Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:27 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: ./NaVSe2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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 132 54 15 4321 1140 177 Max 133 55 16 4324 1165 180 Sum 4779 1979 569 155613 41557 6421 bravais-lattice index = 14 lattice parameter (alat) = 13.6244 a.u. unit-cell volume = 560.8875 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.624372 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.865811 celldm(5)= 0.865811 celldm(6)= 0.865811 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.865811 0.500371 0.000000 ) a(3) = ( 0.865811 0.232192 0.443235 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.730340 -1.046938 ) b(2) = ( 0.000000 1.998519 -1.046938 ) b(3) = ( 0.000000 0.000000 2.256138 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Na 9.00 22.98980 Na( 1.00) V 13.00 50.94150 V( 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= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0100000 -0.0173034 -0.0104694), wk = 0.0030960 k( 3) = ( 0.0200000 -0.0346068 -0.0209388), wk = 0.0030960 k( 4) = ( 0.0300000 -0.0519102 -0.0314082), wk = 0.0030960 k( 5) = ( 0.0400000 -0.0692136 -0.0418775), wk = 0.0030960 k( 6) = ( 0.0500000 -0.0865170 -0.0523469), wk = 0.0030960 k( 7) = ( 0.0600000 -0.1038204 -0.0628163), wk = 0.0030960 k( 8) = ( 0.0700000 -0.1211238 -0.0732857), wk = 0.0030960 k( 9) = ( 0.0800000 -0.1384272 -0.0837551), wk = 0.0030960 k( 10) = ( 0.0900000 -0.1557306 -0.0942245), wk = 0.0030960 k( 11) = ( 0.1000000 -0.1730340 -0.1046938), wk = 0.0030960 k( 12) = ( 0.1100000 -0.1903374 -0.1151632), wk = 0.0030960 k( 13) = ( 0.1200000 -0.2076408 -0.1256326), wk = 0.0030960 k( 14) = ( 0.1300000 -0.2249442 -0.1361020), wk = 0.0030960 k( 15) = ( 0.1400000 -0.2422476 -0.1465714), wk = 0.0030960 k( 16) = ( 0.1500000 -0.2595510 -0.1570408), wk = 0.0030960 k( 17) = ( 0.1600000 -0.2768544 -0.1675101), wk = 0.0030960 k( 18) = ( 0.1700000 -0.2941578 -0.1779795), wk = 0.0030960 k( 19) = ( 0.1800000 -0.3114612 -0.1884489), wk = 0.0030960 k( 20) = ( 0.1900000 -0.3287646 -0.1989183), wk = 0.0030960 k( 21) = ( 0.2000000 -0.3460680 -0.2093877), wk = 0.0030960 k( 22) = ( 0.2100000 -0.3633714 -0.2198571), wk = 0.0030960 k( 23) = ( 0.2200000 -0.3806748 -0.2303264), wk = 0.0030960 k( 24) = ( 0.2300000 -0.3979782 -0.2407958), wk = 0.0030960 k( 25) = ( 0.2400000 -0.4152816 -0.2512652), wk = 0.0030960 k( 26) = ( 0.2500000 -0.4325850 -0.2617346), wk = 0.0030960 k( 27) = ( 0.2600000 -0.4498884 -0.2722040), wk = 0.0030960 k( 28) = ( 0.2700000 -0.4671918 -0.2826734), wk = 0.0030960 k( 29) = ( 0.2800000 -0.4844952 -0.2931427), wk = 0.0030960 k( 30) = ( 0.2900000 -0.5017986 -0.3036121), wk = 0.0030960 k( 31) = ( 0.3000000 -0.5191020 -0.3140815), wk = 0.0030960 k( 32) = ( 0.3100000 -0.5364054 -0.3245509), wk = 0.0030960 k( 33) = ( 0.3200000 -0.5537088 -0.3350203), wk = 0.0030960 k( 34) = ( 0.3300000 -0.5710122 -0.3454897), wk = 0.0030960 k( 35) = ( 0.3400000 -0.5883156 -0.3559590), wk = 0.0030960 k( 36) = ( 0.3500000 -0.6056190 -0.3664284), wk = 0.0030960 k( 37) = ( 0.3600000 -0.6229224 -0.3768978), wk = 0.0030960 k( 38) = ( 0.3700000 -0.6402258 -0.3873672), wk = 0.0030960 k( 39) = ( 0.3800000 -0.6575292 -0.3978366), wk = 0.0030960 k( 40) = ( 0.3900000 -0.6748326 -0.4083060), wk = 0.0030960 k( 41) = ( 0.4000000 -0.6921360 -0.4187753), wk = 0.0030960 k( 42) = ( 0.4100000 -0.7094394 -0.4292447), wk = 0.0030960 k( 43) = ( 0.4200000 -0.7267428 -0.4397141), wk = 0.0030960 k( 44) = ( 0.4300000 -0.7440462 -0.4501835), wk = 0.0030960 k( 45) = ( 0.4400000 -0.7613496 -0.4606529), wk = 0.0030960 k( 46) = ( 0.4500000 -0.7786530 -0.4711223), wk = 0.0030960 k( 47) = ( 0.4600000 -0.7959564 -0.4815916), wk = 0.0030960 k( 48) = ( 0.4700000 -0.8132598 -0.4920610), wk = 0.0030960 k( 49) = ( 0.4800000 -0.8305632 -0.5025304), wk = 0.0030960 k( 50) = ( 0.4900000 -0.8478666 -0.5129998), wk = 0.0030960 k( 51) = ( 0.5000000 -0.8651700 -0.5234692), wk = 0.0030960 k( 52) = ( 0.5000000 -0.8651700 -0.5234692), wk = 0.0030960 k( 53) = ( 0.5000000 -0.8533697 -0.5429724), wk = 0.0030960 k( 54) = ( 0.5000000 -0.8415693 -0.5624756), wk = 0.0030960 k( 55) = ( 0.5000000 -0.8297689 -0.5819788), wk = 0.0030960 k( 56) = ( 0.5000000 -0.8179685 -0.6014820), wk = 0.0030960 k( 57) = ( 0.5000000 -0.8061682 -0.6209852), wk = 0.0030960 k( 58) = ( 0.5000000 -0.7943678 -0.6404885), wk = 0.0030960 k( 59) = ( 0.5000000 -0.7825674 -0.6599917), wk = 0.0030960 k( 60) = ( 0.5000000 -0.7707670 -0.6794949), wk = 0.0030960 k( 61) = ( 0.5000000 -0.7589667 -0.6989981), wk = 0.0030960 k( 62) = ( 0.5000000 -0.7471663 -0.7185013), wk = 0.0030960 k( 63) = ( 0.5000000 -0.7353659 -0.7380045), wk = 0.0030960 k( 64) = ( 0.5000000 -0.7235655 -0.7575077), wk = 0.0030960 k( 65) = ( 0.5000000 -0.7117652 -0.7770109), wk = 0.0030960 k( 66) = ( 0.5000000 -0.6999648 -0.7965141), wk = 0.0030960 k( 67) = ( 0.5000000 -0.6881644 -0.8160174), wk = 0.0030960 k( 68) = ( 0.5000000 -0.6763640 -0.8355206), wk = 0.0030960 k( 69) = ( 0.5000000 -0.6645636 -0.8550238), wk = 0.0030960 k( 70) = ( 0.5000000 -0.6527633 -0.8745270), wk = 0.0030960 k( 71) = ( 0.5000000 -0.6409629 -0.8940302), wk = 0.0030960 k( 72) = ( 0.5000000 -0.6291625 -0.9135334), wk = 0.0030960 k( 73) = ( 0.5000000 -0.6173622 -0.9330366), wk = 0.0030960 k( 74) = ( 0.5000000 -0.6055618 -0.9525399), wk = 0.0030960 k( 75) = ( 0.5000000 -0.5937614 -0.9720431), wk = 0.0030960 k( 76) = ( 0.5000000 -0.5819610 -0.9915463), wk = 0.0030960 k( 77) = ( 0.5000000 -0.5701607 -1.0110495), wk = 0.0030960 k( 78) = ( 0.5000000 -0.5583603 -1.0305527), wk = 0.0030960 k( 79) = ( 0.5000000 -0.5465599 -1.0500559), wk = 0.0030960 k( 80) = ( 0.5000000 -0.5347595 -1.0695592), wk = 0.0030960 k( 81) = ( 0.5000000 -0.5229591 -1.0890624), wk = 0.0030960 k( 82) = ( 0.5000000 -0.5111588 -1.1085656), wk = 0.0030960 k( 83) = ( 0.5000000 -0.4993584 -1.1280688), wk = 0.0030960 k( 84) = ( 0.8169586 -0.4143569 -0.9658079), wk = 0.0030960 k( 85) = ( 0.8110890 -0.4042005 -0.9464202), wk = 0.0030960 k( 86) = ( 0.8052194 -0.3940441 -0.9270324), wk = 0.0030960 k( 87) = ( 0.7993498 -0.3838877 -0.9076447), wk = 0.0030960 k( 88) = ( 0.7934802 -0.3737313 -0.8882570), wk = 0.0030960 k( 89) = ( 0.7876106 -0.3635748 -0.8688692), wk = 0.0030960 k( 90) = ( 0.7817410 -0.3534184 -0.8494815), wk = 0.0030960 k( 91) = ( 0.7758714 -0.3432620 -0.8300937), wk = 0.0030960 k( 92) = ( 0.7700018 -0.3331056 -0.8107060), wk = 0.0030960 k( 93) = ( 0.7641322 -0.3229492 -0.7913182), wk = 0.0030960 k( 94) = ( 0.7582626 -0.3127928 -0.7719305), wk = 0.0030960 k( 95) = ( 0.7523930 -0.3026364 -0.7525427), wk = 0.0030960 k( 96) = ( 0.7465234 -0.2924800 -0.7331549), wk = 0.0030960 k( 97) = ( 0.7406538 -0.2823236 -0.7137672), wk = 0.0030960 k( 98) = ( 0.7347842 -0.2721672 -0.6943795), wk = 0.0030960 k( 99) = ( 0.7289146 -0.2620107 -0.6749917), wk = 0.0030960 k( 100) = ( 0.7230450 -0.2518543 -0.6556040), wk = 0.0030960 k( 101) = ( 0.7171753 -0.2416979 -0.6362162), wk = 0.0030960 k( 102) = ( 0.7113057 -0.2315415 -0.6168285), wk = 0.0030960 k( 103) = ( 0.7054361 -0.2213851 -0.5974407), wk = 0.0030960 k( 104) = ( 0.6995665 -0.2112287 -0.5780530), wk = 0.0030960 k( 105) = ( 0.6936969 -0.2010723 -0.5586652), wk = 0.0030960 k( 106) = ( 0.6878273 -0.1909159 -0.5392775), wk = 0.0030960 k( 107) = ( 0.6819577 -0.1807594 -0.5198897), wk = 0.0030960 k( 108) = ( 0.6760881 -0.1706030 -0.5005020), wk = 0.0030960 k( 109) = ( 0.6702185 -0.1604466 -0.4811142), wk = 0.0030960 k( 110) = ( 0.6643489 -0.1502902 -0.4617265), wk = 0.0030960 k( 111) = ( 0.6584793 -0.1401338 -0.4423388), wk = 0.0030960 k( 112) = ( 0.6526097 -0.1299774 -0.4229510), wk = 0.0030960 k( 113) = ( 0.6467401 -0.1198210 -0.4035633), wk = 0.0030960 k( 114) = ( 0.6408705 -0.1096646 -0.3841755), wk = 0.0030960 k( 115) = ( 0.6350009 -0.0995082 -0.3647878), wk = 0.0030960 k( 116) = ( 0.6291313 -0.0893518 -0.3454000), wk = 0.0030960 k( 117) = ( 0.6232617 -0.0791953 -0.3260123), wk = 0.0030960 k( 118) = ( 0.6173921 -0.0690389 -0.3066245), wk = 0.0030960 k( 119) = ( 0.6115225 -0.0588825 -0.2872368), wk = 0.0030960 k( 120) = ( 0.6056529 -0.0487261 -0.2678490), wk = 0.0030960 k( 121) = ( 0.5997833 -0.0385697 -0.2484613), wk = 0.0030960 k( 122) = ( 0.5939137 -0.0284133 -0.2290735), wk = 0.0030960 k( 123) = ( 0.5880441 -0.0182569 -0.2096858), wk = 0.0030960 k( 124) = ( 0.5821745 -0.0081005 -0.1902980), wk = 0.0030960 k( 125) = ( 0.5763048 0.0020559 -0.1709103), wk = 0.0030960 k( 126) = ( 0.5704352 0.0122124 -0.1515226), wk = 0.0030960 k( 127) = ( 0.5645656 0.0223688 -0.1321348), wk = 0.0030960 k( 128) = ( 0.5586960 0.0325252 -0.1127471), wk = 0.0030960 k( 129) = ( 0.5528264 0.0426816 -0.0933593), wk = 0.0030960 k( 130) = ( 0.5469568 0.0528380 -0.0739716), wk = 0.0030960 k( 131) = ( 0.5410872 0.0629944 -0.0545838), wk = 0.0030960 k( 132) = ( 0.5352176 0.0731508 -0.0351961), wk = 0.0030960 k( 133) = ( 0.5293480 0.0833072 -0.0158083), wk = 0.0030960 k( 134) = ( 0.5234784 0.0934636 0.0035794), wk = 0.0030960 k( 135) = ( 0.5176088 0.1036201 0.0229672), wk = 0.0030960 k( 136) = ( 0.5117392 0.1137765 0.0423549), wk = 0.0030960 k( 137) = ( 0.5058696 0.1239329 0.0617427), wk = 0.0030960 k( 138) = ( 0.5000000 0.1340893 0.0811304), wk = 0.0030960 k( 139) = ( 0.5000000 0.1340893 0.0811304), wk = 0.0030960 k( 140) = ( 0.4782609 0.1282593 0.0776030), wk = 0.0030960 k( 141) = ( 0.4565217 0.1224293 0.0740756), wk = 0.0030960 k( 142) = ( 0.4347826 0.1165994 0.0705482), wk = 0.0030960 k( 143) = ( 0.4130435 0.1107694 0.0670208), wk = 0.0030960 k( 144) = ( 0.3913044 0.1049394 0.0634934), wk = 0.0030960 k( 145) = ( 0.3695652 0.0991095 0.0599660), wk = 0.0030960 k( 146) = ( 0.3478261 0.0932795 0.0564386), wk = 0.0030960 k( 147) = ( 0.3260870 0.0874495 0.0529111), wk = 0.0030960 k( 148) = ( 0.3043478 0.0816196 0.0493837), wk = 0.0030960 k( 149) = ( 0.2826087 0.0757896 0.0458563), wk = 0.0030960 k( 150) = ( 0.2608696 0.0699596 0.0423289), wk = 0.0030960 k( 151) = ( 0.2391304 0.0641297 0.0388015), wk = 0.0030960 k( 152) = ( 0.2173913 0.0582997 0.0352741), wk = 0.0030960 k( 153) = ( 0.1956522 0.0524697 0.0317467), wk = 0.0030960 k( 154) = ( 0.1739130 0.0466398 0.0282193), wk = 0.0030960 k( 155) = ( 0.1521739 0.0408098 0.0246919), wk = 0.0030960 k( 156) = ( 0.1304348 0.0349798 0.0211645), wk = 0.0030960 k( 157) = ( 0.1086957 0.0291498 0.0176370), wk = 0.0030960 k( 158) = ( 0.0869565 0.0233199 0.0141096), wk = 0.0030960 k( 159) = ( 0.0652174 0.0174899 0.0105822), wk = 0.0030960 k( 160) = ( 0.0434783 0.0116599 0.0070548), wk = 0.0030960 k( 161) = ( 0.0217391 0.0058300 0.0035274), wk = 0.0030960 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 164) = ( 0.0058883 -0.0101887 -0.0194495), wk = 0.0030960 k( 165) = ( 0.0117766 -0.0203775 -0.0388989), wk = 0.0030960 k( 166) = ( 0.0176649 -0.0305662 -0.0583484), wk = 0.0030960 k( 167) = ( 0.0235531 -0.0407550 -0.0777978), wk = 0.0030960 k( 168) = ( 0.0294414 -0.0509437 -0.0972473), wk = 0.0030960 k( 169) = ( 0.0353297 -0.0611324 -0.1166968), wk = 0.0030960 k( 170) = ( 0.0412180 -0.0713212 -0.1361462), wk = 0.0030960 k( 171) = ( 0.0471063 -0.0815099 -0.1555957), wk = 0.0030960 k( 172) = ( 0.0529946 -0.0916987 -0.1750452), wk = 0.0030960 k( 173) = ( 0.0588829 -0.1018874 -0.1944946), wk = 0.0030960 k( 174) = ( 0.0647712 -0.1120762 -0.2139441), wk = 0.0030960 k( 175) = ( 0.0706594 -0.1222649 -0.2333935), wk = 0.0030960 k( 176) = ( 0.0765477 -0.1324536 -0.2528430), wk = 0.0030960 k( 177) = ( 0.0824360 -0.1426424 -0.2722925), wk = 0.0030960 k( 178) = ( 0.0883243 -0.1528311 -0.2917419), wk = 0.0030960 k( 179) = ( 0.0942126 -0.1630199 -0.3111914), wk = 0.0030960 k( 180) = ( 0.1001009 -0.1732086 -0.3306408), wk = 0.0030960 k( 181) = ( 0.1059892 -0.1833973 -0.3500903), wk = 0.0030960 k( 182) = ( 0.1118775 -0.1935861 -0.3695398), wk = 0.0030960 k( 183) = ( 0.1177658 -0.2037748 -0.3889892), wk = 0.0030960 k( 184) = ( 0.1236540 -0.2139635 -0.4084387), wk = 0.0030960 k( 185) = ( 0.1295423 -0.2241523 -0.4278881), wk = 0.0030960 k( 186) = ( 0.1354306 -0.2343410 -0.4473376), wk = 0.0030960 k( 187) = ( 0.1413189 -0.2445298 -0.4667871), wk = 0.0030960 k( 188) = ( 0.1472072 -0.2547185 -0.4862366), wk = 0.0030960 k( 189) = ( 0.1530955 -0.2649072 -0.5056860), wk = 0.0030960 k( 190) = ( 0.1589838 -0.2750960 -0.5251355), wk = 0.0030960 k( 191) = ( 0.1648721 -0.2852847 -0.5445849), wk = 0.0030960 k( 192) = ( 0.1707604 -0.2954735 -0.5640344), wk = 0.0030960 k( 193) = ( 0.1766486 -0.3056622 -0.5834838), wk = 0.0030960 k( 194) = ( 0.1825369 -0.3158509 -0.6029333), wk = 0.0030960 k( 195) = ( 0.1884252 -0.3260397 -0.6223828), wk = 0.0030960 k( 196) = ( 0.1943135 -0.3362284 -0.6418322), wk = 0.0030960 k( 197) = ( 0.2002018 -0.3464172 -0.6612817), wk = 0.0030960 k( 198) = ( 0.2060901 -0.3566059 -0.6807311), wk = 0.0030960 k( 199) = ( 0.2119784 -0.3667946 -0.7001806), wk = 0.0030960 k( 200) = ( 0.2178666 -0.3769834 -0.7196301), wk = 0.0030960 k( 201) = ( 0.2237549 -0.3871721 -0.7390795), wk = 0.0030960 k( 202) = ( 0.2296432 -0.3973609 -0.7585290), wk = 0.0030960 k( 203) = ( 0.2355315 -0.4075496 -0.7779785), wk = 0.0030960 k( 204) = ( 0.2414198 -0.4177384 -0.7974279), wk = 0.0030960 k( 205) = ( 0.2473081 -0.4279271 -0.8168774), wk = 0.0030960 k( 206) = ( 0.2531964 -0.4381158 -0.8363269), wk = 0.0030960 k( 207) = ( 0.2590847 -0.4483046 -0.8557763), wk = 0.0030960 k( 208) = ( 0.2649729 -0.4584933 -0.8752258), wk = 0.0030960 k( 209) = ( 0.2708612 -0.4686821 -0.8946752), wk = 0.0030960 k( 210) = ( 0.2767495 -0.4788708 -0.9141247), wk = 0.0030960 k( 211) = ( 0.2826378 -0.4890595 -0.9335742), wk = 0.0030960 k( 212) = ( 0.2885261 -0.4992483 -0.9530236), wk = 0.0030960 k( 213) = ( 0.2944144 -0.5094370 -0.9724731), wk = 0.0030960 k( 214) = ( 0.3003027 -0.5196258 -0.9919225), wk = 0.0030960 k( 215) = ( 0.3061910 -0.5298145 -1.0113720), wk = 0.0030960 k( 216) = ( 0.3120792 -0.5400032 -1.0308214), wk = 0.0030960 k( 217) = ( 0.3179675 -0.5501920 -1.0502709), wk = 0.0030960 k( 218) = ( 0.3238558 -0.5603807 -1.0697204), wk = 0.0030960 k( 219) = ( 0.3297441 -0.5705695 -1.0891699), wk = 0.0030960 k( 220) = ( 0.3356324 -0.5807582 -1.1086193), wk = 0.0030960 k( 221) = ( 0.3415207 -0.5909469 -1.1280688), wk = 0.0030960 k( 222) = ( 0.6584793 -0.4568577 -1.0469384), wk = 0.0030960 k( 223) = ( 0.6526097 -0.4349707 -1.0469384), wk = 0.0030960 k( 224) = ( 0.6467401 -0.4130838 -1.0469384), wk = 0.0030960 k( 225) = ( 0.6408705 -0.3911969 -1.0469384), wk = 0.0030960 k( 226) = ( 0.6350009 -0.3693100 -1.0469384), wk = 0.0030960 k( 227) = ( 0.6291313 -0.3474230 -1.0469384), wk = 0.0030960 k( 228) = ( 0.6232617 -0.3255361 -1.0469384), wk = 0.0030960 k( 229) = ( 0.6173921 -0.3036492 -1.0469384), wk = 0.0030960 k( 230) = ( 0.6115225 -0.2817622 -1.0469384), wk = 0.0030960 k( 231) = ( 0.6056529 -0.2598753 -1.0469384), wk = 0.0030960 k( 232) = ( 0.5997833 -0.2379884 -1.0469384), wk = 0.0030960 k( 233) = ( 0.5939137 -0.2161015 -1.0469384), wk = 0.0030960 k( 234) = ( 0.5880441 -0.1942146 -1.0469384), wk = 0.0030960 k( 235) = ( 0.5821745 -0.1723276 -1.0469384), wk = 0.0030960 k( 236) = ( 0.5763048 -0.1504407 -1.0469384), wk = 0.0030960 k( 237) = ( 0.5704352 -0.1285538 -1.0469384), wk = 0.0030960 k( 238) = ( 0.5645656 -0.1066669 -1.0469384), wk = 0.0030960 k( 239) = ( 0.5586960 -0.0847800 -1.0469384), wk = 0.0030960 k( 240) = ( 0.5528264 -0.0628930 -1.0469384), wk = 0.0030960 k( 241) = ( 0.5469568 -0.0410061 -1.0469384), wk = 0.0030960 k( 242) = ( 0.5410872 -0.0191192 -1.0469384), wk = 0.0030960 k( 243) = ( 0.5352176 0.0027678 -1.0469384), wk = 0.0030960 k( 244) = ( 0.5293480 0.0246547 -1.0469384), wk = 0.0030960 k( 245) = ( 0.5234784 0.0465416 -1.0469384), wk = 0.0030960 k( 246) = ( 0.5176088 0.0684285 -1.0469384), wk = 0.0030960 k( 247) = ( 0.5117392 0.0903154 -1.0469384), wk = 0.0030960 k( 248) = ( 0.5058696 0.1122024 -1.0469384), wk = 0.0030960 k( 249) = ( 0.5000000 0.1340893 -1.0469384), wk = 0.0030960 k( 250) = ( 0.5000000 0.1340893 -1.0469384), wk = 0.0030960 k( 251) = ( 0.5198099 0.1394019 -1.0367971), wk = 0.0030960 k( 252) = ( 0.5396198 0.1447145 -1.0266557), wk = 0.0030960 k( 253) = ( 0.5594297 0.1500271 -1.0165144), wk = 0.0030960 k( 254) = ( 0.5792396 0.1553397 -1.0063731), wk = 0.0030960 k( 255) = ( 0.5990496 0.1606523 -0.9962318), wk = 0.0030960 k( 256) = ( 0.6188595 0.1659649 -0.9860905), wk = 0.0030960 k( 257) = ( 0.6386694 0.1712774 -0.9759492), wk = 0.0030960 k( 258) = ( 0.6584793 0.1765900 -0.9658079), wk = 0.0030960 k( 259) = ( 0.6584793 0.1765900 -0.9658079), wk = 0.0030960 k( 260) = ( 0.6551074 0.1756858 -0.9435327), wk = 0.0030960 k( 261) = ( 0.6517355 0.1747815 -0.9212574), wk = 0.0030960 k( 262) = ( 0.6483636 0.1738772 -0.8989821), wk = 0.0030960 k( 263) = ( 0.6449917 0.1729730 -0.8767068), wk = 0.0030960 k( 264) = ( 0.6416198 0.1720687 -0.8544315), wk = 0.0030960 k( 265) = ( 0.6382479 0.1711644 -0.8321562), wk = 0.0030960 k( 266) = ( 0.6348760 0.1702601 -0.8098810), wk = 0.0030960 k( 267) = ( 0.6315041 0.1693559 -0.7876057), wk = 0.0030960 k( 268) = ( 0.6281322 0.1684516 -0.7653304), wk = 0.0030960 k( 269) = ( 0.6247603 0.1675473 -0.7430551), wk = 0.0030960 k( 270) = ( 0.6213884 0.1666431 -0.7207798), wk = 0.0030960 k( 271) = ( 0.6180165 0.1657388 -0.6985045), wk = 0.0030960 k( 272) = ( 0.6146446 0.1648345 -0.6762292), wk = 0.0030960 k( 273) = ( 0.6112727 0.1639302 -0.6539539), wk = 0.0030960 k( 274) = ( 0.6079008 0.1630260 -0.6316787), wk = 0.0030960 k( 275) = ( 0.6045289 0.1621217 -0.6094034), wk = 0.0030960 k( 276) = ( 0.6011570 0.1612174 -0.5871281), wk = 0.0030960 k( 277) = ( 0.5977851 0.1603132 -0.5648528), wk = 0.0030960 k( 278) = ( 0.5944132 0.1594089 -0.5425775), wk = 0.0030960 k( 279) = ( 0.5910413 0.1585046 -0.5203022), wk = 0.0030960 k( 280) = ( 0.5876694 0.1576003 -0.4980270), wk = 0.0030960 k( 281) = ( 0.5842975 0.1566961 -0.4757517), wk = 0.0030960 k( 282) = ( 0.5809256 0.1557918 -0.4534764), wk = 0.0030960 k( 283) = ( 0.5775537 0.1548875 -0.4312011), wk = 0.0030960 k( 284) = ( 0.5741818 0.1539833 -0.4089258), wk = 0.0030960 k( 285) = ( 0.5708099 0.1530790 -0.3866506), wk = 0.0030960 k( 286) = ( 0.5674380 0.1521747 -0.3643753), wk = 0.0030960 k( 287) = ( 0.5640661 0.1512704 -0.3421000), wk = 0.0030960 k( 288) = ( 0.5606942 0.1503662 -0.3198247), wk = 0.0030960 k( 289) = ( 0.5573223 0.1494619 -0.2975494), wk = 0.0030960 k( 290) = ( 0.5539504 0.1485576 -0.2752741), wk = 0.0030960 k( 291) = ( 0.5505785 0.1476534 -0.2529988), wk = 0.0030960 k( 292) = ( 0.5472066 0.1467491 -0.2307235), wk = 0.0030960 k( 293) = ( 0.5438347 0.1458448 -0.2084483), wk = 0.0030960 k( 294) = ( 0.5404628 0.1449405 -0.1861730), wk = 0.0030960 k( 295) = ( 0.5370909 0.1440363 -0.1638977), wk = 0.0030960 k( 296) = ( 0.5337190 0.1431320 -0.1416224), wk = 0.0030960 k( 297) = ( 0.5303471 0.1422277 -0.1193471), wk = 0.0030960 k( 298) = ( 0.5269752 0.1413235 -0.0970718), wk = 0.0030960 k( 299) = ( 0.5236033 0.1404192 -0.0747966), wk = 0.0030960 k( 300) = ( 0.5202314 0.1395149 -0.0525213), wk = 0.0030960 k( 301) = ( 0.5168595 0.1386106 -0.0302460), wk = 0.0030960 k( 302) = ( 0.5134876 0.1377064 -0.0079707), wk = 0.0030960 k( 303) = ( 0.5101157 0.1368021 0.0143046), wk = 0.0030960 k( 304) = ( 0.5067438 0.1358978 0.0365799), wk = 0.0030960 k( 305) = ( 0.5033719 0.1349936 0.0588551), wk = 0.0030960 k( 306) = ( 0.5000000 0.1340893 0.0811304), wk = 0.0030960 k( 307) = ( 0.5000000 -0.8651700 -0.5234692), wk = 0.0030960 k( 308) = ( 0.5198099 -0.8567894 -0.5183985), wk = 0.0030960 k( 309) = ( 0.5396198 -0.8484089 -0.5133279), wk = 0.0030960 k( 310) = ( 0.5594297 -0.8400283 -0.5082572), wk = 0.0030960 k( 311) = ( 0.5792396 -0.8316477 -0.5031866), wk = 0.0030960 k( 312) = ( 0.5990496 -0.8232671 -0.4981159), wk = 0.0030960 k( 313) = ( 0.6188595 -0.8148865 -0.4930453), wk = 0.0030960 k( 314) = ( 0.6386694 -0.8065060 -0.4879746), wk = 0.0030960 k( 315) = ( 0.6584793 -0.7981254 -0.4829040), wk = 0.0030960 k( 316) = ( 0.6782892 -0.7897448 -0.4778333), wk = 0.0030960 k( 317) = ( 0.6980991 -0.7813642 -0.4727627), wk = 0.0030960 k( 318) = ( 0.7179091 -0.7729836 -0.4676920), wk = 0.0030960 k( 319) = ( 0.7377190 -0.7646031 -0.4626214), wk = 0.0030960 k( 320) = ( 0.7575289 -0.7562225 -0.4575507), wk = 0.0030960 k( 321) = ( 0.7773388 -0.7478419 -0.4524801), wk = 0.0030960 k( 322) = ( 0.7971487 -0.7394613 -0.4474094), wk = 0.0030960 k( 323) = ( 0.8169586 -0.7310807 -0.4423388), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0100000 -0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0030960 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0700000 -0.0000000 0.0000000), wk = 0.0030960 k( 9) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0030960 k( 11) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0030960 k( 15) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0030960 k( 16) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0030960 k( 17) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0030960 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0030960 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0030960 k( 21) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0030960 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0030960 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0030960 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030960 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0030960 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0030960 k( 29) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0030960 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0030960 k( 31) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0030960 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0030960 k( 33) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0030960 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0030960 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030960 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0030960 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0030960 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0030960 k( 40) = ( 0.3900000 -0.0000000 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0030960 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0030960 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0030960 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0030960 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0030960 k( 46) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0030960 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0030960 k( 48) = ( 0.4700000 0.0000000 0.0000000), wk = 0.0030960 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0030960 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 53) = ( 0.5000000 0.0059046 -0.0059046), wk = 0.0030960 k( 54) = ( 0.5000000 0.0118091 -0.0118091), wk = 0.0030960 k( 55) = ( 0.5000000 0.0177137 -0.0177137), wk = 0.0030960 k( 56) = ( 0.5000000 0.0236182 -0.0236182), wk = 0.0030960 k( 57) = ( 0.5000000 0.0295228 -0.0295228), wk = 0.0030960 k( 58) = ( 0.5000000 0.0354274 -0.0354274), wk = 0.0030960 k( 59) = ( 0.5000000 0.0413319 -0.0413319), wk = 0.0030960 k( 60) = ( 0.5000000 0.0472365 -0.0472365), wk = 0.0030960 k( 61) = ( 0.5000000 0.0531410 -0.0531410), wk = 0.0030960 k( 62) = ( 0.5000000 0.0590456 -0.0590456), wk = 0.0030960 k( 63) = ( 0.5000000 0.0649502 -0.0649502), wk = 0.0030960 k( 64) = ( 0.5000000 0.0708547 -0.0708547), wk = 0.0030960 k( 65) = ( 0.5000000 0.0767593 -0.0767593), wk = 0.0030960 k( 66) = ( 0.5000000 0.0826638 -0.0826638), wk = 0.0030960 k( 67) = ( 0.5000000 0.0885684 -0.0885684), wk = 0.0030960 k( 68) = ( 0.5000000 0.0944730 -0.0944730), wk = 0.0030960 k( 69) = ( 0.5000000 0.1003775 -0.1003775), wk = 0.0030960 k( 70) = ( 0.5000000 0.1062821 -0.1062821), wk = 0.0030960 k( 71) = ( 0.5000000 0.1121867 -0.1121867), wk = 0.0030960 k( 72) = ( 0.5000000 0.1180912 -0.1180912), wk = 0.0030960 k( 73) = ( 0.5000000 0.1239958 -0.1239958), wk = 0.0030960 k( 74) = ( 0.5000000 0.1299003 -0.1299003), wk = 0.0030960 k( 75) = ( 0.5000000 0.1358049 -0.1358049), wk = 0.0030960 k( 76) = ( 0.5000000 0.1417095 -0.1417095), wk = 0.0030960 k( 77) = ( 0.5000000 0.1476140 -0.1476140), wk = 0.0030960 k( 78) = ( 0.5000000 0.1535186 -0.1535186), wk = 0.0030960 k( 79) = ( 0.5000000 0.1594231 -0.1594231), wk = 0.0030960 k( 80) = ( 0.5000000 0.1653277 -0.1653277), wk = 0.0030960 k( 81) = ( 0.5000000 0.1712323 -0.1712323), wk = 0.0030960 k( 82) = ( 0.5000000 0.1771368 -0.1771368), wk = 0.0030960 k( 83) = ( 0.5000000 0.1830414 -0.1830414), wk = 0.0030960 k( 84) = ( 0.8169586 0.5000000 0.1830414), wk = 0.0030960 k( 85) = ( 0.8110890 0.5000000 0.1889110), wk = 0.0030960 k( 86) = ( 0.8052194 0.5000000 0.1947806), wk = 0.0030960 k( 87) = ( 0.7993498 0.5000000 0.2006502), wk = 0.0030960 k( 88) = ( 0.7934802 0.5000000 0.2065198), wk = 0.0030960 k( 89) = ( 0.7876106 0.5000000 0.2123894), wk = 0.0030960 k( 90) = ( 0.7817410 0.5000000 0.2182590), wk = 0.0030960 k( 91) = ( 0.7758714 0.5000000 0.2241286), wk = 0.0030960 k( 92) = ( 0.7700018 0.5000000 0.2299982), wk = 0.0030960 k( 93) = ( 0.7641322 0.5000000 0.2358678), wk = 0.0030960 k( 94) = ( 0.7582626 0.5000000 0.2417374), wk = 0.0030960 k( 95) = ( 0.7523930 0.5000000 0.2476070), wk = 0.0030960 k( 96) = ( 0.7465234 0.5000000 0.2534766), wk = 0.0030960 k( 97) = ( 0.7406538 0.5000000 0.2593462), wk = 0.0030960 k( 98) = ( 0.7347842 0.5000000 0.2652158), wk = 0.0030960 k( 99) = ( 0.7289146 0.5000000 0.2710855), wk = 0.0030960 k( 100) = ( 0.7230450 0.5000000 0.2769550), wk = 0.0030960 k( 101) = ( 0.7171753 0.5000000 0.2828247), wk = 0.0030960 k( 102) = ( 0.7113057 0.5000000 0.2886943), wk = 0.0030960 k( 103) = ( 0.7054361 0.5000000 0.2945639), wk = 0.0030960 k( 104) = ( 0.6995665 0.5000000 0.3004335), wk = 0.0030960 k( 105) = ( 0.6936969 0.5000000 0.3063031), wk = 0.0030960 k( 106) = ( 0.6878273 0.5000000 0.3121727), wk = 0.0030960 k( 107) = ( 0.6819577 0.5000000 0.3180423), wk = 0.0030960 k( 108) = ( 0.6760881 0.5000000 0.3239119), wk = 0.0030960 k( 109) = ( 0.6702185 0.5000000 0.3297815), wk = 0.0030960 k( 110) = ( 0.6643489 0.5000000 0.3356511), wk = 0.0030960 k( 111) = ( 0.6584793 0.5000000 0.3415207), wk = 0.0030960 k( 112) = ( 0.6526097 0.5000000 0.3473903), wk = 0.0030960 k( 113) = ( 0.6467401 0.5000000 0.3532599), wk = 0.0030960 k( 114) = ( 0.6408705 0.5000000 0.3591295), wk = 0.0030960 k( 115) = ( 0.6350009 0.5000000 0.3649991), wk = 0.0030960 k( 116) = ( 0.6291313 0.5000000 0.3708687), wk = 0.0030960 k( 117) = ( 0.6232617 0.5000000 0.3767383), wk = 0.0030960 k( 118) = ( 0.6173921 0.5000000 0.3826079), wk = 0.0030960 k( 119) = ( 0.6115225 0.5000000 0.3884775), wk = 0.0030960 k( 120) = ( 0.6056529 0.5000000 0.3943471), wk = 0.0030960 k( 121) = ( 0.5997833 0.5000000 0.4002167), wk = 0.0030960 k( 122) = ( 0.5939137 0.5000000 0.4060863), wk = 0.0030960 k( 123) = ( 0.5880441 0.5000000 0.4119559), wk = 0.0030960 k( 124) = ( 0.5821745 0.5000000 0.4178256), wk = 0.0030960 k( 125) = ( 0.5763048 0.5000000 0.4236951), wk = 0.0030960 k( 126) = ( 0.5704352 0.5000000 0.4295647), wk = 0.0030960 k( 127) = ( 0.5645656 0.5000000 0.4354344), wk = 0.0030960 k( 128) = ( 0.5586960 0.5000000 0.4413040), wk = 0.0030960 k( 129) = ( 0.5528264 0.5000000 0.4471736), wk = 0.0030960 k( 130) = ( 0.5469568 0.5000000 0.4530432), wk = 0.0030960 k( 131) = ( 0.5410872 0.5000000 0.4589128), wk = 0.0030960 k( 132) = ( 0.5352176 0.5000000 0.4647824), wk = 0.0030960 k( 133) = ( 0.5293480 0.5000000 0.4706520), wk = 0.0030960 k( 134) = ( 0.5234784 0.5000000 0.4765216), wk = 0.0030960 k( 135) = ( 0.5176088 0.5000000 0.4823912), wk = 0.0030960 k( 136) = ( 0.5117392 0.5000000 0.4882608), wk = 0.0030960 k( 137) = ( 0.5058696 0.5000000 0.4941304), wk = 0.0030960 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0030960 k( 141) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0030960 k( 142) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0030960 k( 143) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0030960 k( 144) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0030960 k( 145) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0030960 k( 146) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0030960 k( 147) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0030960 k( 148) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0030960 k( 149) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0030960 k( 150) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0030960 k( 151) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0030960 k( 152) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0030960 k( 153) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0030960 k( 154) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0030960 k( 155) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0030960 k( 156) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0030960 k( 157) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0030960 k( 158) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0030960 k( 159) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0030960 k( 160) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0030960 k( 161) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0030960 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 164) = ( 0.0058883 -0.0000000 -0.0058883), wk = 0.0030960 k( 165) = ( 0.0117766 -0.0000000 -0.0117766), wk = 0.0030960 k( 166) = ( 0.0176649 0.0000000 -0.0176649), wk = 0.0030960 k( 167) = ( 0.0235531 0.0000000 -0.0235531), wk = 0.0030960 k( 168) = ( 0.0294414 0.0000000 -0.0294414), wk = 0.0030960 k( 169) = ( 0.0353297 0.0000000 -0.0353297), wk = 0.0030960 k( 170) = ( 0.0412180 0.0000000 -0.0412180), wk = 0.0030960 k( 171) = ( 0.0471063 0.0000000 -0.0471063), wk = 0.0030960 k( 172) = ( 0.0529946 -0.0000000 -0.0529946), wk = 0.0030960 k( 173) = ( 0.0588829 0.0000000 -0.0588829), wk = 0.0030960 k( 174) = ( 0.0647712 -0.0000000 -0.0647712), wk = 0.0030960 k( 175) = ( 0.0706594 0.0000000 -0.0706594), wk = 0.0030960 k( 176) = ( 0.0765477 0.0000000 -0.0765477), wk = 0.0030960 k( 177) = ( 0.0824360 -0.0000000 -0.0824360), wk = 0.0030960 k( 178) = ( 0.0883243 0.0000000 -0.0883243), wk = 0.0030960 k( 179) = ( 0.0942126 0.0000000 -0.0942126), wk = 0.0030960 k( 180) = ( 0.1001009 0.0000000 -0.1001009), wk = 0.0030960 k( 181) = ( 0.1059892 -0.0000000 -0.1059892), wk = 0.0030960 k( 182) = ( 0.1118775 -0.0000000 -0.1118775), wk = 0.0030960 k( 183) = ( 0.1177658 0.0000000 -0.1177658), wk = 0.0030960 k( 184) = ( 0.1236540 0.0000000 -0.1236540), wk = 0.0030960 k( 185) = ( 0.1295423 0.0000000 -0.1295423), wk = 0.0030960 k( 186) = ( 0.1354306 -0.0000000 -0.1354306), wk = 0.0030960 k( 187) = ( 0.1413189 0.0000000 -0.1413189), wk = 0.0030960 k( 188) = ( 0.1472072 0.0000000 -0.1472072), wk = 0.0030960 k( 189) = ( 0.1530955 0.0000000 -0.1530955), wk = 0.0030960 k( 190) = ( 0.1589838 0.0000000 -0.1589838), wk = 0.0030960 k( 191) = ( 0.1648721 -0.0000000 -0.1648721), wk = 0.0030960 k( 192) = ( 0.1707604 0.0000000 -0.1707603), wk = 0.0030960 k( 193) = ( 0.1766486 -0.0000000 -0.1766486), wk = 0.0030960 k( 194) = ( 0.1825369 0.0000000 -0.1825369), wk = 0.0030960 k( 195) = ( 0.1884252 -0.0000000 -0.1884252), wk = 0.0030960 k( 196) = ( 0.1943135 0.0000000 -0.1943135), wk = 0.0030960 k( 197) = ( 0.2002018 0.0000000 -0.2002018), wk = 0.0030960 k( 198) = ( 0.2060901 0.0000000 -0.2060901), wk = 0.0030960 k( 199) = ( 0.2119784 -0.0000000 -0.2119784), wk = 0.0030960 k( 200) = ( 0.2178666 -0.0000000 -0.2178667), wk = 0.0030960 k( 201) = ( 0.2237549 -0.0000000 -0.2237549), wk = 0.0030960 k( 202) = ( 0.2296432 -0.0000000 -0.2296432), wk = 0.0030960 k( 203) = ( 0.2355315 0.0000000 -0.2355315), wk = 0.0030960 k( 204) = ( 0.2414198 0.0000000 -0.2414198), wk = 0.0030960 k( 205) = ( 0.2473081 0.0000000 -0.2473081), wk = 0.0030960 k( 206) = ( 0.2531964 0.0000000 -0.2531964), wk = 0.0030960 k( 207) = ( 0.2590847 0.0000000 -0.2590847), wk = 0.0030960 k( 208) = ( 0.2649729 0.0000000 -0.2649729), wk = 0.0030960 k( 209) = ( 0.2708612 -0.0000000 -0.2708612), wk = 0.0030960 k( 210) = ( 0.2767495 0.0000000 -0.2767495), wk = 0.0030960 k( 211) = ( 0.2826378 0.0000000 -0.2826378), wk = 0.0030960 k( 212) = ( 0.2885261 -0.0000000 -0.2885261), wk = 0.0030960 k( 213) = ( 0.2944144 -0.0000000 -0.2944144), wk = 0.0030960 k( 214) = ( 0.3003027 -0.0000000 -0.3003027), wk = 0.0030960 k( 215) = ( 0.3061910 -0.0000000 -0.3061910), wk = 0.0030960 k( 216) = ( 0.3120792 0.0000000 -0.3120792), wk = 0.0030960 k( 217) = ( 0.3179675 0.0000000 -0.3179675), wk = 0.0030960 k( 218) = ( 0.3238558 