9661 16.7170 16.7170 k = 0.5000 0.1377 0.0835 ( 3010 PWs) bands (ev): -44.8678 -44.8678 -40.1806 -40.1806 -22.2401 -22.2401 -20.2213 -20.2213 -19.9671 -19.9671 -12.2136 -12.2136 -12.0460 -12.0460 -12.0148 -12.0148 -3.8675 -3.8675 -1.9886 -1.9886 5.8625 5.8625 6.2035 6.2035 6.2359 6.2359 8.2684 8.2684 10.3608 10.3608 10.4047 10.4047 11.7301 11.7301 11.7438 11.7438 13.9656 13.9656 16.7207 16.7207 k = 0.5000-0.8389-0.5089 ( 3014 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5185 -20.5185 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0953 -3.0953 -1.7070 -1.7070 5.0807 5.0807 6.9293 6.9293 7.3210 7.3210 7.7206 7.7206 9.1662 9.1662 9.5616 9.5616 11.9065 11.9065 13.5970 13.5970 13.9436 13.9436 17.5080 17.5080 k = 0.5166-0.8317-0.5045 ( 3018 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5185 -20.5185 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0953 -3.0953 -1.7070 -1.7070 5.0801 5.0801 6.9293 6.9293 7.3208 7.3208 7.7217 7.7217 9.1669 9.1669 9.5615 9.5615 11.9052 11.9052 13.5970 13.5970 13.9435 13.9435 17.5052 17.5052 k = 0.5333-0.8244-0.5001 ( 3018 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4628 -22.4628 -20.5184 -20.5184 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0955 -3.0955 -1.7069 -1.7069 5.0782 5.0782 6.9294 6.9294 7.3204 7.3204 7.7249 7.7249 9.1692 9.1692 9.5612 9.5612 11.9012 11.9012 13.5970 13.5970 13.9432 13.9432 17.4968 17.4968 k = 0.5499-0.8172-0.4957 ( 3022 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4627 -22.4627 -20.5184 -20.5184 -20.1662 -20.1662 -12.2866 -12.2866 -12.1037 -12.1037 -12.0333 -12.0333 -3.0957 -3.0957 -1.7067 -1.7067 5.0752 5.0752 6.9295 6.9295 7.3197 7.3197 7.7302 7.7302 9.1729 9.1729 9.5608 9.5608 11.8946 11.8946 13.5970 13.5970 13.9427 13.9427 17.4835 17.4835 k = 0.5665-0.8100-0.4913 ( 3026 PWs) bands (ev): -44.7908 -44.7908 -40.1675 -40.1675 -22.4627 -22.4627 -20.5184 -20.5184 -20.1662 -20.1662 -12.2865 -12.2865 -12.1037 -12.1037 -12.0333 -12.0333 -3.0961 -3.0961 -1.7064 -1.7064 5.0710 5.0710 6.9297 6.9297 7.3189 7.3189 7.7372 7.7372 9.1781 9.1781 9.5602 9.5602 11.8854 11.8854 13.5970 13.5970 13.9420 13.9420 17.4661 17.4661 k = 0.5832-0.8027-0.4869 ( 3029 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4627 -22.4627 -20.5183 -20.5183 -20.1662 -20.1662 -12.2865 -12.2865 -12.1036 -12.1036 -12.0333 -12.0333 -3.0965 -3.0965 -1.7060 -1.7060 5.0657 5.0657 6.9299 6.9299 7.3181 7.3181 7.7458 7.7458 9.1847 9.1847 9.5594 9.5594 11.8738 11.8738 13.5970 13.5970 13.9412 13.9412 17.4455 17.4455 k = 0.5998-0.7955-0.4825 ( 3031 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4626 -22.4626 -20.5183 -20.5183 -20.1662 -20.1662 -12.2864 -12.2864 -12.1036 -12.1036 -12.0333 -12.0333 -3.0970 -3.0970 -1.7056 -1.7056 5.0595 5.0595 6.9301 6.9301 7.3175 7.3175 7.7557 7.7557 9.1927 9.1927 9.5585 9.5585 11.8600 11.8600 13.5970 13.5970 13.9402 13.9402 17.4227 17.4227 k = 0.6164-0.7882-0.4781 ( 3031 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4626 -22.4626 -20.5182 -20.5182 -20.1662 -20.1662 -12.2863 -12.2863 -12.1036 -12.1036 -12.0332 -12.0332 -3.0976 -3.0976 -1.7052 -1.7052 5.0524 5.0524 6.9304 6.9304 7.3171 7.3171 7.7667 7.7667 9.2021 9.2021 9.5574 9.5574 11.8441 11.8441 13.5971 13.5971 13.9391 13.9391 17.3987 17.3987 k = 0.6331-0.7810-0.4737 ( 3029 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4625 -22.4625 -20.5181 -20.5181 -20.1662 -20.1662 -12.2862 -12.2862 -12.1035 -12.1035 -12.0332 -12.0332 -3.0982 -3.0982 -1.7047 -1.7047 5.0446 5.0446 6.9308 6.9308 7.3170 7.3170 7.7782 7.7782 9.2128 9.2128 9.5563 9.5563 11.8262 11.8262 13.5971 13.5971 13.9379 13.9379 17.3743 17.3743 k = 0.6497-0.7737-0.4693 ( 3026 PWs) bands (ev): -44.7909 -44.7909 -40.1675 -40.1675 -22.4624 -22.4624 -20.5180 -20.5180 -20.1662 -20.1662 -12.2861 -12.2861 -12.1034 -12.1034 -12.0331 -12.0331 -3.0988 -3.0988 -1.7043 -1.7043 5.0362 5.0362 6.9311 6.9311 7.3175 7.3175 7.7902 7.7902 9.2246 9.2246 9.5550 9.5550 11.8067 11.8067 13.5971 13.5971 13.9366 13.9366 17.3502 17.3502 k = 0.6663-0.7665-0.4649 ( 3027 PWs) bands (ev): -44.7910 -44.7910 -40.1675 -40.1675 -22.4623 -22.4623 -20.5179 -20.5179 -20.1662 -20.1662 -12.2860 -12.2860 -12.1033 -12.1033 -12.0330 -12.0330 -3.0995 -3.0995 -1.7039 -1.7039 5.0273 5.0273 6.9315 6.9315 7.3185 7.3185 7.8022 7.8022 9.2375 9.2375 9.5536 9.5536 11.7857 11.7857 13.5971 13.5971 13.9352 13.9352 17.3272 17.3272 k = 0.6830-0.7592-0.4605 ( 3028 PWs) bands (ev): -44.7910 -44.7910 -40.1675 -40.1675 -22.4622 -22.4622 -20.5177 -20.5177 -20.1662 -20.1662 -12.2858 -12.2858 -12.1033 -12.1033 -12.0330 -12.0330 -3.1002 -3.1002 -1.7035 -1.7035 5.0180 5.0180 6.9320 6.9320 7.3201 7.3201 7.8141 7.8141 9.2514 9.2514 9.5521 9.5521 11.7636 11.7636 13.5971 13.5971 13.9338 13.9338 17.3056 17.3056 k = 0.6996-0.7520-0.4561 ( 3031 PWs) bands (ev): -44.7910 -44.7910 -40.1676 -40.1676 -22.4621 -22.4621 -20.5176 -20.5176 -20.1662 -20.1662 -12.2857 -12.2857 -12.1032 -12.1032 -12.0329 -12.0329 -3.1008 -3.1008 -1.7032 -1.7032 5.0086 5.0086 6.9324 6.9324 7.3223 7.3223 7.8254 7.8254 9.2661 9.2661 9.5505 9.5505 11.7406 11.7406 13.5972 13.5972 13.9323 13.9323 17.2859 17.2859 k = 0.7162-0.7447-0.4517 ( 3032 PWs) bands (ev): -44.7911 -44.7911 -40.1676 -40.1676 -22.4620 -22.4620 -20.5174 -20.5174 -20.1662 -20.1662 -12.2856 -12.2856 -12.1031 -12.1031 -12.0328 -12.0328 -3.1014 -3.1014 -1.7030 -1.7030 4.9993 4.9993 6.9329 6.9329 7.3253 7.3253 7.8360 7.8360 9.2814 9.2814 9.5489 9.5489 11.7171 11.7171 13.5972 13.5972 13.9309 13.9309 17.2684 17.2684 k = 0.7329-0.7375-0.4473 ( 3036 PWs) bands (ev): -44.7911 -44.7911 -40.1676 -40.1676 -22.4619 -22.4619 -20.5173 -20.5173 -20.1662 -20.1662 -12.2854 -12.2854 -12.1031 -12.1031 -12.0328 -12.0328 -3.1020 -3.1020 -1.7030 -1.7030 4.9900 4.9900 6.9334 6.9334 7.3289 7.3289 7.8456 7.8456 9.2971 9.2971 9.5473 9.5473 11.6934 11.6934 13.5972 13.5972 13.9294 13.9294 17.2534 17.2534 k = 0.7495-0.7302-0.4429 ( 3039 PWs) bands (ev): -44.7912 -44.7912 -40.1676 -40.1676 -22.4618 -22.4618 -20.5171 -20.5171 -20.1662 -20.1662 -12.2853 -12.2853 -12.1030 -12.1030 -12.0327 -12.0327 -3.1025 -3.1025 -1.7030 -1.7030 4.9810 4.9810 6.9339 6.9339 7.3332 7.3332 7.8541 7.8541 9.3130 9.3130 9.5456 9.5456 11.6699 11.6699 13.5972 13.5972 13.9281 13.9281 17.2411 17.2411 k = 0.7661-0.7230-0.4385 ( 3041 PWs) bands (ev): -44.7912 -44.7912 -40.1676 -40.1676 -22.4616 -22.4616 -20.5169 -20.5169 -20.1662 -20.1662 -12.2851 -12.2851 -12.1029 -12.1029 -12.0327 -12.0327 -3.1030 -3.1030 -1.7033 -1.7033 4.9724 4.9724 6.9345 6.9345 7.3381 7.3381 7.8613 7.8613 9.3288 9.3288 9.5440 9.5440 11.6469 11.6469 13.5972 13.5972 13.9268 13.9268 17.2314 17.2314 k = 0.7828-0.7157-0.4341 ( 3037 PWs) bands (ev): -44.7913 -44.7913 -40.1676 -40.1676 -22.4615 -22.4615 -20.5166 -20.5166 -20.1662 -20.1662 -12.2850 -12.2850 -12.1028 -12.1028 -12.0326 -12.0326 -3.1033 -3.1033 -1.7037 -1.7037 4.9644 4.9644 6.9350 6.9350 7.3436 7.3436 7.8671 7.8671 9.3443 9.3443 9.5424 9.5424 11.6247 11.6247 13.5972 13.5972 13.9257 13.9257 17.2246 17.2246 k = 0.7994-0.7085-0.4297 ( 3040 PWs) bands (ev): -44.7913 -44.7913 -40.1676 -40.1676 -22.4613 -22.4613 -20.5164 -20.5164 -20.1662 -20.1662 -12.2848 -12.2848 -12.1028 -12.1028 -12.0325 -12.0325 -3.1035 -3.1035 -1.7044 -1.7044 4.9571 4.9571 6.9355 6.9355 7.3497 7.3497 7.8713 7.8713 9.3591 9.3591 9.5409 9.5409 11.6038 11.6038 13.5972 13.5972 13.9246 13.9246 17.2207 17.2207 k = 0.8160-0.7012-0.4253 ( 3032 PWs) bands (ev): -44.7914 -44.7914 -40.1676 -40.1676 -22.4611 -22.4611 -20.5162 -20.5162 -20.1662 -20.1662 -12.2846 -12.2846 -12.1026 -12.1026 -12.0324 -12.0324 -3.1037 -3.1037 -1.7053 -1.7053 4.9505 4.9505 6.9361 6.9361 7.3563 7.3563 7.8739 7.8739 9.3731 9.3731 9.5395 9.5395 11.5845 11.5845 13.5973 13.5973 13.9237 13.9237 17.2197 17.2197 Writing output data file NaNbN2.save init_run : 0.26s CPU 0.41s WALL ( 1 calls) electrons : 135.23s CPU 137.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 135.23s CPU 137.01s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 382 calls) cegterg : 119.14s CPU 120.30s WALL ( 454 calls) Called by sum_band: Called by *egterg: h_psi : 96.84s CPU 98.24s WALL ( 7011 calls) s_psi : 1.34s CPU 1.36s WALL ( 7011 calls) g_psi : 0.09s CPU 0.12s WALL ( 6175 calls) cdiaghg : 28.08s CPU 28.05s WALL ( 6557 calls) cegterg:over : 2.55s CPU 2.55s WALL ( 6175 calls) cegterg:upda : 1.75s CPU 1.84s WALL ( 6175 calls) cegterg:last : 1.37s CPU 1.31s WALL ( 1208 calls) cdiaghg:chol : 1.51s CPU 1.51s WALL ( 6557 calls) cdiaghg:inve : 0.64s CPU 0.68s WALL ( 6557 calls) cdiaghg:para : 1.81s CPU 1.70s WALL ( 13114 calls) Called by h_psi: h_psi:vloc : 93.14s CPU 94.55s WALL ( 7011 calls) h_psi:vnl : 3.60s CPU 3.58s WALL ( 7011 calls) add_vuspsi : 1.70s CPU 1.71s WALL ( 7011 calls) General routines calbec : 1.87s CPU 1.86s WALL ( 7011 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 87.33s CPU 88.67s WALL ( 576688 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.15s WALL ( 764 calls) Parallel routines fft_scatter : 21.38s CPU 22.02s WALL ( 576711 calls) PWSCF : 2m28.48s CPU 2m54.72s WALL This run was terminated on: 21: 4: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=