0.0000000 -0.3238558), wk = 0.0030960 k( 219) = ( 0.3297441 -0.0000000 -0.3297441), wk = 0.0030960 k( 220) = ( 0.3356324 0.0000000 -0.3356324), wk = 0.0030960 k( 221) = ( 0.3415207 0.0000000 -0.3415207), wk = 0.0030960 k( 222) = ( 0.6584793 0.3415207 0.0000000), wk = 0.0030960 k( 223) = ( 0.6526097 0.3473903 -0.0000000), wk = 0.0030960 k( 224) = ( 0.6467401 0.3532599 0.0000000), wk = 0.0030960 k( 225) = ( 0.6408705 0.3591295 0.0000000), wk = 0.0030960 k( 226) = ( 0.6350009 0.3649991 0.0000000), wk = 0.0030960 k( 227) = ( 0.6291313 0.3708687 0.0000000), wk = 0.0030960 k( 228) = ( 0.6232617 0.3767383 0.0000000), wk = 0.0030960 k( 229) = ( 0.6173921 0.3826079 0.0000000), wk = 0.0030960 k( 230) = ( 0.6115225 0.3884775 0.0000000), wk = 0.0030960 k( 231) = ( 0.6056529 0.3943471 0.0000000), wk = 0.0030960 k( 232) = ( 0.5997833 0.4002167 0.0000000), wk = 0.0030960 k( 233) = ( 0.5939137 0.4060863 0.0000000), wk = 0.0030960 k( 234) = ( 0.5880441 0.4119559 0.0000000), wk = 0.0030960 k( 235) = ( 0.5821745 0.4178255 0.0000000), wk = 0.0030960 k( 236) = ( 0.5763048 0.4236952 0.0000000), wk = 0.0030960 k( 237) = ( 0.5704352 0.4295647 -0.0000000), wk = 0.0030960 k( 238) = ( 0.5645656 0.4354344 0.0000000), wk = 0.0030960 k( 239) = ( 0.5586960 0.4413040 -0.0000000), wk = 0.0030960 k( 240) = ( 0.5528264 0.4471736 0.0000000), wk = 0.0030960 k( 241) = ( 0.5469568 0.4530432 -0.0000000), wk = 0.0030960 k( 242) = ( 0.5410872 0.4589128 0.0000000), wk = 0.0030960 k( 243) = ( 0.5352176 0.4647824 0.0000000), wk = 0.0030960 k( 244) = ( 0.5293480 0.4706520 0.0000000), wk = 0.0030960 k( 245) = ( 0.5234784 0.4765216 0.0000000), wk = 0.0030960 k( 246) = ( 0.5176088 0.4823912 0.0000000), wk = 0.0030960 k( 247) = ( 0.5117392 0.4882608 0.0000000), wk = 0.0030960 k( 248) = ( 0.5058696 0.4941304 0.0000000), wk = 0.0030960 k( 249) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030960 k( 250) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030960 k( 251) = ( 0.5198099 0.5198099 0.0228802), wk = 0.0030960 k( 252) = ( 0.5396198 0.5396198 0.0457603), wk = 0.0030960 k( 253) = ( 0.5594297 0.5594297 0.0686405), wk = 0.0030960 k( 254) = ( 0.5792396 0.5792396 0.0915207), wk = 0.0030960 k( 255) = ( 0.5990496 0.5990496 0.1144009), wk = 0.0030960 k( 256) = ( 0.6188595 0.6188595 0.1372810), wk = 0.0030960 k( 257) = ( 0.6386694 0.6386694 0.1601612), wk = 0.0030960 k( 258) = ( 0.6584793 0.6584793 0.1830414), wk = 0.0030960 k( 259) = ( 0.6584793 0.6584793 0.1830414), wk = 0.0030960 k( 260) = ( 0.6551074 0.6551074 0.1897852), wk = 0.0030960 k( 261) = ( 0.6517355 0.6517355 0.1965290), wk = 0.0030960 k( 262) = ( 0.6483636 0.6483636 0.2032728), wk = 0.0030960 k( 263) = ( 0.6449917 0.6449917 0.2100166), wk = 0.0030960 k( 264) = ( 0.6416198 0.6416198 0.2167604), wk = 0.0030960 k( 265) = ( 0.6382479 0.6382479 0.2235042), wk = 0.0030960 k( 266) = ( 0.6348760 0.6348760 0.2302480), wk = 0.0030960 k( 267) = ( 0.6315041 0.6315041 0.2369918), wk = 0.0030960 k( 268) = ( 0.6281322 0.6281322 0.2437356), wk = 0.0030960 k( 269) = ( 0.6247603 0.6247603 0.2504794), wk = 0.0030960 k( 270) = ( 0.6213884 0.6213884 0.2572232), wk = 0.0030960 k( 271) = ( 0.6180165 0.6180165 0.2639670), wk = 0.0030960 k( 272) = ( 0.6146446 0.6146446 0.2707108), wk = 0.0030960 k( 273) = ( 0.6112727 0.6112727 0.2774546), wk = 0.0030960 k( 274) = ( 0.6079008 0.6079008 0.2841984), wk = 0.0030960 k( 275) = ( 0.6045289 0.6045289 0.2909422), wk = 0.0030960 k( 276) = ( 0.6011570 0.6011570 0.2976860), wk = 0.0030960 k( 277) = ( 0.5977851 0.5977851 0.3044298), wk = 0.0030960 k( 278) = ( 0.5944132 0.5944132 0.3111736), wk = 0.0030960 k( 279) = ( 0.5910413 0.5910413 0.3179174), wk = 0.0030960 k( 280) = ( 0.5876694 0.5876694 0.3246612), wk = 0.0030960 k( 281) = ( 0.5842975 0.5842975 0.3314050), wk = 0.0030960 k( 282) = ( 0.5809256 0.5809256 0.3381488), wk = 0.0030960 k( 283) = ( 0.5775537 0.5775537 0.3448926), wk = 0.0030960 k( 284) = ( 0.5741818 0.5741818 0.3516364), wk = 0.0030960 k( 285) = ( 0.5708099 0.5708099 0.3583802), wk = 0.0030960 k( 286) = ( 0.5674380 0.5674380 0.3651240), wk = 0.0030960 k( 287) = ( 0.5640661 0.5640661 0.3718678), wk = 0.0030960 k( 288) = ( 0.5606942 0.5606942 0.3786116), wk = 0.0030960 k( 289) = ( 0.5573223 0.5573223 0.3853554), wk = 0.0030960 k( 290) = ( 0.5539504 0.5539504 0.3920992), wk = 0.0030960 k( 291) = ( 0.5505785 0.5505785 0.3988430), wk = 0.0030960 k( 292) = ( 0.5472066 0.5472066 0.4055868), wk = 0.0030960 k( 293) = ( 0.5438347 0.5438347 0.4123306), wk = 0.0030960 k( 294) = ( 0.5404628 0.5404628 0.4190744), wk = 0.0030960 k( 295) = ( 0.5370909 0.5370909 0.4258182), wk = 0.0030960 k( 296) = ( 0.5337190 0.5337190 0.4325620), wk = 0.0030960 k( 297) = ( 0.5303471 0.5303471 0.4393058), wk = 0.0030960 k( 298) = ( 0.5269752 0.5269752 0.4460496), wk = 0.0030960 k( 299) = ( 0.5236033 0.5236033 0.4527934), wk = 0.0030960 k( 300) = ( 0.5202314 0.5202314 0.4595372), wk = 0.0030960 k( 301) = ( 0.5168595 0.5168595 0.4662810), wk = 0.0030960 k( 302) = ( 0.5134876 0.5134876 0.4730248), wk = 0.0030960 k( 303) = ( 0.5101157 0.5101157 0.4797686), wk = 0.0030960 k( 304) = ( 0.5067438 0.5067438 0.4865124), wk = 0.0030960 k( 305) = ( 0.5033719 0.5033719 0.4932562), wk = 0.0030960 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030960 k( 307) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 308) = ( 0.5198099 0.0213450 0.0213450), wk = 0.0030960 k( 309) = ( 0.5396198 0.0426901 0.0426901), wk = 0.0030960 k( 310) = ( 0.5594297 0.0640351 0.0640351), wk = 0.0030960 k( 311) = ( 0.5792396 0.0853802 0.0853802), wk = 0.0030960 k( 312) = ( 0.5990496 0.1067252 0.1067252), wk = 0.0030960 k( 313) = ( 0.6188595 0.1280703 0.1280703), wk = 0.0030960 k( 314) = ( 0.6386694 0.1494153 0.1494153), wk = 0.0030960 k( 315) = ( 0.6584793 0.1707604 0.1707604), wk = 0.0030960 k( 316) = ( 0.6782892 0.1921054 0.1921054), wk = 0.0030960 k( 317) = ( 0.6980991 0.2134504 0.2134504), wk = 0.0030960 k( 318) = ( 0.7179091 0.2347955 0.2347955), wk = 0.0030960 k( 319) = ( 0.7377190 0.2561405 0.2561405), wk = 0.0030960 k( 320) = ( 0.7575289 0.2774856 0.2774856), wk = 0.0030960 k( 321) = ( 0.7773388 0.2988306 0.2988306), wk = 0.0030960 k( 322) = ( 0.7971487 0.3201756 0.3201757), wk = 0.0030960 k( 323) = ( 0.8169586 0.3415207 0.3415207), wk = 0.0030960 Dense grid: 155613 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 41557 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 302, 42) NL pseudopotentials 0.18 Mb ( 151, 76) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.03 Mb ( 4322) G-vector shells 0.03 Mb ( 3515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 302, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 76, 2, 42) The potential is recalculated from file : ./NaVSe2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.0 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.1 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.8 secs Computing kpt #: 24 total cpu time spent up to now is 16.3 secs Computing kpt #: 25 total cpu time spent up to now is 16.8 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.5 secs Computing kpt #: 29 total cpu time spent up to now is 19.0 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.7 secs Computing kpt #: 35 total cpu time spent up to now is 22.2 secs Computing kpt #: 36 total cpu time spent up to now is 22.8 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 23.9 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 25.0 secs Computing kpt #: 41 total cpu time spent up to now is 25.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.2 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.9 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 30.0 secs Computing kpt #: 50 total cpu time spent up to now is 30.6 secs Computing kpt #: 51 total cpu time spent up to now is 31.1 secs Computing kpt #: 52 total cpu time spent up to now is 31.7 secs Computing kpt #: 53 total cpu time spent up to now is 32.3 secs Computing kpt #: 54 total cpu time spent up to now is 32.8 secs Computing kpt #: 55 total cpu time spent up to now is 33.4 secs Computing kpt #: 56 total cpu time spent up to now is 33.9 secs Computing kpt #: 57 total cpu time spent up to now is 34.5 secs Computing kpt #: 58 total cpu time spent up to now is 35.1 secs Computing kpt #: 59 total cpu time spent up to now is 35.7 secs Computing kpt #: 60 total cpu time spent up to now is 36.2 secs Computing kpt #: 61 total cpu time spent up to now is 36.8 secs Computing kpt #: 62 total cpu time spent up to now is 37.4 secs Computing kpt #: 63 total cpu time spent up to now is 37.9 secs Computing kpt #: 64 total cpu time spent up to now is 38.5 secs Computing kpt #: 65 total cpu time spent up to now is 39.1 secs Computing kpt #: 66 total cpu time spent up to now is 39.6 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.7 secs Computing kpt #: 69 total cpu time spent up to now is 41.3 secs Computing kpt #: 70 total cpu time spent up to now is 41.9 secs Computing kpt #: 71 total cpu time spent up to now is 42.4 secs Computing kpt #: 72 total cpu time spent up to now is 43.0 secs Computing kpt #: 73 total cpu time spent up to now is 43.5 secs Computing kpt #: 74 total cpu time spent up to now is 44.1 secs Computing kpt #: 75 total cpu time spent up to now is 44.6 secs Computing kpt #: 76 total cpu time spent up to now is 45.2 secs Computing kpt #: 77 total cpu time spent up to now is 45.7 secs Computing kpt #: 78 total cpu time spent up to now is 46.3 secs Computing kpt #: 79 total cpu time spent up to now is 46.8 secs Computing kpt #: 80 total cpu time spent up to now is 47.4 secs Computing kpt #: 81 total cpu time spent up to now is 47.9 secs Computing kpt #: 82 total cpu time spent up to now is 48.5 secs Computing kpt #: 83 total cpu time spent up to now is 49.0 secs Computing kpt #: 84 total cpu time spent up to now is 49.6 secs Computing kpt #: 85 total cpu time spent up to now is 50.1 secs Computing kpt #: 86 total cpu time spent up to now is 50.7 secs Computing kpt #: 87 total cpu time spent up to now is 51.2 secs Computing kpt #: 88 total cpu time spent up to now is 51.8 secs Computing kpt #: 89 total cpu time spent up to now is 52.3 secs Computing kpt #: 90 total cpu time spent up to now is 52.9 secs Computing kpt #: 91 total cpu time spent up to now is 53.4 secs Computing kpt #: 92 total cpu time spent up to now is 54.0 secs Computing kpt #: 93 total cpu time spent up to now is 54.5 secs Computing kpt #: 94 total cpu time spent up to now is 55.1 secs Computing kpt #: 95 total cpu time spent up to now is 55.6 secs Computing kpt #: 96 total cpu time spent up to now is 56.2 secs Computing kpt #: 97 total cpu time spent up to now is 56.8 secs Computing kpt #: 98 total cpu time spent up to now is 57.3 secs Computing kpt #: 99 total cpu time spent up to now is 57.9 secs Computing kpt #: 100 total cpu time spent up to now is 58.5 secs Computing kpt #: 101 total cpu time spent up to now is 59.1 secs Computing kpt #: 102 total cpu time spent up to now is 59.6 secs Computing kpt #: 103 total cpu time spent up to now is 60.2 secs Computing kpt #: 104 total cpu time spent up to now is 60.7 secs Computing kpt #: 105 total cpu time spent up to now is 61.3 secs Computing kpt #: 106 total cpu time spent up to now is 61.9 secs Computing kpt #: 107 total cpu time spent up to now is 62.4 secs Computing kpt #: 108 total cpu time spent up to now is 63.0 secs Computing kpt #: 109 total cpu time spent up to now is 63.5 secs Computing kpt #: 110 total cpu time spent up to now is 64.1 secs Computing kpt #: 111 total cpu time spent up to now is 64.6 secs Computing kpt #: 112 total cpu time spent up to now is 65.2 secs Computing kpt #: 113 total cpu time spent up to now is 65.8 secs Computing kpt #: 114 total cpu time spent up to now is 66.3 secs Computing kpt #: 115 total cpu time spent up to now is 66.9 secs Computing kpt #: 116 total cpu time spent up to now is 67.4 secs Computing kpt #: 117 total cpu time spent up to now is 67.9 secs Computing kpt #: 118 total cpu time spent up to now is 68.5 secs Computing kpt #: 119 total cpu time spent up to now is 69.0 secs Computing kpt #: 120 total cpu time spent up to now is 69.5 secs Computing kpt #: 121 total cpu time spent up to now is 70.1 secs Computing kpt #: 122 total cpu time spent up to now is 70.6 secs Computing kpt #: 123 total cpu time spent up to now is 71.1 secs Computing kpt #: 124 total cpu time spent up to now is 71.6 secs Computing kpt #: 125 total cpu time spent up to now is 72.2 secs Computing kpt #: 126 total cpu time spent up to now is 72.7 secs Computing kpt #: 127 total cpu time spent up to now is 73.3 secs Computing kpt #: 128 total cpu time spent up to now is 73.8 secs Computing kpt #: 129 total cpu time spent up to now is 74.3 secs Computing kpt #: 130 total cpu time spent up to now is 74.9 secs Computing kpt #: 131 total cpu time spent up to now is 75.4 secs Computing kpt #: 132 total cpu time spent up to now is 75.9 secs Computing kpt #: 133 total cpu time spent up to now is 76.5 secs Computing kpt #: 134 total cpu time spent up to now is 77.0 secs Computing kpt #: 135 total cpu time spent up to now is 77.5 secs Computing kpt #: 136 total cpu time spent up to now is 78.1 secs Computing kpt #: 137 total cpu time spent up to now is 78.6 secs Computing kpt #: 138 total cpu time spent up to now is 79.1 secs Computing kpt #: 139 total cpu time spent up to now is 79.6 secs Computing kpt #: 140 total cpu time spent up to now is 80.1 secs Computing kpt #: 141 total cpu time spent up to now is 80.6 secs Computing kpt #: 142 total cpu time spent up to now is 81.1 secs Computing kpt #: 143 total cpu time spent up to now is 81.6 secs Computing kpt #: 144 total cpu time spent up to now is 82.1 secs Computing kpt #: 145 total cpu time spent up to now is 82.6 secs Computing kpt #: 146 total cpu time spent up to now is 83.1 secs Computing kpt #: 147 total cpu time spent up to now is 83.6 secs Computing kpt #: 148 total cpu time spent up to now is 84.2 secs Computing kpt #: 149 total cpu time spent up to now is 84.7 secs Computing kpt #: 150 total cpu time spent up to now is 85.2 secs Computing kpt #: 151 total cpu time spent up to now is 85.7 secs Computing kpt #: 152 total cpu time spent up to now is 86.2 secs Computing kpt #: 153 total cpu time spent up to now is 86.7 secs Computing kpt #: 154 total cpu time spent up to now is 87.3 secs Computing kpt #: 155 total cpu time spent up to now is 87.8 secs Computing kpt #: 156 total cpu time spent up to now is 88.3 secs Computing kpt #: 157 total cpu time spent up to now is 88.9 secs Computing kpt #: 158 total cpu time spent up to now is 89.4 secs Computing kpt #: 159 total cpu time spent up to now is 90.0 secs Computing kpt #: 160 total cpu time spent up to now is 90.5 secs Computing kpt #: 161 total cpu time spent up to now is 91.1 secs Computing kpt #: 162 total cpu time spent up to now is 91.6 secs Computing kpt #: 163 total cpu time spent up to now is 92.2 secs Computing kpt #: 164 total cpu time spent up to now is 92.7 secs Computing kpt #: 165 total cpu time spent up to now is 93.3 secs Computing kpt #: 166 total cpu time spent up to now is 93.8 secs Computing kpt #: 167 total cpu time spent up to now is 94.4 secs Computing kpt #: 168 total cpu time spent up to now is 94.9 secs Computing kpt #: 169 total cpu time spent up to now is 95.5 secs Computing kpt #: 170 total cpu time spent up to now is 96.0 secs Computing kpt #: 171 total cpu time spent up to now is 96.6 secs Computing kpt #: 172 total cpu time spent up to now is 97.1 secs Computing kpt #: 173 total cpu time spent up to now is 97.7 secs Computing kpt #: 174 total cpu time spent up to now is 98.2 secs Computing kpt #: 175 total cpu time spent up to now is 98.8 secs Computing kpt #: 176 total cpu time spent up to now is 99.4 secs Computing kpt #: 177 total cpu time spent up to now is 100.1 secs Computing kpt #: 178 total cpu time spent up to now is 101.0 secs Computing kpt #: 179 total cpu time spent up to now is 101.6 secs Computing kpt #: 180 total cpu time spent up to now is 102.1 secs Computing kpt #: 181 total cpu time spent up to now is 102.7 secs Computing kpt #: 182 total cpu time spent up to now is 103.2 secs Computing kpt #: 183 total cpu time spent up to now is 103.8 secs Computing kpt #: 184 total cpu time spent up to now is 104.3 secs Computing kpt #: 185 total cpu time spent up to now is 104.8 secs Computing kpt #: 186 total cpu time spent up to now is 105.4 secs Computing kpt #: 187 total cpu time spent up to now is 105.9 secs Computing kpt #: 188 total cpu time spent up to now is 106.5 secs Computing kpt #: 189 total cpu time spent up to now is 107.0 secs Computing kpt #: 190 total cpu time spent up to now is 107.6 secs Computing kpt #: 191 total cpu time spent up to now is 108.1 secs Computing kpt #: 192 total cpu time spent up to now is 108.7 secs Computing kpt #: 193 total cpu time spent up to now is 109.2 secs Computing kpt #: 194 total cpu time spent up to now is 109.7 secs Computing kpt #: 195 total cpu time spent up to now is 110.3 secs Computing kpt #: 196 total cpu time spent up to now is 110.8 secs Computing kpt #: 197 total cpu time spent up to now is 111.4 secs Computing kpt #: 198 total cpu time spent up to now is 111.9 secs Computing kpt #: 199 total cpu time spent up to now is 112.4 secs Computing kpt #: 200 total cpu time spent up to now is 113.0 secs Computing kpt #: 201 total cpu time spent up to now is 113.5 secs Computing kpt #: 202 total cpu time spent up to now is 114.0 secs Computing kpt #: 203 total cpu time spent up to now is 114.5 secs Computing kpt #: 204 total cpu time spent up to now is 115.1 secs Computing kpt #: 205 total cpu time spent up to now is 115.6 secs Computing kpt #: 206 total cpu time spent up to now is 116.1 secs Computing kpt #: 207 total cpu time spent up to now is 116.7 secs Computing kpt #: 208 total cpu time spent up to now is 117.2 secs Computing kpt #: 209 total cpu time spent up to now is 117.7 secs Computing kpt #: 210 total cpu time spent up to now is 118.3 secs Computing kpt #: 211 total cpu time spent up to now is 118.8 secs Computing kpt #: 212 total cpu time spent up to now is 119.3 secs Computing kpt #: 213 total cpu time spent up to now is 119.9 secs Computing kpt #: 214 total cpu time spent up to now is 120.4 secs Computing kpt #: 215 total cpu time spent up to now is 121.0 secs Computing kpt #: 216 total cpu time spent up to now is 121.5 secs Computing kpt #: 217 total cpu time spent up to now is 122.0 secs Computing kpt #: 218 total cpu time spent up to now is 122.6 secs Computing kpt #: 219 total cpu time spent up to now is 123.1 secs Computing kpt #: 220 total cpu time spent up to now is 123.7 secs Computing kpt #: 221 total cpu time spent up to now is 124.2 secs Computing kpt #: 222 total cpu time spent up to now is 124.7 secs Computing kpt #: 223 total cpu time spent up to now is 125.3 secs Computing kpt #: 224 total cpu time spent up to now is 125.8 secs Computing kpt #: 225 total cpu time spent up to now is 126.3 secs Computing kpt #: 226 total cpu time spent up to now is 126.9 secs Computing kpt #: 227 total cpu time spent up to now is 127.4 secs Computing kpt #: 228 total cpu time spent up to now is 128.0 secs Computing kpt #: 229 total cpu time spent up to now is 128.5 secs Computing kpt #: 230 total cpu time spent up to now is 129.1 secs Computing kpt #: 231 total cpu time spent up to now is 129.6 secs Computing kpt #: 232 total cpu time spent up to now is 130.2 secs Computing kpt #: 233 total cpu time spent up to now is 130.8 secs Computing kpt #: 234 total cpu time spent up to now is 131.3 secs Computing kpt #: 235 total cpu time spent up to now is 131.9 secs Computing kpt #: 236 total cpu time spent up to now is 132.5 secs Computing kpt #: 237 total cpu time spent up to now is 133.1 secs Computing kpt #: 238 total cpu time spent up to now is 133.7 secs Computing kpt #: 239 total cpu time spent up to now is 134.2 secs Computing kpt #: 240 total cpu time spent up to now is 134.8 secs Computing kpt #: 241 total cpu time spent up to now is 135.4 secs Computing kpt #: 242 total cpu time spent up to now is 136.0 secs Computing kpt #: 243 total cpu time spent up to now is 136.6 secs Computing kpt #: 244 total cpu time spent up to now is 137.2 secs Computing kpt #: 245 total cpu time spent up to now is 137.8 secs Computing kpt #: 246 total cpu time spent up to now is 138.4 secs Computing kpt #: 247 total cpu time spent up to now is 139.0 secs Computing kpt #: 248 total cpu time spent up to now is 139.5 secs Computing kpt #: 249 total cpu time spent up to now is 140.1 secs Computing kpt #: 250 total cpu time spent up to now is 140.7 secs Computing kpt #: 251 total cpu time spent up to now is 141.3 secs Computing kpt #: 252 total cpu time spent up to now is 141.9 secs Computing kpt #: 253 total cpu time spent up to now is 142.5 secs Computing kpt #: 254 total cpu time spent up to now is 143.1 secs Computing kpt #: 255 total cpu time spent up to now is 143.7 secs Computing kpt #: 256 total cpu time spent up to now is 144.3 secs Computing kpt #: 257 total cpu time spent up to now is 144.9 secs Computing kpt #: 258 total cpu time spent up to now is 145.5 secs Computing kpt #: 259 total cpu time spent up to now is 146.0 secs Computing kpt #: 260 total cpu time spent up to now is 146.6 secs Computing kpt #: 261 total cpu time spent up to now is 147.2 secs Computing kpt #: 262 total cpu time spent up to now is 147.8 secs Computing kpt #: 263 total cpu time spent up to now is 148.3 secs Computing kpt #: 264 total cpu time spent up to now is 148.9 secs Computing kpt #: 265 total cpu time spent up to now is 149.4 secs Computing kpt #: 266 total cpu time spent up to now is 150.0 secs Computing kpt #: 267 total cpu time spent up to now is 150.6 secs Computing kpt #: 268 total cpu time spent up to now is 151.1 secs Computing kpt #: 269 total cpu time spent up to now is 151.7 secs Computing kpt #: 270 total cpu time spent up to now is 152.2 secs Computing kpt #: 271 total cpu time spent up to now is 152.8 secs Computing kpt #: 272 total cpu time spent up to now is 153.3 secs Computing kpt #: 273 total cpu time spent up to now is 153.9 secs Computing kpt #: 274 total cpu time spent up to now is 154.4 secs Computing kpt #: 275 total cpu time spent up to now is 155.0 secs Computing kpt #: 276 total cpu time spent up to now is 155.5 secs Computing kpt #: 277 total cpu time spent up to now is 156.1 secs Computing kpt #: 278 total cpu time spent up to now is 156.6 secs Computing kpt #: 279 total cpu time spent up to now is 157.1 secs Computing kpt #: 280 total cpu time spent up to now is 157.7 secs Computing kpt #: 281 total cpu time spent up to now is 158.2 secs Computing kpt #: 282 total cpu time spent up to now is 158.7 secs Computing kpt #: 283 total cpu time spent up to now is 159.3 secs Computing kpt #: 284 total cpu time spent up to now is 159.8 secs Computing kpt #: 285 total cpu time spent up to now is 160.3 secs Computing kpt #: 286 total cpu time spent up to now is 160.9 secs Computing kpt #: 287 total cpu time spent up to now is 161.4 secs Computing kpt #: 288 total cpu time spent up to now is 161.9 secs Computing kpt #: 289 total cpu time spent up to now is 162.4 secs Computing kpt #: 290 total cpu time spent up to now is 162.9 secs Computing kpt #: 291 total cpu time spent up to now is 163.5 secs Computing kpt #: 292 total cpu time spent up to now is 164.0 secs Computing kpt #: 293 total cpu time spent up to now is 164.5 secs Computing kpt #: 294 total cpu time spent up to now is 165.0 secs Computing kpt #: 295 total cpu time spent up to now is 165.6 secs Computing kpt #: 296 total cpu time spent up to now is 166.1 secs Computing kpt #: 297 total cpu time spent up to now is 166.6 secs Computing kpt #: 298 total cpu time spent up to now is 167.1 secs Computing kpt #: 299 total cpu time spent up to now is 167.7 secs Computing kpt #: 300 total cpu time spent up to now is 168.2 secs Computing kpt #: 301 total cpu time spent up to now is 168.7 secs Computing kpt #: 302 total cpu time spent up to now is 169.3 secs Computing kpt #: 303 total cpu time spent up to now is 169.8 secs Computing kpt #: 304 total cpu time spent up to now is 170.3 secs Computing kpt #: 305 total cpu time spent up to now is 170.8 secs Computing kpt #: 306 total cpu time spent up to now is 171.3 secs Computing kpt #: 307 total cpu time spent up to now is 171.9 secs Computing kpt #: 308 total cpu time spent up to now is 172.5 secs Computing kpt #: 309 total cpu time spent up to now is 173.0 secs Computing kpt #: 310 total cpu time spent up to now is 173.6 secs Computing kpt #: 311 total cpu time spent up to now is 174.2 secs Computing kpt #: 312 total cpu time spent up to now is 174.7 secs Computing kpt #: 313 total cpu time spent up to now is 175.3 secs Computing kpt #: 314 total cpu time spent up to now is 175.9 secs Computing kpt #: 315 total cpu time spent up to now is 176.5 secs Computing kpt #: 316 total cpu time spent up to now is 177.0 secs Computing kpt #: 317 total cpu time spent up to now is 177.7 secs Computing kpt #: 318 total cpu time spent up to now is 178.3 secs Computing kpt #: 319 total cpu time spent up to now is 178.8 secs Computing kpt #: 320 total cpu time spent up to now is 179.4 secs Computing kpt #: 321 total cpu time spent up to now is 180.0 secs Computing kpt #: 322 total cpu time spent up to now is 180.6 secs Computing kpt #: 323 total cpu time spent up to now is 181.2 secs ethr = 2.94E-08, avg # of iterations = 12.1 total cpu time spent up to now is 181.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4573 -6.4573 -5.3671 -5.3671 2.1086 2.1086 4.5351 4.5351 4.6752 4.6752 6.1024 6.1024 6.8523 6.8523 7.1047 7.1047 7.3811 7.3811 7.3869 7.3869 7.7193 7.7193 9.8057 9.8057 9.9373 9.9373 k = 0.0100-0.0173-0.0105 ( 5165 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4564 -6.4564 -5.3669 -5.3669 2.1099 2.1099 4.5335 4.5335 4.6736 4.6736 6.1038 6.1038 6.8434 6.8434 7.0898 7.0898 7.3909 7.3909 7.3922 7.3922 7.7208 7.7208 9.8021 9.8021 9.9331 9.9331 k = 0.0200-0.0346-0.0209 ( 5159 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6243 -16.6243 -6.4538 -6.4538 -5.3660 -5.3660 2.1136 2.1136 4.5287 4.5287 4.6690 4.6690 6.1079 6.1079 6.8174 6.8174 7.0507 7.0507 7.4056 7.4056 7.4163 7.4163 7.7254 7.7254 9.7912 9.7912 9.9216 9.9216 k = 0.0300-0.0519-0.0314 ( 5160 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6400 -30.6400 -16.8056 -16.8056 -16.6299 -16.6299 -16.6243 -16.6243 -6.4495 -6.4495 -5.3645 -5.3645 2.1199 2.1199 4.5198 4.5198 4.6625 4.6625 6.1140 6.1140 6.7760 6.7760 6.9977 6.9977 7.4245 7.4245 7.4488 7.4488 7.7331 7.7331 9.7713 9.7713 9.9050 9.9050 k = 0.0400-0.0692-0.0419 ( 5169 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5802 -31.5802 -30.8169 -30.8169 -30.6400 -30.6400 -16.8057 -16.8057 -16.6299 -16.6299 -16.6245 -16.6245 -6.4434 -6.4434 -5.3624 -5.3624 2.1286 2.1286 4.5060 4.5060 4.6553 4.6553 6.1213 6.1213 6.7209 6.7209 6.9383 6.9383 7.4446 7.4446 7.4848 7.4848 7.7439 7.7439 9.7410 9.7410 9.8864 9.8864 k = 0.0500-0.0865-0.0523 ( 5175 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5803 -31.5803 -30.8171 -30.8171 -30.6400 -30.6400 -16.8058 -16.8058 -16.6300 -16.6300 -16.6247 -16.6247 -6.4356 -6.4356 -5.3598 -5.3598 2.1397 2.1397 4.4864 4.4864 4.6489 4.6489 6.1282 6.1282 6.6543 6.6543 6.8773 6.8773 7.4627 7.4627 7.5228 7.5228 7.7576 7.7576 9.7003 9.7003 9.8680 9.8680 k = 0.0600-0.1038-0.0628 ( 5173 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5804 -31.5804 -30.8173 -30.8173 -30.6400 -30.6400 -16.8059 -16.8059 -16.6300 -16.6300 -16.6249 -16.6249 -6.4261 -6.4261 -5.3566 -5.3566 2.1533 2.1533 4.4607 4.4607 4.6440 4.6440 6.1322 6.1322 6.5791 6.5791 6.8171 6.8171 7.4770 7.4770 7.5621 7.5621 7.7740 7.7740 9.6506 9.6506 9.8504 9.8504 k = 0.0700-0.1211-0.0733 ( 5166 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5805 -31.5805 -30.8174 -30.8174 -30.6400 -30.6400 -16.8060 -16.8060 -16.6300 -16.6300 -16.6251 -16.6251 -6.4149 -6.4149 -5.3528 -5.3528 2.1694 2.1694 4.4292 4.4292 4.6411 4.6411 6.1290 6.1290 6.5005 6.5005 6.7590 6.7590 7.4872 7.4872 7.6020 7.6020 7.7924 7.7924 9.5945 9.5945 9.8334 9.8334 k = 0.0800-0.1384-0.0838 ( 5173 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5807 -31.5807 -30.8177 -30.8177 -30.6400 -30.6400 -16.8061 -16.8061 -16.6301 -16.6301 -16.6254 -16.6254 -6.4020 -6.4020 -5.3485 -5.3485 2.1878 2.1878 4.3926 4.3926 4.6399 4.6399 6.1111 6.1111 6.4270 6.4270 6.7031 6.7031 7.4936 7.4936 7.6418 7.6418 7.8125 7.8125 9.5343 9.5343 9.8167 9.8167 k = 0.0900-0.1557-0.0942 ( 5175 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5809 -31.5809 -30.8179 -30.8179 -30.6400 -30.6400 -16.8063 -16.8063 -16.6302 -16.6302 -16.6257 -16.6257 -6.3875 -6.3875 -5.3437 -5.3437 2.2085 2.2085 4.3516 4.3516 4.6402 4.6402 6.0685 6.0685 6.3692 6.3692 6.6496 6.6496 7.4968 7.4968 7.6810 7.6810 7.8336 7.8336 9.4722 9.4722 9.7999 9.7999 k = 0.1000-0.1730-0.1047 ( 5169 PWs) bands (ev): -57.1855 -57.1855 -44.7608 -44.7608 -31.5810 -31.5810 -30.8182 -30.8182 -30.6400 -30.6400 -16.8065 -16.8065 -16.6302 -16.6302 -16.6260 -16.6260 -6.3714 -6.3714 -5.3384 -5.3384 2.2316 2.2316 4.3072 4.3072 4.6418 4.6418 5.9964 5.9964 6.3323 6.3323 6.5990 6.5990 7.4973 7.4973 7.7191 7.7191 7.8556 7.8556 9.4099 9.4099 9.7832 9.7832 k = 0.1100-0.1903-0.1152 ( 5170 PWs) bands (ev): -57.1855 -57.1855 -44.7608 -44.7608 -31.5812 -31.5812 -30.8185 -30.8185 -30.6400 -30.6400 -16.8067 -16.8067 -16.6303 -16.6303 -16.6263 -16.6263 -6.3538 -6.3538 -5.3325 -5.3325 2.2569 2.2569 4.2599 4.2599 4.6443 4.6443 5.9010 5.9010 6.3096 6.3096 6.5518 6.5518 7.4955 7.4955 7.7556 7.7556 7.8780 7.8780 9.3488 9.3488 9.7665 9.7665 k = 0.1200-0.2076-0.1256 ( 5176 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5815 -31.5815 -30.8189 -30.8189 -30.6400 -30.6400 -16.8069 -16.8069 -16.6305 -16.6305 -16.6266 -16.6266 -6.3346 -6.3346 -5.3262 -5.3262 2.2844 2.2844 4.2105 4.2105 4.6476 4.6476 5.7915 5.7915 6.2912 6.2912 6.5092 6.5092 7.4918 7.4918 7.7903 7.7903 7.9007 7.9007 9.2902 9.2902 9.7500 9.7500 k = 0.1300-0.2249-0.1361 ( 5176 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5817 -31.5817 -30.8192 -30.8192 -30.6400 -30.6400 -16.8071 -16.8071 -16.6306 -16.6306 -16.6269 -16.6269 -6.3139 -6.3139 -5.3195 -5.3195 2.3140 2.3140 4.1593 4.1593 4.6515 4.6515 5.6739 5.6739 6.2704 6.2704 6.4720 6.4720 7.4866 7.4866 7.8229 7.8229 7.9237 7.9237 9.2351 9.2351 9.7339 9.7339 k = 0.1400-0.2422-0.1466 ( 5179 PWs) bands (ev): -57.1854 -57.1854 -44.7607 -44.7607 -31.5820 -31.5820 -30.8196 -30.8196 -30.6401 -30.6401 -16.8074 -16.8074 -16.6309 -16.6309 -16.6272 -16.6272 -6.2918 -6.2918 -5.3124 -5.3124 2.3456 2.3456 4.1069 4.1069 4.6558 4.6558 5.5515 5.5515 6.2438 6.2438 6.4405 6.4405 7.4800 7.4800 7.8534 7.8534 7.9466 7.9466 9.1843 9.1843 9.7184 9.7184 k = 0.1500-0.2596-0.1570 ( 5175 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5822 -31.5822 -30.8200 -30.8200 -30.6400 -30.6400 -16.8076 -16.8076 -16.6311 -16.6311 -16.6274 -16.6274 -6.2682 -6.2682 -5.3048 -5.3048 2.3793 2.3793 4.0536 4.0536 4.6606 4.6606 5.4264 5.4264 6.2108 6.2108 6.4134 6.4134 7.4724 7.4724 7.8815 7.8815 7.9693 7.9693 9.1384 9.1384 9.7038 9.7038 k = 0.1600-0.2769-0.1675 ( 5183 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5825 -31.5825 -30.8205 -30.8205 -30.6401 -30.6401 -16.8079 -16.8079 -16.6315 -16.6315 -16.6277 -16.6277 -6.2433 -6.2433 -5.2969 -5.2969 2.4147 2.4147 3.9997 3.9997 4.6657 4.6657 5.2998 5.2998 6.1728 6.1728 6.3884 6.3884 7.4637 7.4637 7.9073 7.9073 7.9918 7.9918 9.0979 9.0979 9.6902 9.6902 k = 0.1700-0.2942-0.1780 ( 5174 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5828 -31.5828 -30.8209 -30.8209 -30.6400 -30.6400 -16.8082 -16.8082 -16.6318 -16.6318 -16.6279 -16.6279 -6.2172 -6.2172 -5.2887 -5.2887 2.4520 2.4520 3.9454 3.9454 4.6709 4.6709 5.1729 5.1729 6.1314 6.1314 6.3630 6.3630 7.4544 7.4544 7.9308 7.9308 8.0140 8.0140 9.0631 9.0631 9.6778 9.6778 k = 0.1800-0.3115-0.1884 ( 5173 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5830 -31.5830 -30.8213 -30.8213 -30.6400 -30.6400 -16.8084 -16.8084 -16.6322 -16.6322 -16.6280 -16.6280 -6.1898 -6.1898 -5.2802 -5.2802 2.4908 2.4908 3.8910 3.8910 4.6762 4.6762 5.0462 5.0462 6.0882 6.0882 6.3355 6.3355 7.4444 7.4444 7.9518 7.9518 8.0358 8.0358 9.0342 9.0342 9.6668 9.6668 k = 0.1900-0.3288-0.1989 ( 5175 PWs) bands (ev): -57.1851 -57.1851 -44.7606 -44.7606 -31.5834 -31.5834 -30.8218 -30.8218 -30.6400 -30.6400 -16.8088 -16.8088 -16.6327 -16.6327 -16.6282 -16.6282 -6.1612 -6.1612 -5.2715 -5.2715 2.5311 2.5311 3.8368 3.8368 4.6814 4.6814 4.9207 4.9207 6.0442 6.0442 6.3047 6.3047 7.4340 7.4340 7.9702 7.9702 8.0573 8.0573 9.0111 9.0111 9.6573 9.6573 k = 0.2000-0.3461-0.2094 ( 5175 PWs) bands (ev): -57.1851 -57.1851 -44.7605 -44.7605 -31.5837 -31.5837 -30.8223 -30.8223 -30.6400 -30.6400 -16.8091 -16.8091 -16.6332 -16.6332 -16.6282 -16.6282 -6.1315 -6.1315 -5.2626 -5.2626 2.5726 2.5726 3.7828 3.7828 4.6856 4.6856 4.7977 4.7977 6.0000 6.0000 6.2700 6.2700 7.4234 7.4234 7.9859 7.9859 8.0786 8.0786 8.9936 8.9936 9.6493 9.6493 k = 0.2100-0.3634-0.2199 ( 5174 PWs) bands (ev): -57.1851 -57.1851 -44.7605 -44.7605 -31.5840 -31.5840 -30.8228 -30.8228 -30.6400 -30.6400 -16.8094 -16.8094 -16.6338 -16.6338 -16.6283 -16.6283 -6.1009 -6.1009 -5.2535 -5.2535 2.6152 2.6152 3.7292 3.7292 4.6632 4.6632 4.7033 4.7033 5.9560 5.9560 6.2313 6.2313 7.4127 7.4127 7.9989 7.9989 8.0996 8.0996 8.9815 8.9815 9.6430 9.6430 k = 0.2200-0.3807-0.2303 ( 5171 PWs) bands (ev): -57.1850 -57.1850 -44.7604 -44.7604 -31.5843 -31.5843 -30.8233 -30.8233 -30.6400 -30.6400 -16.8097 -16.8097 -16.6344 -16.6344 -16.6284 -16.6284 -6.0693 -6.0693 -5.2443 -5.2443 2.6584 2.6584 3.6763 3.6763 4.5510 4.5510 4.7013 4.7013 5.9125 5.9125 6.1887 6.1887 7.4020 7.4020 8.0091 8.0091 8.1203 8.1203 8.9745 8.9745 9.6383 9.6383 k = 0.2300-0.3980-0.2408 ( 5177 PWs) bands (ev): -57.1850 -57.1850 -44.7604 -44.7604 -31.5846 -31.5846 -30.8238 -30.8238 -30.6400 -30.6400 -16.8101 -16.8101 -16.6350 -16.6350 -16.6284 -16.6284 -6.0368 -6.0368 -5.2351 -5.2351 2.7019 2.7019 3.6241 3.6241 4.4353 4.4353 4.7057 4.7057 5.8697 5.8697 6.1424 6.1424 7.3913 7.3913 8.0166 8.0166 8.1407 8.1407 8.9721 8.9721 9.6352 9.6352 k = 0.2400-0.4153-0.2513 ( 5188 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5850 -31.5850 -30.8243 -30.8243 -30.6400 -30.6400 -16.8105 -16.8105 -16.6356 -16.6356 -16.6284 -16.6284 -6.0036 -6.0036 -5.2258 -5.2258 2.7451 2.7451 3.5729 3.5729 4.3229 4.3229 4.7105 4.7105 5.8275 5.8275 6.0929 6.0929 7.3809 7.3809 8.0216 8.0216 8.1606 8.1606 8.9739 8.9739 9.6336 9.6336 k = 0.2500-0.4326-0.2617 ( 5192 PWs) bands (ev): -57.1849 -57.1849 -44.7603 -44.7603 -31.5854 -31.5854 -30.8248 -30.8248 -30.6400 -30.6400 -16.8108 -16.8108 -16.6363 -16.6363 -16.6285 -16.6285 -5.9696 -5.9696 -5.2166 -5.2166 2.7874 2.7874 3.5232 3.5232 4.2148 4.2148 4.7152 4.7152 5.7860 5.7860 6.0409 6.0409 7.3707 7.3707 8.0242 8.0242 8.1798 8.1798 8.9795 8.9795 9.6334 9.6334 k = 0.2600-0.4499-0.2722 ( 5194 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5857 -31.5857 -30.8254 -30.8254 -30.6400 -30.6400 -16.8112 -16.8112 -16.6369 -16.6369 -16.6285 -16.6285 -5.9351 -5.9351 -5.2076 -5.2076 2.8274 2.8274 3.4754 3.4754 4.1118 4.1118 4.7196 4.7196 5.7450 5.7450 5.9872 5.9872 7.3609 7.3609 8.0246 8.0246 8.1980 8.1980 8.9886 8.9886 9.6346 9.6346 k = 0.2700-0.4672-0.2827 ( 5197 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5860 -31.5860 -30.8259 -30.8259 -30.6400 -30.6400 -16.8115 -16.8115 -16.6376 -16.6376 -16.6285 -16.6285 -5.9001 -5.9001 -5.1987 -5.1987 2.8637 2.8637 3.4305 3.4305 4.0150 4.0150 4.7236 4.7236 5.7042 5.7042 5.9325 5.9325 7.3514 7.3514 8.0231 8.0231 8.2148 8.2148 9.0008 9.0008 9.6369 9.6369 k = 0.2800-0.4845-0.2931 ( 5197 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5864 -31.5864 -30.8264 -30.8264 -30.6400 -30.6400 -16.8119 -16.8119 -16.6382 -16.6382 -16.6285 -16.6285 -5.8648 -5.8648 -5.1901 -5.1901 2.8938 2.8938 3.3902 3.3902 3.9253 3.9253 4.7273 4.7273 5.6631 5.6631 5.8781 5.8781 7.3422 7.3422 8.0199 8.0199 8.2302 8.2302 9.0159 9.0159 9.6403 9.6403 k = 0.2900-0.5018-0.3036 ( 5201 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5867 -31.5867 -30.8269 -30.8269 -30.6400 -30.6400 -16.8123 -16.8123 -16.6388 -16.6388 -16.6285 -16.6285 -5.8291 -5.8291 -5.1818 -5.1818 2.9143 2.9143 3.3566 3.3566 3.8440 3.8440 4.7305 4.7305 5.6211 5.6211 5.8249 5.8249 7.3335 7.3335 8.0153 8.0153 8.2436 8.2436 9.0335 9.0335 9.6445 9.6445 k = 0.3000-0.5191-0.3141 ( 5195 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5870 -31.5870 -30.8274 -30.8274 -30.6400 -30.6400 -16.8126 -16.8126 -16.6394 -16.6394 -16.6284 -16.6284 -5.7933 -5.7933 -5.1738 -5.1738 2.9213 2.9213 3.3323 3.3323 3.7727 3.7727 4.7332 4.7332 5.5774 5.5774 5.7744 5.7744 7.3252 7.3252 8.0095 8.0095 8.2550 8.2550 9.0534 9.0534 9.6495 9.6495 k = 0.3100-0.5364-0.3246 ( 5191 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5873 -31.5873 -30.8278 -30.8278 -30.6400 -30.6400 -16.8129 -16.8129 -16.6400 -16.6400 -16.6284 -16.6284 -5.7574 -5.7574 -5.1663 -5.1663 2.9121 2.9121 3.3179 3.3179 3.7136 3.7136 4.7354 4.7354 5.5312 5.5312 5.7277 5.7277 7.3172 7.3172 8.0027 8.0027 8.2642 8.2642 9.0754 9.0754 9.6550 9.6550 k = 0.3200-0.5537-0.3350 ( 5190 PWs) bands (ev): -57.1845 -57.1845 -44.7601 -44.7601 -31.5876 -31.5876 -30.8283 -30.8283 -30.6400 -30.6400 -16.8133 -16.8133 -16.6406 -16.6406 -16.6284 -16.6284 -5.7216 -5.7216 -5.1594 -5.1594 2.8868 2.8868 3.3105 3.3105 3.6695 3.6695 4.7370 4.7370 5.4821 5.4821 5.6857 5.6857 7.3097 7.3097 7.9952 7.9952 8.2709 8.2709 9.0993 9.0993 9.6610 9.6610 k = 0.3300-0.5710-0.3455 ( 5199 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5879 -31.5879 -30.8288 -30.8288 -30.6400 -30.6400 -16.8136 -16.8136 -16.6412 -16.6412 -16.6284 -16.6284 -5.6860 -5.6860 -5.1530 -5.1530 2.8486 2.8486 3.3041 3.3041 3.6434 3.6434 4.7381 4.7381 5.4301 5.4301 5.6487 5.6487 7.3025 7.3025 7.9870 7.9870 8.2750 8.2750 9.1247 9.1247 9.6673 9.6673 k = 0.3400-0.5883-0.3560 ( 5206 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5882 -31.5882 -30.8292 -30.8292 -30.6400 -30.6400 -16.8140 -16.8140 -16.6417 -16.6417 -16.6284 -16.6284 -5.6507 -5.6507 -5.1474 -5.1474 2.8013 2.8013 3.2931 3.2931 3.6370 3.6370 4.7387 4.7387 5.3759 5.3759 5.6165 5.6165 7.2958 7.2958 7.9785 7.9785 8.2768 8.2768 9.1515 9.1515 9.6737 9.6737 k = 0.3500-0.6056-0.3664 ( 5211 PWs) bands (ev): -57.1844 -57.1844 -44.7600 -44.7600 -31.5885 -31.5885 -30.8297 -30.8297 -30.6400 -30.6400 -16.8143 -16.8143 -16.6423 -16.6423 -16.6283 -16.6283 -5.6158 -5.6158 -5.1425 -5.1425 2.7486 2.7486 3.2756 3.2756 3.6488 3.6488 4.7388 4.7388 5.3200 5.3200 5.5885 5.5885 7.2894 7.2894 7.9697 7.9697 8.2761 8.2761 9.1795 9.1795 9.6802 9.6802 k = 0.3600-0.6229-0.3769 ( 5215 PWs) bands (ev): -57.1844 -57.1844 -44.7599 -44.7599 -31.5888 -31.5888 -30.8301 -30.8301 -30.6400 -30.6400 -16.8146 -16.8146 -16.6428 -16.6428 -16.6283 -16.6283 -5.5814 -5.5814 -5.1384 -5.1384 2.6931 2.6931 3.2531 3.2531 3.6744 3.6744 4.7384 4.7384 5.2634 5.2634 5.5641 5.5641 7.2835 7.2835 7.9609 7.9609 8.2732 8.2732 9.2082 9.2082 9.6867 9.6867 k = 0.3700-0.6402-0.3874 ( 5220 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5891 -31.5891 -30.8305 -30.8305 -30.6400 -30.6400 -16.8149 -16.8149 -16.6432 -16.6432 -16.6283 -16.6283 -5.5477 -5.5477 -5.1352 -5.1352 2.6368 2.6368 3.2282 3.2282 3.7094 3.7094 4.7376 4.7376 5.2067 5.2067 5.5430 5.5430 7.2780 7.2780 7.9521 7.9521 8.2682 8.2682 9.2374 9.2374 9.6931 9.6931 k = 0.3800-0.6575-0.3978 ( 5218 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5893 -31.5893 -30.8308 -30.8308 -30.6400 -30.6400 -16.8152 -16.8152 -16.6437 -16.6437 -16.6283 -16.6283 -5.5148 -5.5148 -5.1331 -5.1331 2.5812 2.5812 3.2029 3.2029 3.7503 3.7503 4.7364 4.7364 5.1505 5.1505 5.5245 5.5245 7.2729 7.2729 7.9436 7.9436 8.2615 8.2615 9.2666 9.2666 9.6992 9.6992 k = 0.3900-0.6748-0.4083 ( 5215 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5895 -31.5895 -30.8311 -30.8311 -30.6400 -30.6400 -16.8154 -16.8154 -16.6441 -16.6441 -16.6283 -16.6283 -5.4828 -5.4828 -5.1320 -5.1320 2.5274 2.5274 3.1784 3.1784 3.7947 3.7947 4.7348 4.7348 5.0953 5.0953 5.5085 5.5085 7.2682 7.2682 7.9354 7.9354 8.2534 8.2534 9.2957 9.2957 9.7051 9.7051 k = 0.4000-0.6921-0.4188 ( 5209 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5897 -31.5897 -30.8314 -30.8314 -30.6400 -30.6400 -16.8156 -16.8156 -16.6445 -16.6445 -16.6282 -16.6282 -5.4518 -5.4518 -5.1320 -5.1320 2.4763 2.4763 3.1555 3.1555 3.8409 3.8409 4.7330 4.7330 5.0413 5.0413 5.4946 5.4946 7.2639 7.2639 7.9276 7.9276 8.2442 8.2442 9.3240 9.3240 9.7106 9.7106 k = 0.4100-0.7094-0.4292 ( 5213 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5899 -31.5899 -30.8317 -30.8317 -30.6400 -30.6400 -16.8159 -16.8159 -16.6448 -16.6448 -16.6282 -16.6282 -5.4219 -5.4219 -5.1333 -5.1333 2.4285 2.4285 3.1345 3.1345 3.8878 3.8878 4.7310 4.7310 4.9890 4.9890 5.4826 5.4826 7.2600 7.2600 7.9202 7.9202 8.2342 8.2342 9.3513 9.3513 9.7157 9.7157 k = 0.4200-0.7267-0.4397 ( 5211 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5901 -31.5901 -30.8320 -30.8320 -30.6400 -30.6400 -16.8160 -16.8160 -16.6451 -16.6451 -16.6282 -16.6282 -5.3933 -5.3933 -5.1358 -5.1358 2.3846 2.3846 3.1156 3.1156 3.9345 3.9345 4.7289 4.7289 4.9388 4.9388 5.4723 5.4723 7.2564 7.2564 7.9135 7.9135 8.2241 8.2241 9.3772 9.3772 9.7205 9.7205 k = 0.4300-0.7440-0.4502 ( 5211 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5902 -31.5902 -30.8322 -30.8322 -30.6399 -30.6399 -16.8162 -16.8162 -16.6454 -16.6454 -16.6282 -16.6282 -5.3659 -5.3659 -5.1397 -5.1397 2.3449 2.3449 3.0989 3.0989 3.9801 3.9801 4.7266 4.7266 4.8910 4.8910 5.4636 5.4636 7.2533 7.2533 7.9074 7.9074 8.2139 8.2139 9.4012 9.4012 9.7247 9.7247 k = 0.4400-0.7613-0.4607 ( 5211 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5904 -31.5904 -30.8324 -30.8324 -30.6399 -30.6399 -16.8164 -16.8164 -16.6457 -16.6457 -16.6282 -16.6282 -5.3401 -5.3401 -5.1449 -5.1449 2.3100 2.3100 3.0844 3.0844 4.0239 4.0239 4.7242 4.7242 4.8463 4.8463 5.4564 5.4564 7.2506 7.2506 7.9021 7.9021 8.2043 8.2043 9.4229 9.4229 9.7284 9.7284 k = 0.4500-0.7787-0.4711 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5905 -31.5905 -30.8326 -30.8326 -30.6399 -30.6399 -16.8165 -16.8165 -16.6459 -16.6459 -16.6282 -16.6282 -5.3158 -5.3158 -5.1515 -5.1515 2.2799 2.2799 3.0721 3.0721 4.0650 4.0650 4.7212 4.7212 4.8056 4.8056 5.4504 5.4504 7.2483 7.2483 7.8974 7.8974 8.1954 8.1954 9.4420 9.4420 9.7317 9.7317 k = 0.4600-0.7960-0.4816 ( 5210 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5906 -31.5906 -30.8327 -30.8327 -30.6399 -30.6399 -16.8166 -16.8166 -16.6460 -16.6460 -16.6281 -16.6281 -5.2932 -5.2932 -5.1595 -5.1595 2.2551 2.2551 3.0621 3.0621 4.1023 4.1023 4.7170 4.7170 4.7707 4.7707 5.4457 5.4457 7.2464 7.2464 7.8936 7.8936 8.1877 8.1877 9.4582 9.4582 9.7343 9.7343 k = 0.4700-0.8133-0.4921 ( 5212 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5906 -31.5906 -30.8328 -30.8328 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2725 -5.2725 -5.1686 -5.1686 2.2355 2.2355 3.0543 3.0543 4.1342 4.1342 4.7088 4.7088 4.7456 4.7456 5.4420 5.4420 7.2450 7.2450 7.8906 7.8906 8.1814 8.1814 9.4711 9.4711 9.7364 9.7364 k = 0.4800-0.8306-0.5025 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2543 -5.2543 -5.1786 -5.1786 2.2215 2.2215 3.0488 3.0488 4.1593 4.1593 4.6948 4.6948 4.7336 4.7336 5.4395 5.4395 7.2439 7.2439 7.8884 7.8884 8.1768 8.1768 9.4805 9.4805 9.7379 9.7379 k = 0.4900-0.8479-0.5130 ( 5202 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2399 -5.2399 -5.1880 -5.1880 2.2130 2.2130 3.0454 3.0454 4.1754 4.1754 4.6824 4.6824 4.7294 4.7294 5.4380 5.4380 7.2433 7.2433 7.8871 7.8871 8.1739 8.1739 9.4863 9.4863 9.7388 9.7388 k = 0.5000-0.8652-0.5235 ( 5206 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2336 -5.2336 -5.1927 -5.1927 2.2102 2.2102 3.0443 3.0443 4.1809 4.1809 4.6776 4.6776 4.7284 4.7284 5.4375 5.4375 7.2431 7.2431 7.8867 7.8867 8.1730 8.1730 9.4882 9.4882 9.7391 9.7391 k = 0.5000-0.8652-0.5235 ( 5206 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2336 -5.2336 -5.1927 -5.1927 2.2102 2.2102 3.0443 3.0443 4.1809 4.1809 4.6776 4.6776 4.7284 4.7284 5.4375 5.4375 7.2431 7.2431 7.8867 7.8867 8.1730 8.1730 9.4882 9.4882 9.7391 9.7391 k = 0.5000-0.8534-0.5430 ( 5214 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6282 -16.6282 -5.2333 -5.2333 -5.1924 -5.1924 2.2115 2.2115 3.0447 3.0447 4.1808 4.1808 4.6769 4.6769 4.7278 4.7278 5.4309 5.4309 7.2472 7.2472 7.8870 7.8870 8.1726 8.1726 9.4883 9.4883 9.7333 9.7333 k = 0.5000-0.8416-0.5625 ( 5212 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6282 -16.6282 -5.2326 -5.2326 -5.1915 -5.1915 2.2152 2.2152 3.0457 3.0457 4.1803 4.1803 4.6745 4.6745 4.7261 4.7261 5.4115 5.4115 7.2592 7.2592 7.8880 7.8880 8.1716 8.1716 9.4888 9.4888 9.7162 9.7162 k = 0.5000-0.8298-0.5820 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6282 -16.6282 -5.2314 -5.2314 -5.1900 -5.1900 2.2215 2.2215 3.0473 3.0473 4.1793 4.1793 4.6709 4.6709 4.7229 4.7229 5.3803 5.3803 7.2784 7.2784 7.8897 7.8897 8.1699 8.1699 9.4896 9.4896 9.6889 9.6889 k = 0.5000-0.8180-0.6015 ( 5218 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8331 -30.8331 -30.6400 -30.6400 -16.8169 -16.8169 -16.6463 -16.6463 -16.6283 -16.6283 -5.2297 -5.2297 -5.1880 -5.1880 2.2302 2.2302 3.0496 3.0496 4.1776 4.1776 4.6660 4.6660 4.7183 4.7183 5.3386 5.3386 7.3037 7.3037 7.8921 7.8921 8.1676 8.1676 9.4904 9.4904 9.6528 9.6528 k = 0.5000-0.8062-0.6210 ( 5216 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8331 -30.8331 -30.6400 -30.6400 -16.8169 -16.8169 -16.6463 -16.6463 -16.6284 -16.6284 -5.2275 -5.2275 -5.1854 -5.1854 2.2414 2.2414 3.0525 3.0525 4.1750 4.1750 4.6602 4.6602 4.7119 4.7119 5.2883 5.2883 7.3339 7.3339 7.8953 7.8953 8.1647 8.1647 9.4913 9.4913 9.6100 9.6100 k = 0.5000-0.7944-0.6405 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8332 -30.8332 -30.6400 -30.6400 -16.8169 -16.8169 -16.6463 -16.6463 -16.6285 -16.6285 -5.2248 -5.2248 -5.1823 -5.1823 2.2551 2.2551 3.0559 3.0559 4.1711 4.1711 4.6536 4.6536 4.7035 4.7035 5.2314 5.2314 7.3676 7.3676 7.8992 7.8992 8.1611 8.1611 9.4917 9.4917 9.5626 9.5626 k = 0.5000-0.7826-0.6600 ( 5206 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5909 -31.5909 -30.8332 -30.8332 -30.6400 -30.6400 -16.8169 -16.8169 -16.6463 -16.6463 -16.6286 -16.6286 -5.2217 -5.2217 -5.1787 -5.1787 2.2712 2.2712 3.0598 3.0598 4.1652 4.1652 4.6465 4.6465 4.6930 4.6930 5.1700 5.1700 7.4037 7.4037 7.9038 7.9038 8.1568 8.1568 9.4874 9.4874 9.5164 9.5164 k = 0.5000-0.7708-0.6795 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5909 -31.5909 -30.8333 -30.8333 -30.6400 -30.6400 -16.8169 -16.8169 -16.6463 -16.6463 -16.6287 -16.6287 -5.2182 -5.2182 -5.1747 -5.1747 2.2897 2.2897 3.0641 3.0641 4.1567 4.1567 4.6389 4.6389 4.6804 4.6804 5.1063 5.1063 7.4411 7.4411 7.9092 7.9092 8.1520 8.1520 9.4510 9.4510 9.5005 9.5005 k = 0.5000-0.7590-0.6990 ( 5212 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5910 -31.5910 -30.8334 -30.8334 -30.6400 -30.6400 -16.8170 -16.8170 -16.6463 -16.6463 -16.6289 -16.6289 -5.2143 -5.2143 -5.1702 -5.1702 2.3107 2.3107 3.0688 3.0688 4.1445 4.1445 4.6304 4.6304 4.6661 4.6661 5.0427 5.0427 7.4787 7.4787 7.9154 7.9154 8.1467 8.1467 9.3989 9.3989 9.4994 9.4994 k = 0.5000-0.7472-0.7185 ( 5212 PWs) bands (ev): -57.1840 -57.1840 -44.7597 -44.7597 -31.5910 -31.5910 -30.8335 -30.8335 -30.6400 -30.6400 -16.8170 -16.8170 -16.6463 -16.6463 -16.6290 -16.6290 -5.2100 -5.2100 -5.1655 -5.1655 2.3339 2.3339 3.0738 3.0738 4.1278 4.1278 4.6201 4.6201 4.6511 4.6511 4.9815 4.9815 7.5160 7.5160 7.9225 7.9225 8.1408 8.1408 9.3463 9.3463 9.4994 9.4994 k = 0.5000-0.7354-0.7380 ( 5208 PWs) bands (ev): -57.1840 -57.1840 -44.7597 -44.7597 -31.5911 -31.5911 -30.8336 -30.8336 -30.6400 -30.6400 -16.8170 -16.8170 -16.6462 -16.6462 -16.6292 -16.6292 -5.2054 -5.2054 -5.1604 -5.1604 2.3595 2.3595 3.0789 3.0789 4.1051 4.1051 4.6056 4.6056 4.6383 4.6383 4.9246 4.9246 7.5523 7.5523 7.9302 7.9302 8.1346 8.1346 9.2952 9.2952 9.4992 9.4992 k = 0.5000-0.7236-0.7575 ( 5202 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5911 -31.5911 -30.8337 -30.8337 -30.6400 -30.6400 -16.8170 -16.8170 -16.6462 -16.6462 -16.6293 -16.6293 -5.2004 -5.2004 -5.1551 -5.1551 2.3874 2.3874 3.0840 3.0840 4.0753 4.0753 4.5858 4.5858 4.6293 4.6293 4.8738 4.8738 7.5871 7.5871 7.9386 7.9386 8.1280 8.1280 9.2467 9.2467 9.4985 9.4985 k = 0.5000-0.7118-0.7770 ( 5194 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8337 -30.8337 -30.6399 -30.6399 -16.8171 -16.8171 -16.6462 -16.6462 -16.6295 -16.6295 -5.1952 -5.1952 -5.1497 -5.1497 2.4175 2.4175 3.0891 3.0891 4.0376 4.0376 4.5622 4.5622 4.6236 4.6236 4.8302 4.8302 7.6200 7.6200 7.9476 7.9476 8.1212 8.1212 9.2014 9.2014 9.4972 9.4972 k = 0.5000-0.7000-0.7965 ( 5186 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8338 -30.8338 -30.6399 -30.6399 -16.8171 -16.8171 -16.6462 -16.6462 -16.6296 -16.6296 -5.1897 -5.1897 -5.1441 -5.1441 2.4497 2.4497 3.0939 3.0939 3.9915 3.9915 4.5369 4.5369 4.6202 4.6202 4.7938 4.7938 7.6507 7.6507 7.9570 7.9570 8.1144 8.1144 9.1600 9.1600 9.4951 9.4951 k = 0.5000-0.6882-0.8160 ( 5192 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5913 -31.5913 -30.8340 -30.8340 -30.6400 -30.6400 -16.8171 -16.8171 -16.6462 -16.6462 -16.6298 -16.6298 -5.1840 -5.1840 -5.1386 -5.1386 2.4840 2.4840 3.0984 3.0984 3.9376 3.9376 4.5112 4.5112 4.6186 4.6186 4.7645 4.7645 7.6789 7.6789 7.9666 7.9666 8.1077 8.1077 9.1229 9.1229 9.4921 9.4921 k = 0.5000-0.6764-0.8355 ( 5196 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8341 -30.8341 -30.6400 -30.6400 -16.8172 -16.8172 -16.6462 -16.6462 -16.6300 -16.6300 -5.1781 -5.1781 -5.1331 -5.1331 2.5204 2.5204 3.1023 3.1023 3.8768 3.8768 4.4859 4.4859 4.6186 4.6186 4.7414 4.7414 7.7044 7.7044 7.9763 7.9763 8.1013 8.1013 9.0906 9.0906 9.4881 9.4881 k = 0.5000-0.6646-0.8550 ( 5194 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8342 -30.8342 -30.6400 -30.6400 -16.8172 -16.8172 -16.6462 -16.6462 -16.6301 -16.6301 -5.1721 -5.1721 -5.1279 -5.1279 2.5587 2.5587 3.1056 3.1056 3.8108 3.8108 4.4612 4.4612 4.6202 4.6202 4.7240 4.7240 7.7270 7.7270 7.9858 7.9858 8.0955 8.0955 9.0632 9.0632 9.4832 9.4832 k = 0.5000-0.6528-0.8745 ( 5196 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5915 -31.5915 -30.8343 -30.8343 -30.6400 -30.6400 -16.8173 -16.8173 -16.6462 -16.6462 -16.6303 -16.6303 -5.1660 -5.1660 -5.1228 -5.1228 2.5988 2.5988 3.1079 3.1079 3.7411 3.7411 4.4369 4.4369 4.6233 4.6233 4.7117 4.7117 7.7465 7.7465 7.9948 7.9948 8.0904 8.0904 9.0412 9.0412 9.4771 9.4771 k = 0.5000-0.6410-0.8940 ( 5200 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5916 -31.5916 -30.8344 -30.8344 -30.6400 -30.6400 -16.8173 -16.8173 -16.6462 -16.6462 -16.6304 -16.6304 -5.1598 -5.1598 -5.1182 -5.1182 2.6406 2.6406 3.1091 3.1091 3.6694 3.6694 4.4132 4.4132 4.6277 4.6277 4.7037 4.7037 7.7629 7.7629 8.0030 8.0030 8.0864 8.0864 9.0245 9.0245 9.4700 9.4700 k = 0.5000-0.6292-0.9135 ( 5204 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5917 -31.5917 -30.8345 -30.8345 -30.6400 -30.6400 -16.8174 -16.8174 -16.6463 -16.6463 -16.6306 -16.6306 -5.1536 -5.1536 -5.1139 -5.1139 2.6838 2.6838 3.1091 3.1091 3.5970 3.5970 4.3900 4.3900 4.6334 4.6334 4.6996 4.6996 7.7759 7.7759 8.0102 8.0102 8.0835 8.0835 9.0133 9.0133 9.4618 9.4618 k = 0.5000-0.6174-0.9330 ( 5210 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5917 -31.5917 -30.8346 -30.8346 -30.6400 -30.6400 -16.8174 -16.8174 -16.6463 -16.6463 -16.6307 -16.6307 -5.1475 -5.1475 -5.1103 -5.1103 2.7284 2.7284 3.1076 3.1076 3.5255 3.5255 4.3676 4.3676 4.6404 4.6404 4.6988 4.6988 7.7857 7.7857 8.0163 8.0163 8.0818 8.0818 9.0077 9.0077 9.4525 9.4525 k = 0.5000-0.6056-0.9525 ( 5204 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5918 -31.5918 -30.8347 -30.8347 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6308 -16.6308 -5.1415 -5.1415 -5.1072 -5.1072 2.7738 2.7738 3.1042 3.1042 3.4560 3.4560 4.3462 4.3462 4.6486 4.6486 4.7007 4.7007 7.7923 7.7923 8.0213 8.0213 8.0811 8.0811 9.0075 9.0075 9.4421 9.4421 k = 0.5000-0.5938-0.9720 ( 5202 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5918 -31.5918 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1357 -5.1357 -5.1050 -5.1050 2.8195 2.8195 3.0988 3.0988 3.3901 3.3901 4.3263 4.3263 4.6580 4.6580 4.7049 4.7049 7.7960 7.7960 8.0250 8.0250 8.0810 8.0810 9.0127 9.0127 9.4308 9.4308 k = 0.5000-0.5820-0.9915 ( 5202 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6309 -16.6309 -5.1300 -5.1300 -5.1035 -5.1035 2.8646 2.8646 3.0908 3.0908 3.3297 3.3297 4.3082 4.3082 4.6682 4.6682 4.7112 4.7112 7.7971 7.7971 8.0277 8.0277 8.0813 8.0813 9.0229 9.0229 9.4186 9.4186 k = 0.5000-0.5702-1.0110 ( 5206 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8176 -16.8176 -16.6464 -16.6464 -16.6310 -16.6310 -5.1247 -5.1247 -5.1031 -5.1031 2.9071 2.9071 3.0796 3.0796 3.2778 3.2778 4.2921 4.2921 4.6788 4.6788 4.7197 4.7197 7.7962 7.7962 8.0293 8.0293 8.0815 8.0815 9.0377 9.0377 9.4055 9.4055 k = 0.5000-0.5584-1.0306 ( 5204 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8176 -16.8176 -16.6464 -16.6464 -16.6310 -16.6310 -5.1196 -5.1196 -5.1036 -5.1036 2.9432 2.9432 3.0647 3.0647 3.2391 3.2391 4.2785 4.2785 4.6887 4.6887 4.7310 4.7310 7.7936 7.7936 8.0300 8.0300 8.0813 8.0813 9.0568 9.0568 9.3918 9.3918 k = 0.5000-0.5466-1.0501 ( 5188 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1149 -5.1149 -5.1053 -5.1053 2.9642 2.9642 3.0489 3.0489 3.2198 3.2198 4.2675 4.2675 4.6971 4.6971 4.7455 4.7455 7.7899 7.7899 8.0296 8.0296 8.0805 8.0805 9.0798 9.0798 9.3776 9.3776 k = 0.5000-0.5348-1.0696 ( 5190 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8176 -16.8176 -16.6464 -16.6464 -16.6310 -16.6310 -5.1112 -5.1112 -5.1076 -5.1076 2.9590 2.9590 3.0394 3.0394 3.2243 3.2243 4.2594 4.2594 4.7033 4.7033 4.7635 4.7635 7.7854 7.7854 8.0282 8.0282 8.0788 8.0788 9.1058 9.1058 9.3629 9.3629 k = 0.5000-0.5230-1.0891 ( 5192 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8176 -16.8176 -16.6464 -16.6464 -16.6310 -16.6310 -5.1132 -5.1132 -5.1060 -5.1060 2.9326 2.9326 3.0334 3.0334 3.2504 3.2504 4.2542 4.2542 4.7074 4.7074 4.7848 4.7848 7.7805 7.7805 8.0257 8.0257 8.0762 8.0762 9.1345 9.1345 9.3482 9.3482 k = 0.5000-0.5112-1.1086 ( 5192 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8176 -16.8176 -16.6464 -16.6464 -16.6310 -16.6310 -5.1187 -5.1187 -5.1028 -5.1028 2.8990 2.8990 3.0247 3.0247 3.2909 3.2909 4.2521 4.2521 4.7094 4.7094 4.8088 4.8088 7.7756 7.7756 8.0221 8.0221 8.0726 8.0726 9.1651 9.1651 9.3334 9.3334 k = 0.5000-0.4994-1.1281 ( 5192 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6310 -16.6310 -5.1257 -5.1257 -5.1000 -5.1000 2.8647 2.8647 3.0131 3.0131 3.3397 3.3397 4.2531 4.2531 4.7094 4.7094 4.8353 4.8353 7.7709 7.7709 8.0176 8.0176 8.0681 8.0681 9.1969 9.1969 9.3188 9.3188 k = 0.8170-0.4144-0.9658 ( 5192 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6310 -16.6310 -5.1257 -5.1257 -5.1000 -5.1000 2.8647 2.8647 3.0131 3.0131 3.3397 3.3397 4.2531 4.2531 4.7094 4.7094 4.8353 4.8353 7.7709 7.7709 8.0176 8.0176 8.0681 8.0681 9.1969 9.1969 9.3188 9.3188 k = 0.8111-0.4042-0.9464 ( 5192 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1343 -5.1343 -5.0977 -5.0977 2.8329 2.8329 2.9999 2.9999 3.3928 3.3928 4.2571 4.2571 4.7074 4.7074 4.8640 4.8640 7.7666 7.7666 8.0122 8.0122 8.0627 8.0627 9.2291 9.2291 9.3046 9.3046 k = 0.8052-0.3940-0.9270 ( 5190 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8347 -30.8347 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6309 -16.6309 -5.1445 -5.1445 -5.0961 -5.0961 2.8045 2.8045 2.9857 2.9857 3.4486 3.4486 4.2640 4.2640 4.7032 4.7032 4.8947 4.8947 7.7627 7.7627 8.0060 8.0060 8.0565 8.0565 9.2607 9.2607 9.2914 9.2914 k = 0.7993-0.3839-0.9076 ( 5188 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5917 -31.5917 -30.8346 -30.8346 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6308 -16.6308 -5.1562 -5.1562 -5.0950 -5.0950 2.7802 2.7802 2.9713 2.9713 3.5061 3.5061 4.2740 4.2740 4.6968 4.6968 4.9273 4.9273 7.7592 7.7592 7.9990 7.9990 8.0499 8.0499 9.2756 9.2756 9.2944 9.2944 k = 0.7935-0.3737-0.8883 ( 5186 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5916 -31.5916 -30.8345 -30.8345 -30.6400 -30.6400 -16.8173 -16.8173 -16.6461 -16.6461 -16.6307 -16.6307 -5.1695 -5.1695 -5.0947 -5.0947 2.7604 2.7604 2.9571 2.9571 3.5645 3.5645 4.2867 4.2867 4.6883 4.6883 4.9616 4.9616 7.7561 7.7561 7.9913 7.9913 8.0429 8.0429 9.2642 9.2642 9.3230 9.3230 k = 0.7876-0.3636-0.8689 ( 5186 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5915 -31.5915 -30.8344 -30.8344 -30.6400 -30.6400 -16.8172 -16.8172 -16.6460 -16.6460 -16.6307 -16.6307 -5.1845 -5.1845 -5.0950 -5.0950 2.7455 2.7455 2.9434 2.9434 3.6235 3.6235 4.3023 4.3023 4.6776 4.6776 4.9975 4.9975 7.7531 7.7531 7.9831 7.9831 8.0361 8.0361 9.2526 9.2526 9.3502 9.3502 k = 0.7817-0.3534-0.8495 ( 5178 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8342 -30.8342 -30.6399 -30.6399 -16.8171 -16.8171 -16.6458 -16.6458 -16.6306 -16.6306 -5.2011 -5.2011 -5.0961 -5.0961 2.7354 2.7354 2.9306 2.9306 3.6825 3.6825 4.3205 4.3205 4.6648 4.6648 5.0349 5.0349 7.7499 7.7499 7.9745 7.9745 8.0299 8.0299 9.2417 9.2417 9.3745 9.3745 k = 0.7759-0.3433-0.8301 ( 5184 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5913 -31.5913 -30.8340 -30.8340 -30.6400 -30.6400 -16.8170 -16.8170 -16.6456 -16.6456 -16.6305 -16.6305 -5.2193 -5.2193 -5.0979 -5.0979 2.7304 2.7304 2.9190 2.9190 3.7413 3.7413 4.3414 4.3414 4.6500 4.6500 5.0735 5.0735 7.7463 7.7463 7.9653 7.9653 8.0250 8.0250 9.2316 9.2316 9.3952 9.3952 k = 0.7700-0.3331-0.8107 ( 5186 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8338 -30.8338 -30.6399 -30.6399 -16.8169 -16.8169 -16.6455 -16.6455 -16.6304 -16.6304 -5.2391 -5.2391 -5.1004 -5.1004 2.7304 2.7304 2.9087 2.9087 3.7995 3.7995 4.3647 4.3647 4.6334 4.6334 5.1132 5.1132 7.7418 7.7418 7.9556 7.9556 8.0219 8.0219 9.2224 9.2224 9.4117 9.4117 k = 0.7641-0.3229-0.7913 ( 5184 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5910 -31.5910 -30.8336 -30.8336 -30.6399 -30.6399 -16.8167 -16.8167 -16.6452 -16.6452 -16.6303 -16.6303 -5.2604 -5.2604 -5.1038 -5.1038 2.7354 2.7354 2.9002 2.9002 3.8568 3.8568 4.3903 4.3903 4.6153 4.6153 5.1538 5.1538 7.7360 7.7360 7.9452 7.9452 8.0215 8.0215 9.2141 9.2141 9.4237 9.4237 k = 0.7583-0.3128-0.7719 ( 5180 PWs) bands (ev): -57.1841 -57.1841 -44.7596 -44.7596 -31.5908 -31.5908 -30.8333 -30.8333 -30.6399 -30.6399 -16.8165 -16.8165 -16.6450 -16.6450 -16.6302 -16.6302 -5.2833 -5.2833 -5.1079 -5.1079 2.7452 2.7452 2.8934 2.8934 3.9129 3.9129 4.4180 4.4180 4.5961 4.5961 5.1952 5.1952 7.7289 7.7289 7.9340 7.9340 8.0243 8.0243 9.2067 9.2067 9.4309 9.4309 k = 0.7524-0.3026-0.7525 ( 5186 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8164 -16.8164 -16.6448 -16.6448 -16.6302 -16.6302 -5.3076 -5.3076 -5.1127 -5.1127 2.7599 2.7599 2.8886 2.8886 3.9674 3.9674 4.4472 4.4472 4.5767 4.5767 5.2370 5.2370 7.7203 7.7203 7.9220 7.9220 8.0304 8.0304 9.2003 9.2003 9.4330 9.4330 k = 0.7465-0.2925-0.7332 ( 5184 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5905 -31.5905 -30.8327 -30.8327 -30.6399 -30.6399 -16.8162 -16.8162 -16.6445 -16.6445 -16.6301 -16.6301 -5.3332 -5.3332 -5.1184 -5.1184 2.7791 2.7791 2.8860 2.8860 4.0198 4.0198 4.4761 4.4761 4.5594 4.5594 5.2791 5.2791 7.7103 7.7103 7.9093 7.9093 8.0400 8.0400 9.1948 9.1948 9.4303 9.4303 k = 0.7407-0.2823-0.7138 ( 5186 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5903 -31.5903 -30.8324 -30.8324 -30.6399 -30.6399 -16.8159 -16.8159 -16.6441 -16.6441 -16.6300 -16.6300 -5.3602 -5.3602 -5.1248 -5.1248 2.8026 2.8026 2.8858 2.8858 4.0696 4.0696 4.4963 4.4963 4.5531 4.5531 5.3212 5.3212 7.6992 7.6992 7.8960 7.8960 8.0528 8.0528 9.1902 9.1902 9.4228 9.4228 k = 0.7348-0.2722-0.6944 ( 5182 PWs) bands (ev): -57.1842 -57.1842 -44.7597 -44.7597 -31.5900 -31.5900 -30.8321 -30.8321 -30.6399 -30.6399 -16.8157 -16.8157 -16.6438 -16.6438 -16.6299 -16.6299 -5.3884 -5.3884 -5.1319 -5.1319 2.8300 2.8300 2.8880 2.8880 4.1161 4.1161 4.4937 4.4937 4.5729 4.5729 5.3631 5.3631 7.6873 7.6873 7.8823 7.8823 8.0686 8.0686 9.1867 9.1867 9.4109 9.4109 k = 0.7289-0.2620-0.6750 ( 5190 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5898 -31.5898 -30.8317 -30.8317 -30.6400 -30.6400 -16.8155 -16.8155 -16.6434 -16.6434 -16.6299 -16.6299 -5.4177 -5.4177 -5.1398 -5.1398 2.8603 2.8603 2.8936 2.8936 4.1581 4.1581 4.4803 4.4803 4.6078 4.6078 5.4045 5.4045 7.6750 7.6750 7.8683 7.8683 8.0868 8.0868 9.1842 9.1842 9.3950 9.3950 k = 0.7230-0.2519-0.6556 ( 5184 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5896 -31.5896 -30.8313 -30.8313 -30.6399 -30.6399 -16.8152 -16.8152 -16.6430 -16.6430 -16.6298 -16.6298 -5.4480 -5.4480 -5.1483 -5.1483 2.8881 2.8881 2.9076 2.9076 4.1943 4.1943 4.4678 4.4678 4.6481 4.6481 5.4451 5.4451 7.6626 7.6626 7.8544 7.8544 8.1072 8.1072 9.1829 9.1829 9.3757 9.3757 k = 0.7172-0.2417-0.6362 ( 5184 PWs) bands (ev): -57.1843 -57.1843 -44.7598 -44.7598 -31.5893 -31.5893 -30.8309 -30.8309 -30.6400 -30.6400 -16.8149 -16.8149 -16.6426 -16.6426 -16.6297 -16.6297 -5.4792 -5.4792 -5.1575 -5.1575 2.9032 2.9032 2.9395 2.9395 4.2225 4.2225 4.4606 4.4606 4.6914 4.6914 5.4846 5.4846 7.6503 7.6503 7.8407 7.8407 8.1294 8.1294 9.1828 9.1828 9.3534 9.3534 k = 0.7113-0.2315-0.6168 ( 5184 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5890 -31.5890 -30.8305 -30.8305 -30.6400 -30.6400 -16.8146 -16.8146 -16.6422 -16.6422 -16.6296 -16.6296 -5.5113 -5.5113 -5.1673 -5.1673 2.9160 2.9160 2.9785 2.9785 4.2412 4.2412 4.4618 4.4618 4.7372 4.7372 5.5226 5.5226 7.6385 7.6385 7.8276 7.8276 8.1527 8.1527 9.1841 9.1841 9.3286 9.3286 k = 0.7054-0.2214-0.5974 ( 5190 PWs) bands (ev): -57.1844 -57.1844 -44.7599 -44.7599 -31.5888 -31.5888 -30.8301 -30.8301 -30.6400 -30.6400 -16.8144 -16.8144 -16.6417 -16.6417 -16.6296 -16.6296 -5.5440 -5.5440 -5.1778 -5.1778 2.9305 2.9305 3.0199 3.0199 4.2503 4.2503 4.4721 4.4721 4.7851 4.7851 5.5589 5.5589 7.6273 7.6273 7.8152 7.8152 8.1769 8.1769 9.1868 9.1868 9.3019 9.3019 k = 0.6996-0.2112-0.5781 ( 5190 PWs) bands (ev): -57.1844 -57.1844 -44.7600 -44.7600 -31.5885 -31.5885 -30.8296 -30.8296 -30.6400 -30.6400 -16.8141 -16.8141 -16.6412 -16.6412 -16.6295 -16.6295 -5.5773 -5.5773 -5.1888 -5.1888 2.9472 2.9472 3.0622 3.0622 4.2525 4.2525 4.4897 4.4897 4.8349 4.8349 5.5930 5.5930 7.6170 7.6170 7.8041 7.8041 8.2016 8.2016 9.1910 9.1910 9.2739 9.2739 k = 0.6937-0.2011-0.5587 ( 5192 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5882 -31.5882 -30.8292 -30.8292 -30.6400 -30.6400 -16.8137 -16.8137 -16.6407 -16.6407 -16.6294 -16.6294 -5.6110 -5.6110 -5.2002 -5.2002 2.9662 2.9662 3.1041 3.1041 4.2520 4.2520 4.5116 4.5116 4.8866 4.8866 5.6246 5.6246 7.6075 7.6075 7.7944 7.7944 8.2262 8.2262 9.1967 9.1967 9.2454 9.2454 k = 0.6878-0.1909-0.5393 ( 5186 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5878 -31.5878 -30.8287 -30.8287 -30.6400 -30.6400 -16.8134 -16.8134 -16.6402 -16.6402 -16.6294 -16.6294 -5.6451 -5.6451 -5.2122 -5.2122 2.9876 2.9876 3.1445 3.1445 4.2524 4.2524 4.5353 4.5353 4.9399 4.9399 5.6534 5.6534 7.5991 7.5991 7.7865 7.7865 8.2504 8.2504 9.2006 9.2006 9.2203 9.2203 k = 0.6820-0.1808-0.5199 ( 5184 PWs) bands (ev): -57.1845 -57.1845 -44.7601 -44.7601 -31.5875 -31.5875 -30.8282 -30.8282 -30.6400 -30.6400 -16.8130 -16.8130 -16.6396 -16.6396 -16.6293 -16.6293 -5.6795 -5.6795 -5.2245 -5.2245 3.0113 3.0113 3.1820 3.1820 4.2569 4.2569 4.5591 4.5591 4.9947 4.9947 5.6791 5.6791 7.5917 7.5917 7.7805 7.7805 8.2737 8.2737 9.1815 9.1815 9.2202 9.2202 k = 0.6761-0.1706-0.5005 ( 5182 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5872 -31.5872 -30.8277 -30.8277 -30.6400 -30.6400 -16.8127 -16.8127 -16.6391 -16.6391 -16.6292 -16.6292 -5.7139 -5.7139 -5.2372 -5.2372 3.0372 3.0372 3.2152 3.2152 4.2677 4.2677 4.5820 4.5820 5.0507 5.0507 5.7014 5.7014 7.5854 7.5854 7.7768 7.7768 8.2958 8.2958 9.1531 9.1531 9.2322 9.2322 k = 0.6702-0.1604-0.4811 ( 5184 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5868 -31.5868 -30.8272 -30.8272 -30.6400 -30.6400 -16.8123 -16.8123 -16.6385 -16.6385 -16.6292 -16.6292 -5.7483 -5.7483 -5.2502 -5.2502 3.0652 3.0652 3.2430 3.2430 4.2866 4.2866 4.6037 4.6037 5.1077 5.1077 5.7203 5.7203 7.5800 7.5800 7.7755 7.7755 8.3162 8.3162 9.1246 9.1246 9.2477 9.2477 k = 0.6643-0.1503-0.4617 ( 5196 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5865 -31.5865 -30.8267 -30.8267 -30.6400 -30.6400 -16.8120 -16.8120 -16.6379 -16.6379 -16.6292 -16.6292 -5.7827 -5.7827 -5.2634 -5.2634 3.0951 3.0951 3.2645 3.2645 4.3147 4.3147 4.6239 4.6239 5.1653 5.1653 5.7357 5.7357 7.5755 7.5755 7.7766 7.7766 8.3346 8.3346 9.0971 9.0971 9.2661 9.2661 k = 0.6585-0.1401-0.4423 ( 5198 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5862 -31.5862 -30.8262 -30.8262 -30.6400 -30.6400 -16.8117 -16.8117 -16.6374 -16.6374 -16.6291 -16.6291 -5.8167 -5.8167 -5.2769 -5.2769 3.1266 3.1266 3.2795 3.2795 4.3525 4.3525 4.6429 4.6429 5.2231 5.2231 5.7478 5.7478 7.5720 7.5720 7.7800 7.7800 8.3508 8.3508 9.0713 9.0713 9.2874 9.2874 k = 0.6526-0.1300-0.4230 ( 5198 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5859 -31.5859 -30.8256 -30.8256 -30.6400 -30.6400 -16.8113 -16.8113 -16.6368 -16.6368 -16.6291 -16.6291 -5.8505 -5.8505 -5.2904 -5.2904 3.1591 3.1591 3.2886 3.2886 4.3993 4.3993 4.6612 4.6612 5.2803 5.2803 5.7571 5.7571 7.5692 7.5692 7.7855 7.7855 8.3644 8.3644 9.0477 9.0477 9.3115 9.3115 k = 0.6467-0.1198-0.4036 ( 5202 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5855 -31.5855 -30.8251 -30.8251 -30.6400 -30.6400 -16.8110 -16.8110 -16.6362 -16.6362 -16.6290 -16.6290 -5.8838 -5.8838 -5.3040 -5.3040 3.1910 3.1910 3.2938 3.2938 4.4536 4.4536 4.6799 4.6799 5.3358 5.3358 5.7646 5.7646 7.5670 7.5670 7.7926 7.7926 8.3753 8.3753 9.0271 9.0271 9.3383 9.3383 k = 0.6409-0.1097-0.3842 ( 5202 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5852 -31.5852 -30.8246 -30.8246 -30.6401 -30.6401 -16.8106 -16.8106 -16.6356 -16.6356 -16.6290 -16.6290 -5.9166 -5.9166 -5.3176 -5.3176 3.2180 3.2180 3.3001 3.3001 4.5116 4.5116 4.7020 4.7020 5.3880 5.3880 5.7718 5.7718 7.5654 7.5654 7.8009 7.8009 8.3834 8.3834 9.0101 9.0101 9.3677 9.3677 k = 0.6350-0.0995-0.3648 ( 5206 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5849 -31.5849 -30.8241 -30.8241 -30.6401 -30.6401 -16.8103 -16.8103 -16.6350 -16.6350 -16.6289 -16.6289 -5.9488 -5.9488 -5.3312 -5.3312 3.2312 3.2312 3.3173 3.3173 4.5665 4.5665 4.7334 4.7334 5.4342 5.4342 5.7814 5.7814 7.5643 7.5643 7.8095 7.8095 8.3887 8.3887 8.9975 8.9975 9.3992 9.3992 k = 0.6291-0.0894-0.3454 ( 5202 PWs) bands (ev): -57.1850 -57.1850 -44.7605 -44.7605 -31.5845 -31.5845 -30.8235 -30.8235 -30.6401 -30.6401 -16.8099 -16.8099 -16.6344 -16.6344 -16.6288 -16.6288 -5.9802 -5.9802 -5.3446 -5.3446 3.2282 3.2282 3.3486 3.3486 4.6088 4.6088 4.7827 4.7827 5.4711 5.4711 5.7969 5.7969 7.5634 7.5634 7.8176 7.8176 8.3912 8.3912 8.9902 8.9902 9.4328 9.4328 k = 0.6233-0.0792-0.3260 ( 5200 PWs) bands (ev): -57.1850 -57.1850 -44.7605 -44.7605 -31.5842 -31.5842 -30.8230 -30.8230 -30.6401 -30.6401 -16.8096 -16.8096 -16.6338 -16.6338 -16.6287 -16.6287 -6.0109 -6.0109 -5.3579 -5.3579 3.2159 3.2159 3.3880 3.3880 4.6349 4.6349 4.8525 4.8525 5.4950 5.4950 5.8219 5.8219 7.5628 7.5628 7.8243 7.8243 8.3908 8.3908 8.9889 8.9889 9.4678 9.4678 k = 0.6174-0.0690-0.3066 ( 5192 PWs) bands (ev): -57.1851 -57.1851 -44.7605 -44.7605 -31.5838 -31.5838 -30.8225 -30.8225 -30.6401 -30.6401 -16.8092 -16.8092 -16.6333 -16.6333 -16.6286 -16.6286 -6.0406 -6.0406 -5.3710 -5.3710 3.1988 3.1988 3.4317 3.4317 4.6495 4.6495 4.9370 4.9370 5.5047 5.5047 5.8583 5.8583 7.5623 7.5623 7.8287 7.8287 8.3877 8.3877 8.9945 8.9945 9.5040 9.5040 k = 0.6115-0.0589-0.2872 ( 5188 PWs) bands (ev): -57.1851 -57.1851 -44.7606 -44.7606 -31.5835 -31.5835 -30.8220 -30.8220 -30.6401 -30.6401 -16.8089 -16.8089 -16.6328 -16.6328 -16.6284 -16.6284 -6.0694 -6.0694 -5.3838 -5.3838 3.1791 3.1791 3.4781 3.4781 4.6577 4.6577 5.0301 5.0301 5.5017 5.5017 5.9050 5.9050 7.5617 7.5617 7.8299 7.8299 8.3819 8.3819 9.0074 9.0074 9.5410 9.5410 k = 0.6057-0.0487-0.2678 ( 5194 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5832 -31.5832 -30.8215 -30.8215 -30.6401 -30.6401 -16.8086 -16.8086 -16.6323 -16.6323 -16.6283 -16.6283 -6.0971 -6.0971 -5.3963 -5.3963 3.1580 3.1580 3.5266 3.5266 4.6620 4.6620 5.1275 5.1275 5.4898 5.4898 5.9592 5.9592 7.5610 7.5610 7.8274 7.8274 8.3735 8.3735 9.0282 9.0282 9.5782 9.5782 k = 0.5998-0.0386-0.2485 ( 5184 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5829 -31.5829 -30.8210 -30.8210 -30.6401 -30.6401 -16.8083 -16.8083 -16.6319 -16.6319 -16.6281 -16.6281 -6.1237 -6.1237 -5.4084 -5.4084 3.1360 3.1360 3.5767 3.5767 4.6639 4.6639 5.2241 5.2241 5.4749 5.4749 6.0186 6.0186 7.5600 7.5600 7.8207 7.8207 8.3626 8.3626 9.0569 9.0569 9.6153 9.6153 k = 0.5939-0.0284-0.2291 ( 5182 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5826 -31.5826 -30.8206 -30.8206 -30.6401 -30.6401 -16.8080 -16.8080 -16.6315 -16.6315 -16.6279 -16.6279 -6.1492 -6.1492 -5.4201 -5.4201 3.1139 3.1139 3.6284 3.6284 4.6640 4.6640 5.3055 5.3055 5.4723 5.4723 6.0813 6.0813 7.5587 7.5587 7.8096 7.8096 8.3492 8.3492 9.0935 9.0935 9.6518 9.6518 k = 0.5880-0.0183-0.2097 ( 5190 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5823 -31.5823 -30.8201 -30.8201 -30.6401 -30.6401 -16.8077 -16.8077 -16.6312 -16.6312 -16.6276 -16.6276 -6.1734 -6.1734 -5.4313 -5.4313 3.0918 3.0918 3.6814 3.6814 4.6629 4.6629 5.3354 5.3354 5.5183 5.5183 6.1459 6.1459 7.5569 7.5569 7.7943 7.7943 8.3333 8.3333 9.1374 9.1374 9.6874 9.6874 k = 0.5822-0.0081-0.1903 ( 5186 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5820 -31.5820 -30.8197 -30.8197 -30.6401 -30.6401 -16.8075 -16.8075 -16.6310 -16.6310 -16.6273 -16.6273 -6.1963 -6.1963 -5.4420 -5.4420 3.0703 3.0703 3.7355 3.7355 4.6609 4.6609 5.3176 5.3176 5.6096 5.6096 6.2118 6.2118 7.5545 7.5545 7.7749 7.7749 8.3150 8.3150 9.1882 9.1882 9.7218 9.7218 k = 0.5763 0.0021-0.1709 ( 5194 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5818 -31.5818 -30.8194 -30.8194 -30.6401 -30.6401 -16.8073 -16.8073 -16.6308 -16.6308 -16.6271 -16.6271 -6.2178 -6.2178 -5.4521 -5.4521 3.0494 3.0494 3.7908 3.7908 4.6581 4.6581 5.2829 5.2829 5.7152 5.7152 6.2783 6.2783 7.5514 7.5514 7.7519 7.7519 8.2944 8.2944 9.2449 9.2449 9.7547 9.7547 k = 0.5704 0.0122-0.1515 ( 5196 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5816 -31.5816 -30.8190 -30.8190 -30.6401 -30.6401 -16.8070 -16.8070 -16.6307 -16.6307 -16.6267 -16.6267 -6.2380 -6.2380 -5.4617 -5.4617 3.0295 3.0295 3.8469 3.8469 4.6549 4.6549 5.2412 5.2412 5.8249 5.8249 6.3451 6.3451 7.5472 7.5472 7.7258 7.7258 8.2715 8.2715 9.3066 9.3066 9.7857 9.7857 k = 0.5646 0.0224-0.1321 ( 5194 PWs) bands (ev): -57.1855 -57.1855 -44.7608 -44.7608 -31.5813 -31.5813 -30.8186 -30.8186 -30.6401 -30.6401 -16.8068 -16.8068 -16.6305 -16.6305 -16.6264 -16.6264 -6.2567 -6.2567 -5.4706 -5.4706 3.0107 3.0107 3.9040 3.9040 4.6514 4.6514 5.1956 5.1956 5.9351 5.9351 6.4117 6.4117 7.5420 7.5420 7.6970 7.6970 8.2467 8.2467 9.3722 9.3722 9.8148 9.8148 k = 0.5587 0.0325-0.1127 ( 5198 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5811 -31.5811 -30.8183 -30.8183 -30.6401 -30.6401 -16.8066 -16.8066 -16.6304 -16.6304 -16.6261 -16.6261 -6.2739 -6.2739 -5.4789 -5.4789 2.9931 2.9931 3.9617 3.9617 4.6477 4.6477 5.1473 5.1473 6.0443 6.0443 6.4781 6.4781 7.5352 7.5352 7.6661 7.6661 8.2200 8.2200 9.4405 9.4405 9.8418 9.8418 k = 0.5528 0.0427-0.0934 ( 5184 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5809 -31.5809 -30.8180 -30.8180 -30.6401 -30.6401 -16.8064 -16.8064 -16.6303 -16.6303 -16.6257 -16.6257 -6.2896 -6.2896 -5.4864 -5.4864 2.9769 2.9769 4.0200 4.0200 4.6438 4.6438 5.0969 5.0969 6.1510 6.1510 6.5442 6.5442 7.5268 7.5268 7.6338 7.6338 8.1918 8.1918 9.5102 9.5102 9.8668 9.8668 k = 0.5470 0.0528-0.0740 ( 5184 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5807 -31.5807 -30.8177 -30.8177 -30.6401 -30.6401 -16.8062 -16.8062 -16.6303 -16.6303 -16.6254 -16.6254 -6.3037 -6.3037 -5.4933 -5.4933 2.9622 2.9622 4.0788 4.0788 4.6400 4.6400 5.0450 5.0450 6.2536 6.2536 6.6098 6.6098 7.5161 7.5161 7.6004 7.6004 8.1626 8.1626 9.5797 9.5797 9.8897 9.8897 k = 0.5411 0.0630-0.0546 ( 5186 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5806 -31.5806 -30.8175 -30.8175 -30.6401 -30.6401 -16.8061 -16.8061 -16.6302 -16.6302 -16.6252 -16.6252 -6.3162 -6.3162 -5.4994 -5.4994 2.9490 2.9490 4.1379 4.1379 4.6361 4.6361 4.9918 4.9918 6.3507 6.3507 6.6751 6.6751 7.5028 7.5028 7.5668 7.5668 8.1330 8.1330 9.6471 9.6471 9.9110 9.9110 k = 0.5352 0.0732-0.0352 ( 5186 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5804 -31.5804 -30.8173 -30.8173 -30.6401 -30.6401 -16.8060 -16.8060 -16.6302 -16.6302 -16.6249 -16.6249 -6.3271 -6.3271 -5.5047 -5.5047 2.9374 2.9374 4.1971 4.1971 4.6321 4.6321 4.9379 4.9379 6.4405 6.4405 6.7399 6.7399 7.4866 7.4866 7.5335 7.5335 8.1039 8.1039 9.7104 9.7104 9.9309 9.9309 k = 0.5293 0.0833-0.0158 ( 5184 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5803 -31.5803 -30.8171 -30.8171 -30.6401 -30.6401 -16.8059 -16.8059 -16.6301 -16.6301 -16.6247 -16.6247 -6.3364 -6.3364 -5.5093 -5.5093 2.9276 2.9276 4.2564 4.2564 4.6279 4.6279 4.8839 4.8839 6.5210 6.5210 6.8040 6.8040 7.4674 7.4674 7.5012 7.5012 8.0764 8.0764 9.7668 9.7668 9.9503 9.9503 k = 0.5235 0.0935 0.0036 ( 5180 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5802 -31.5802 -30.8169 -30.8169 -30.6401 -30.6401 -16.8058 -16.8058 -16.6301 -16.6301 -16.6245 -16.6245 -6.3440 -6.3440 -5.5130 -5.5130 2.9194 2.9194 4.3153 4.3153 4.6230 4.6230 4.8307 4.8307 6.5902 6.5902 6.8663 6.8663 7.4462 7.4462 7.4701 7.4701 8.0517 8.0517 9.8138 9.8138 9.9698 9.9698 k = 0.5176 0.1036 0.0230 ( 5184 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6401 -30.6401 -16.8057 -16.8057 -16.6301 -16.6301 -16.6244 -16.6244 -6.3499 -6.3499 -5.5159 -5.5159 2.9130 2.9130 4.3733 4.3733 4.6159 4.6159 4.7801 4.7801 6.6463 6.6463 6.9244 6.9244 7.4253 7.4253 7.4405 7.4405 8.0308 8.0308 9.8490 9.8490 9.9894 9.9894 k = 0.5117 0.1138 0.0424 ( 5182 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.3542 -6.3542 -5.5180 -5.5180 2.9085 2.9085 4.4298 4.4298 4.6037 4.6037 4.7361 4.7361 6.6879 6.6879 6.9742 6.9742 7.4074 7.4074 7.4137 7.4137 8.0150 8.0150 9.8723 9.8723 10.0072 10.0072 k = 0.5059 0.1239 0.0617 ( 5184 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3568 -6.3568 -5.5193 -5.5193 2.9057 2.9057 4.4821 4.4821 4.5816 4.5816 4.7060 4.7060 6.7135 6.7135 7.0093 7.0093 7.3934 7.3934 7.3955 7.3955 8.0052 8.0052 9.8852 9.8852 10.0199 10.0199 k = 0.5000 0.1341 0.0811 ( 5194 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3576 -6.3576 -5.5197 -5.5197 2.9048 2.9048 4.5144 4.5144 4.5595 4.5595 4.6958 4.6958 6.7222 6.7222 7.0222 7.0222 7.3856 7.3856 7.3912 7.3912 8.0019 8.0019 9.8892 9.8892 10.0245 10.0245 k = 0.5000 0.1341 0.0811 ( 5194 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3576 -6.3576 -5.5197 -5.5197 2.9048 2.9048 4.5144 4.5144 4.5595 4.5595 4.6958 4.6958 6.7222 6.7222 7.0222 7.0222 7.3856 7.3856 7.3912 7.3912 8.0019 8.0019 9.8892 9.8892 10.0245 10.0245 k = 0.4783 0.1283 0.0776 ( 5167 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6401 -30.6401 -16.8056 -16.8056 -16.6300 -16.6300 -16.6242 -16.6242 -6.3581 -6.3581 -5.5189 -5.5189 2.8986 2.8986 4.5227 4.5227 4.5600 4.5600 4.6957 4.6957 6.7226 6.7226 7.0226 7.0226 7.3857 7.3857 7.3913 7.3913 8.0014 8.0014 9.8889 9.8889 10.0241 10.0241 k = 0.4565 0.1224 0.0741 ( 5164 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6400 -30.6400 -16.8056 -16.8056 -16.6300 -16.6300 -16.6242 -16.6242 -6.3598 -6.3598 -5.5166 -5.5166 2.8804 2.8804 4.5438 4.5438 4.5648 4.5648 4.6954 4.6954 6.7238 6.7238 7.0237 7.0237 7.3856 7.3856 7.3912 7.3912 8.0000 8.0000 9.8878 9.8878 10.0229 10.0229 k = 0.4348 0.1166 0.0705 ( 5170 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6401 -30.6401 -16.8056 -16.8056 -16.6300 -16.6300 -16.6242 -16.6242 -6.3624 -6.3624 -5.5128 -5.5128 2.8515 2.8515 4.5535 4.5535 4.5966 4.5966 4.6950 4.6950 6.7258 6.7258 7.0255 7.0255 7.3855 7.3855 7.3911 7.3911 7.9976 7.9976 9.8859 9.8859 10.0209 10.0209 k = 0.4130 0.1108 0.0670 ( 5176 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3660 -6.3660 -5.5076 -5.5076 2.8137 2.8137 4.5543 4.5543 4.6513 4.6513 4.6943 4.6943 6.7286 6.7286 7.0280 7.0280 7.3854 7.3854 7.3910 7.3910 7.9940 7.9940 9.8834 9.8834 10.0183 10.0183 k = 0.3913 0.1049 0.0635 ( 5179 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3704 -6.3704 -5.5011 -5.5011 2.7690 2.7690 4.5539 4.5539 4.6935 4.6935 4.7189 4.7189 6.7321 6.7322 7.0312 7.0312 7.3853 7.3853 7.3909 7.3909 7.9894 7.9894 9.8803 9.8803 10.0149 10.0149 k = 0.3696 0.0991 0.0600 ( 5191 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3756 -6.3756 -5.4935 -5.4935 2.7194 2.7194 4.5530 4.5530 4.6925 4.6925 4.7965 4.7965 6.7364 6.7364 7.0349 7.0349 7.3851 7.3851 7.3907 7.3907 7.9835 7.9835 9.8765 9.8765 10.0108 10.0108 k = 0.3478 0.0933 0.0564 ( 5197 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.3813 -6.3813 -5.4850 -5.4850 2.6667 2.6667 4.5520 4.5520 4.6913 4.6913 4.8821 4.8821 6.7413 6.7413 7.0392 7.0392 7.3848 7.3848 7.3905 7.3905 7.9764 7.9764 9.8722 9.8722 10.0063 10.0063 k = 0.3261 0.0874 0.0529 ( 5197 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.3876 -6.3876 -5.4757 -5.4757 2.6123 2.6123 4.5507 4.5507 4.6901 4.6901 4.9738 4.9738 6.7467 6.7467 7.0439 7.0439 7.3846 7.3846 7.3903 7.3903 7.9678 7.9678 9.8675 9.8675 10.0012 10.0012 k = 0.3043 0.0816 0.0494 ( 5206 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8057 -16.8057 -16.6301 -16.6301 -16.6243 -16.6243 -6.3941 -6.3941 -5.4659 -5.4659 2.5576 2.5576 4.5494 4.5494 4.6888 4.6888 5.0700 5.0700 6.7528 6.7528 7.0490 7.0490 7.3844 7.3844 7.3900 7.3900 7.9576 7.9576 9.8624 9.8624 9.9958 9.9958 k = 0.2826 0.0758 0.0459 ( 5206 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8057 -16.8057 -16.6301 -16.6301 -16.6243 -16.6243 -6.4009 -6.4009 -5.4557 -5.4557 2.5035 2.5035 4.5480 4.5480 4.6874 4.6874 5.1694 5.1694 6.7593 6.7593 7.0544 7.0544 7.3841 7.3841 7.3898 7.3898 7.9458 7.9458 9.8570 9.8570 9.9901 9.9901 k = 0.2609 0.0700 0.0423 ( 5215 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6401 -30.6401 -16.8057 -16.8057 -16.6301 -16.6301 -16.6243 -16.6243 -6.4077 -6.4077 -5.4453 -5.4453 2.4510 2.4510 4.5465 4.5465 4.6860 4.6860 5.2705 5.2705 6.7663 6.7663 7.0599 7.0599 7.3837 7.3837 7.3894 7.3894 7.9321 7.9321 9.8514 9.8514 9.9842 9.9842 k = 0.2391 0.0641 0.0388 ( 5212 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6402 -30.6402 -16.8057 -16.8057 -16.6301 -16.6301 -16.6243 -16.6243 -6.4144 -6.4144 -5.4349 -5.4349 2.4006 2.4006 4.5450 4.5450 4.6846 4.6846 5.3721 5.3721 6.7737 6.7737 7.0656 7.0656 7.3835 7.3835 7.3891 7.3891 7.9166 7.9166 9.8458 9.8458 9.9783 9.9783 k = 0.2174 0.0583 0.0353 ( 5200 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.4210 -6.4210 -5.4248 -5.4248 2.3532 2.3532 4.5436 4.5436 4.6833 4.6833 5.4729 5.4729 6.7815 6.7815 7.0712 7.0712 7.3832 7.3832 7.3889 7.3889 7.8991 7.8991 9.8402 9.8402 9.9724 9.9724 k = 0.1957 0.0525 0.0317 ( 5200 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.4272 -6.4272 -5.4151 -5.4151 2.3090 2.3090 4.5422 4.5422 4.6819 4.6819 5.5716 5.5716 6.7897 6.7897 7.0766 7.0766 7.3829 7.3829 7.3886 7.3886 7.8798 7.8798 9.8347 9.8347 9.9666 9.9666 k = 0.1739 0.0466 0.0282 ( 5200 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6300 -16.6300 -16.6243 -16.6243 -6.4331 -6.4331 -5.4059 -5.4059 2.2685 2.2685 4.5408 4.5408 4.6806 4.6806 5.6667 5.6667 6.7981 6.7981 7.0819 7.0819 7.3826 7.3826 7.3883 7.3883 7.8587 7.8587 9.8294 9.8294 9.9611 9.9611 k = 0.1522 0.0408 0.0247 ( 5188 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6300 -16.6300 -16.6243 -16.6243 -6.4385 -6.4385 -5.3974 -5.3974 2.2321 2.2321 4.5396 4.5396 4.6794 4.6794 5.7568 5.7568 6.8068 6.8068 7.0867 7.0867 7.3824 7.3824 7.3880 7.3880 7.8363 7.8363 9.8244 9.8244 9.9560 9.9560 k = 0.1304 0.0350 0.0212 ( 5176 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4433 -6.4433 -5.3897 -5.3897 2.2000 2.2000 4.5385 4.5385 4.6784 4.6784 5.8401 5.8401 6.8156 6.8156 7.0912 7.0912 7.3821 7.3821 7.3878 7.3878 7.8131 7.8131 9.8199 9.8199 9.9513 9.9513 k = 0.1087 0.0291 0.0176 ( 5176 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4475 -6.4475 -5.3831 -5.3831 2.1724 2.1724 4.5375 4.5375 4.6774 4.6774 5.9149 5.9149 6.8244 6.8244 7.0952 7.0952 7.3818 7.3818 7.3875 7.3875 7.7898 7.7898 9.8158 9.8158 9.9472 9.9472 k = 0.0870 0.0233 0.0141 ( 5176 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4509 -6.4509 -5.3774 -5.3774 2.1497 2.1497 4.5366 4.5366 4.6766 4.6766 5.9794 5.9794 6.8328 6.8328 7.0985 7.0985 7.3816 7.3816 7.3873 7.3873 7.7677 7.7677 9.8123 9.8123 9.9437 9.9437 k = 0.0652 0.0175 0.0106 ( 5176 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4537 -6.4537 -5.3730 -5.3730 2.1318 2.1318 4.5359 4.5359 4.6760 4.6760 6.0319 6.0319 6.8405 6.8405 7.1012 7.1012 7.3814 7.3814 7.3871 7.3871 7.7482 7.7482 9.8094 9.8094 9.9409 9.9409 k = 0.0435 0.0117 0.0071 ( 5172 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4557 -6.4557 -5.3698 -5.3698 2.1189 2.1189 4.5355 4.5355 4.6755 4.6755 6.0706 6.0706 6.8467 6.8467 7.1031 7.1031 7.3812 7.3812 7.3870 7.3870 7.7327 7.7327 9.8074 9.8074 9.9389 9.9389 k = 0.0217 0.0058 0.0035 ( 5163 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4569 -6.4569 -5.3678 -5.3678 2.1112 2.1112 4.5352 4.5352 4.6753 4.6753 6.0943 6.0943 6.8509 6.8509 7.1043 7.1043 7.3812 7.3812 7.3869 7.3869 7.7228 7.7228 9.8061 9.8061 9.9377 9.9377 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4573 -6.4573 -5.3671 -5.3671 2.1086 2.1086 4.5351 4.5351 4.6752 4.6752 6.1024 6.1024 6.8523 6.8523 7.1047 7.1047 7.3811 7.3811 7.3869 7.3869 7.7193 7.7193 9.8057 9.8057 9.9373 9.9373 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8166 -30.8166 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4573 -6.4573 -5.3671 -5.3671 2.1086 2.1086 4.5351 4.5351 4.6752 4.6752 6.1024 6.1024 6.8523 6.8523 7.1047 7.1047 7.3811 7.3811 7.3869 7.3869 7.7193 7.7193 9.8057 9.8057 9.9373 9.9373 k = 0.0059-0.0102-0.0194 ( 5167 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5800 -31.5800 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6242 -16.6242 -6.4564 -6.4564 -5.3668 -5.3668 2.1099 2.1099 4.5335 4.5335 4.6735 4.6735 6.1040 6.1040 6.8431 6.8431 7.0892 7.0892 7.3914 7.3914 7.3923 7.3923 7.7208 7.7208 9.8020 9.8020 9.9329 9.9329 k = 0.0118-0.0204-0.0389 ( 5161 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6400 -30.6400 -16.8055 -16.8055 -16.6299 -16.6299 -16.6243 -16.6243 -6.4537 -6.4537 -5.3659 -5.3659 2.1136 2.1136 4.5284 4.5284 4.6688 4.6688 6.1088 6.1088 6.8162 6.8162 7.0488 7.0488 7.4069 7.4069 7.4169 7.4169 7.7253 7.7253 9.7906 9.7906 9.9210 9.9210 k = 0.0177-0.0306-0.0583 ( 5169 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6400 -30.6400 -16.8056 -16.8056 -16.6299 -16.6299 -16.6244 -16.6244 -6.4492 -6.4492 -5.3642 -5.3642 2.1197 2.1197 4.5191 4.5191 4.6620 4.6620 6.1161 6.1161 6.7735 6.7735 6.9941 6.9941 7.4280 7.4280 7.4488 7.4488 7.7328 7.7328 9.7701 9.7701 9.9036 9.9036 k = 0.0236-0.0408-0.0778 ( 5167 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5802 -31.5802 -30.8169 -30.8169 -30.6400 -30.6400 -16.8057 -16.8057 -16.6299 -16.6299 -16.6245 -16.6245 -6.4430 -6.4430 -5.3620 -5.3620 2.1284 2.1284 4.5047 4.5047 4.6547 4.6547 6.1247 6.1247 6.7172 6.7172 6.9326 6.9326 7.4519 7.4519 7.4827 7.4827 7.7432 7.7432 9.7398 9.7398 9.8834 9.8834 k = 0.0294-0.0509-0.0972 ( 5177 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5803 -31.5803 -30.8171 -30.8171 -30.6400 -30.6400 -16.8058 -16.8058 -16.6300 -16.6300 -16.6247 -16.6247 -6.4350 -6.4350 -5.3591 -5.3591 2.1394 2.1394 4.4843 4.4843 4.6481 4.6481 6.1329 6.1329 6.6499 6.6499 6.8685 6.8685 7.4749 7.4749 7.5176 7.5176 7.7565 7.7565 9.7002 9.7002 9.8621 9.8621 k = 0.0353-0.0611-0.1167 ( 5175 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5804 -31.5804 -30.8173 -30.8173 -30.6400 -30.6400 -16.8059 -16.8059 -16.6300 -16.6300 -16.6249 -16.6249 -6.4252 -6.4252 -5.3556 -5.3556 2.1529 2.1529 4.4578 4.4578 4.6431 4.6431 6.1376 6.1376 6.5752 6.5752 6.8043 6.8043 7.4948 7.4948 7.5536 7.5536 7.7721 7.7721 9.6534 9.6534 9.8397 9.8397 k = 0.0412-0.0713-0.1361 ( 5173 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5806 -31.5806 -30.8175 -30.8175 -30.6400 -30.6400 -16.8060 -16.8060 -16.6300 -16.6300 -16.6252 -16.6252 -6.4137 -6.4137 -5.3515 -5.3515 2.1688 2.1688 4.4254 4.4254 4.6400 4.6400 6.1341 6.1341 6.4988 6.4988 6.7409 6.7409 7.5109 7.5109 7.5902 7.5902 7.7897 7.7897 9.6021 9.6021 9.8157 9.8157 k = 0.0471-0.0815-0.1556 ( 5167 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5807 -31.5807 -30.8177 -30.8177 -30.6400 -30.6400 -16.8061 -16.8061 -16.6301 -16.6301 -16.6254 -16.6254 -6.4004 -6.4004 -5.3468 -5.3468 2.1871 2.1871 4.3881 4.3881 4.6384 4.6384 6.1142 6.1142 6.4297 6.4297 6.6787 6.6787 7.5234 7.5234 7.6270 7.6270 7.8087 7.8087 9.5489 9.5489 9.7897 9.7897 k = 0.0530-0.0917-0.1750 ( 5169 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5809 -31.5809 -30.8180 -30.8180 -30.6400 -30.6400 -16.8063 -16.8063 -16.6301 -16.6301 -16.6257 -16.6257 -6.3855 -6.3855 -5.3416 -5.3416 2.2077 2.2077 4.3466 4.3466 4.6381 4.6381 6.0682 6.0682 6.3773 6.3773 6.6185 6.6185 7.5329 7.5329 7.6634 7.6634 7.8287 7.8287 9.4962 9.4962 9.7612 9.7612 k = 0.0589-0.1019-0.1945 ( 5169 PWs) bands (ev): -57.1855 -57.1855 -44.7608 -44.7608 -31.5811 -31.5811 -30.8183 -30.8183 -30.6400 -30.6400 -16.8065 -16.8065 -16.6302 -16.6302 -16.6260 -16.6260 -6.3690 -6.3690 -5.3358 -5.3358 2.2306 2.2306 4.3019 4.3019 4.6385 4.6385 5.9940 5.9940 6.3432 6.3432 6.5615 6.5615 7.5401 7.5401 7.6989 7.6989 7.8492 7.8492 9.4459 9.4459 9.7302 9.7302 k = 0.0648-0.1121-0.2139 ( 5177 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5813 -31.5813 -30.8186 -30.8186 -30.6400 -30.6400 -16.8067 -16.8067 -16.6304 -16.6304 -16.6264 -16.6264 -6.3508 -6.3508 -5.3295 -5.3295 2.2559 2.2559 4.2548 4.2548 4.6395 4.6395 5.8990 5.8990 6.3177 6.3177 6.5103 6.5103 7.5454 7.5454 7.7330 7.7330 7.8701 7.8701 9.3994 9.3994 9.6965 9.6965 k = 0.0707-0.1223-0.2334 ( 5179 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5815 -31.5815 -30.8190 -30.8190 -30.6400 -30.6400 -16.8069 -16.8069 -16.6305 -16.6305 -16.6267 -16.6267 -6.3310 -6.3310 -5.3227 -5.3227 2.2833 2.2833 4.2058 4.2058 4.6406 4.6406 5.7918 5.7918 6.2888 6.2888 6.4685 6.4685 7.5494 7.5494 7.7655 7.7655 7.8912 7.8912 9.3581 9.3581 9.6602 9.6602 k = 0.0765-0.1325-0.2528 ( 5183 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5818 -31.5818 -30.8194 -30.8194 -30.6401 -30.6401 -16.8072 -16.8072 -16.6307 -16.6307 -16.6271 -16.6271 -6.3097 -6.3097 -5.3154 -5.3154 2.3129 2.3129 4.1555 4.1555 4.6416 4.6416 5.6777 5.6777 6.2494 6.2494 6.4382 6.4382 7.5524 7.5524 7.7961 7.7961 7.9123 7.9123 9.3231 9.3231 9.6215 9.6215 k = 0.0824-0.1426-0.2723 ( 5187 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5820 -31.5820 -30.8198 -30.8198 -30.6401 -30.6401 -16.8075 -16.8075 -16.6309 -16.6309 -16.6274 -16.6274 -6.2870 -6.2870 -5.3077 -5.3077 2.3446 2.3446 4.1043 4.1043 4.6421 4.6421 5.5599 5.5599 6.1992 6.1992 6.4168 6.4168 7.5544 7.5544 7.8247 7.8247 7.9334 7.9334 9.2951 9.2951 9.5806 9.5806 k = 0.0883-0.1528-0.2917 ( 5183 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5823 -31.5823 -30.8202 -30.8202 -30.6401 -30.6401 -16.8077 -16.8077 -16.6312 -16.6312 -16.6276 -16.6276 -6.2627 -6.2627 -5.2996 -5.2996 2.3784 2.3784 4.0527 4.0527 4.6417 4.6417 5.4405 5.4405 6.1417 6.1417 6.3994 6.3994 7.5559 7.5559 7.8512 7.8512 7.9544 7.9544 9.2747 9.2747 9.5376 9.5376 k = 0.0942-0.1630-0.3112 ( 5195 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5826 -31.5826 -30.8206 -30.8206 -30.6401 -30.6401 -16.8080 -16.8080 -16.6315 -16.6315 -16.6279 -16.6279 -6.2371 -6.2371 -5.2911 -5.2911 2.4142 2.4142 4.0009 4.0009 4.6400 4.6400 5.3209 5.3209 6.0799 6.0799 6.3818 6.3818 7.5568 7.5568 7.8756 7.8756 7.9751 7.9751 9.2621 9.2621 9.4928 9.4928 k = 0.1001-0.1732-0.3306 ( 5193 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5829 -31.5829 -30.8211 -30.8211 -30.6401 -30.6401 -16.8083 -16.8083 -16.6319 -16.6319 -16.6281 -16.6281 -6.2102 -6.2102 -5.2823 -5.2823 2.4518 2.4518 3.9494 3.9494 4.6364 4.6364 5.2026 5.2026 6.0157 6.0157 6.3619 6.3619 7.5574 7.5574 7.8980 7.8980 7.9956 7.9956 9.2574 9.2574 9.4465 9.4465 k = 0.1060-0.1834-0.3501 ( 5185 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5832 -31.5832 -30.8215 -30.8215 -30.6401 -30.6401 -16.8086 -16.8086 -16.6323 -16.6323 -16.6283 -16.6283 -6.1820 -6.1820 -5.2733 -5.2733 2.4913 2.4913 3.8983 3.8983 4.6295 4.6295 5.0871 5.0871 5.9502 5.9502 6.3384 6.3384 7.5577 7.5577 7.9185 7.9185 8.0158 8.0158 9.2601 9.2601 9.3992 9.3992 k = 0.1119-0.1936-0.3695 ( 5189 PWs) bands (ev): -57.1851 -57.1851 -44.7606 -44.7606 -31.5835 -31.5835 -30.8220 -30.8220 -30.6401 -30.6401 -16.8089 -16.8089 -16.6328 -16.6328 -16.6284 -16.6284 -6.1526 -6.1526 -5.2639 -5.2639 2.5324 2.5324 3.8478 3.8478 4.6173 4.6173 4.9771 4.9771 5.8840 5.8840 6.3107 6.3107 7.5578 7.5578 7.9372 7.9372 8.0355 8.0355 9.2696 9.2696 9.3515 9.3515 k = 0.1178-0.2038-0.3890 ( 5197 PWs) bands (ev): -57.1851 -57.1851 -44.7605 -44.7605 -31.5839 -31.5839 -30.8225 -30.8225 -30.6401 -30.6401 -16.8093 -16.8093 -16.6333 -16.6333 -16.6286 -16.6286 -6.1221 -6.1221 -5.2544 -5.2544 2.5751 2.5751 3.7983 3.7983 4.5954 4.5954 4.8771 4.8771 5.8176 5.8176 6.2786 6.2786 7.5580 7.5580 7.9543 7.9543 8.0548 8.0548 9.2820 9.2820 9.3069 9.3069 k = 0.1237-0.2140-0.4084 ( 5193 PWs) bands (ev): -57.1850 -57.1850 -44.7605 -44.7605 -31.5842 -31.5842 -30.8230 -30.8230 -30.6401 -30.6401 -16.8096 -16.8096 -16.6338 -16.6338 -16.6287 -16.6287 -6.0905 -6.0905 -5.2447 -5.2447 2.6192 2.6192 3.7498 3.7498 4.5561 4.5561 4.7952 4.7952 5.7513 5.7513 6.2421 6.2421 7.5581 7.5581 7.9701 7.9701 8.0734 8.0734 9.2506 9.2506 9.3119 9.3119 k = 0.1295-0.2242-0.4279 ( 5193 PWs) bands (ev): -57.1850 -57.1850 -44.7604 -44.7604 -31.5845 -31.5845 -30.8236 -30.8236 -30.6401 -30.6401 -16.8099 -16.8099 -16.6344 -16.6344 -16.6288 -16.6288 -6.0580 -6.0580 -5.2349 -5.2349 2.6645 2.6645 3.7026 3.7026 4.4925 4.4925 4.7384 4.7384 5.6853 5.6853 6.2015 6.2015 7.5585 7.5585 7.9846 7.9846 8.0912 8.0912 9.2031 9.2031 9.3383 9.3383 k = 0.1354-0.2343-0.4473 ( 5183 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5848 -31.5848 -30.8240 -30.8240 -30.6401 -30.6401 -16.8102 -16.8102 -16.6350 -16.6350 -16.6288 -16.6288 -6.0246 -6.0246 -5.2250 -5.2250 2.7107 2.7107 3.6567 3.6567 4.4091 4.4091 4.7026 4.7026 5.6200 5.6200 6.1571 6.1571 7.5591 7.5591 7.9982 7.9982 8.1081 8.1081 9.1557 9.1557 9.3696 9.3696 k = 0.1413-0.2445-0.4668 ( 5185 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5852 -31.5852 -30.8246 -30.8246 -30.6400 -30.6400 -16.8106 -16.8106 -16.6356 -16.6356 -16.6289 -16.6289 -5.9904 -5.9904 -5.2151 -5.2151 2.7578 2.7578 3.6124 3.6124 4.3159 4.3159 4.6780 4.6780 5.5554 5.5554 6.1093 6.1093 7.5601 7.5601 8.0107 8.0107 8.1237 8.1237 9.1094 9.1094 9.4043 9.4043 k = 0.1472-0.2547-0.4862 ( 5183 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5855 -31.5855 -30.8251 -30.8251 -30.6400 -30.6400 -16.8109 -16.8109 -16.6362 -16.6362 -16.6289 -16.6289 -5.9554 -5.9554 -5.2052 -5.2052 2.8052 2.8052 3.5697 3.5697 4.2201 4.2201 4.6576 4.6576 5.4917 5.4917 6.0585 6.0585 7.5616 7.5616 8.0224 8.0224 8.1380 8.1380 9.0648 9.0648 9.4415 9.4415 k = 0.1531-0.2649-0.5057 ( 5181 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5858 -31.5858 -30.8256 -30.8256 -30.6400 -30.6400 -16.8113 -16.8113 -16.6368 -16.6368 -16.6290 -16.6290 -5.9199 -5.9199 -5.1954 -5.1954 2.8525 2.8525 3.5288 3.5288 4.1254 4.1254 4.6383 4.6383 5.4291 5.4291 6.0051 6.0051 7.5638 7.5638 8.0333 8.0333 8.1505 8.1505 9.0223 9.0223 9.4802 9.4802 k = 0.1590-0.2751-0.5251 ( 5183 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5862 -31.5862 -30.8262 -30.8262 -30.6400 -30.6400 -16.8117 -16.8117 -16.6374 -16.6374 -16.6290 -16.6290 -5.8839 -5.8839 -5.1857 -5.1857 2.8992 2.8992 3.4896 3.4896 4.0339 4.0339 4.6185 4.6185 5.3677 5.3677 5.9495 5.9495 7.5667 7.5667 8.0433 8.0433 8.1610 8.1610 8.9824 8.9824 9.5198 9.5198 k = 0.1649-0.2853-0.5446 ( 5181 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5865 -31.5865 -30.8267 -30.8267 -30.6400 -30.6400 -16.8120 -16.8120 -16.6380 -16.6380 -16.6291 -16.6291 -5.8475 -5.8475 -5.1762 -5.1762 2.9444 2.9444 3.4522 3.4522 3.9475 3.9475 4.5973 4.5973 5.3076 5.3076 5.8921 5.8921 7.5704 7.5704 8.0526 8.0526 8.1693 8.1693 8.9456 8.9456 9.5595 9.5595 k = 0.1708-0.2955-0.5640 ( 5185 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5869 -31.5869 -30.8272 -30.8272 -30.6400 -30.6400 -16.8124 -16.8124 -16.6386 -16.6386 -16.6292 -16.6292 -5.8108 -5.8108 -5.1669 -5.1669 2.9871 2.9871 3.4167 3.4167 3.8676 3.8676 4.5742 4.5742 5.2488 5.2488 5.8334 5.8334 7.5752 7.5752 8.0610 8.0610 8.1749 8.1749 8.9123 8.9123 9.5984 9.5984 k = 0.1766-0.3057-0.5835 ( 5189 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5872 -31.5872 -30.8277 -30.8277 -30.6400 -30.6400 -16.8127 -16.8127 -16.6391 -16.6391 -16.6292 -16.6292 -5.7739 -5.7739 -5.1579 -5.1579 3.0256 3.0256 3.3828 3.3828 3.7962 3.7962 4.5490 4.5490 5.1916 5.1916 5.7737 5.7737 7.5810 7.5810 8.0686 8.0686 8.1778 8.1778 8.8828 8.8828 9.6360 9.6360 k = 0.1825-0.3159-0.6029 ( 5195 PWs) bands (ev): -57.1845 -57.1845 -44.7601 -44.7601 -31.5876 -31.5876 -30.8282 -30.8282 -30.6400 -30.6400 -16.8131 -16.8131 -16.6397 -16.6397 -16.6293 -16.6293 -5.7370 -5.7370 -5.1492 -5.1492 3.0579 3.0579 3.3505 3.3505 3.7358 3.7358 4.5217 4.5217 5.1360 5.1360 5.7133 5.7133 7.5881 7.5881 8.0753 8.0753 8.1777 8.1777 8.8574 8.8574 9.6717 9.6717 k = 0.1884-0.3260-0.6224 ( 5199 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5879 -31.5879 -30.8287 -30.8287 -30.6400 -30.6400 -16.8135 -16.8135 -16.6403 -16.6403 -16.6294 -16.6294 -5.7002 -5.7002 -5.1408 -5.1408 3.0814 3.0814 3.3196 3.3196 3.6893 3.6893 4.4921 4.4921 5.0820 5.0820 5.6526 5.6526 7.5963 7.5963 8.0811 8.0811 8.1747 8.1747 8.8361 8.8361 9.7048 9.7048 k = 0.1943-0.3362-0.6418 ( 5203 PWs) bands (ev): -57.1844 -57.1844 -44.7600 -44.7600 -31.5882 -31.5882 -30.8292 -30.8292 -30.6400 -30.6400 -16.8138 -16.8138 -16.6408 -16.6408 -16.6295 -16.6295 -5.6635 -5.6635 -5.1328 -5.1328 3.0932 3.0932 3.2902 3.2902 3.6590 3.6590 4.4606 4.4606 5.0297 5.0297 5.5919 5.5919 7.6060 7.6060 8.0859 8.0859 8.1689 8.1689 8.8190 8.8190 9.7347 9.7347 k = 0.2002-0.3464-0.6613 ( 5207 PWs) bands (ev): -57.1844 -57.1844 -44.7600 -44.7600 -31.5885 -31.5885 -30.8297 -30.8297 -30.6400 -30.6400 -16.8141 -16.8141 -16.6413 -16.6413 -16.6295 -16.6295 -5.6272 -5.6272 -5.1253 -5.1253 3.0913 3.0913 3.2633 3.2633 3.6462 3.6462 4.4272 4.4272 4.9791 4.9791 5.5314 5.5314 7.6169 7.6169 8.0894 8.0894 8.1607 8.1607 8.8059 8.8059 9.7611 9.7611 k = 0.2061-0.3566-0.6807 ( 5203 PWs) bands (ev): -57.1844 -57.1844 -44.7599 -44.7599 -31.5888 -31.5888 -30.8301 -30.8301 -30.6400 -30.6400 -16.8144 -16.8144 -16.6418 -16.6418 -16.6296 -16.6296 -5.5912 -5.5912 -5.1182 -5.1182 3.0757 3.0757 3.2399 3.2399 3.6491 3.6491 4.3925 4.3925 4.9303 4.9303 5.4715 5.4715 7.6292 7.6292 8.0914 8.0914 8.1510 8.1510 8.7965 8.7965 9.7834 9.7834 k = 0.2120-0.3668-0.7002 ( 5205 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5891 -31.5891 -30.8306 -30.8306 -30.6400 -30.6400 -16.8147 -16.8147 -16.6423 -16.6423 -16.6297 -16.6297 -5.5559 -5.5559 -5.1116 -5.1116 3.0491 3.0491 3.2205 3.2205 3.6642 3.6642 4.3572 4.3572 4.8832 4.8832 5.4124 5.4124 7.6427 7.6427 8.0912 8.0912 8.1409 8.1409 8.7904 8.7904 9.8014 9.8014 k = 0.2179-0.3770-0.7196 ( 5209 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5894 -31.5894 -30.8310 -30.8310 -30.6400 -30.6400 -16.8150 -16.8150 -16.6427 -16.6427 -16.6298 -16.6298 -5.5212 -5.5212 -5.1055 -5.1055 3.0159 3.0159 3.2044 3.2044 3.6867 3.6867 4.3223 4.3223 4.8378 4.8378 5.3544 5.3544 7.6574 7.6574 8.0873 8.0873 8.1322 8.1322 8.7872 8.7872 9.8147 9.8147 k = 0.2238-0.3872-0.7391 ( 5213 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5897 -31.5897 -30.8314 -30.8314 -30.6400 -30.6400 -16.8153 -16.8153 -16.6432 -16.6432 -16.6299 -16.6299 -5.4873 -5.4873 -5.1001 -5.1001 2.9799 2.9799 3.1911 3.1911 3.7121 3.7121 4.2892 4.2892 4.7942 4.7942 5.2978 5.2978 7.6731 7.6731 8.0791 8.0791 8.1262 8.1262 8.7865 8.7865 9.8232 9.8232 k = 0.2296-0.3974-0.7585 ( 5209 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5899 -31.5899 -30.8318 -30.8318 -30.6400 -30.6400 -16.8156 -16.8156 -16.6435 -16.6435 -16.6299 -16.6299 -5.4543 -5.4543 -5.0952 -5.0952 2.9438 2.9438 3.1801 3.1801 3.7359 3.7359 4.2601 4.2601 4.7523 4.7523 5.2428 5.2428 7.6897 7.6897 8.0673 8.0673 8.1229 8.1229 8.7878 8.7878 9.8267 9.8267 k = 0.2355-0.4075-0.7780 ( 5211 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5901 -31.5901 -30.8322 -30.8322 -30.6400 -30.6400 -16.8158 -16.8158 -16.6439 -16.6439 -16.6300 -16.6300 -5.4224 -5.4224 -5.0909 -5.0909 2.9095 2.9095 3.1711 3.1711 3.7538 3.7538 4.2378 4.2378 4.7120 4.7120 5.1898 5.1898 7.7068 7.7068 8.0534 8.0534 8.1212 8.1212 8.7909 8.7909 9.8253 9.8253 k = 0.2414-0.4177-0.7974 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5904 -31.5904 -30.8325 -30.8325 -30.6400 -30.6400 -16.8161 -16.8161 -16.6443 -16.6443 -16.6301 -16.6301 -5.3916 -5.3916 -5.0872 -5.0872 2.8782 2.8782 3.1641 3.1641 3.7616 3.7616 4.2253 4.2253 4.6733 4.6733 5.1390 5.1390 7.7242 7.7242 8.0390 8.0390 8.1201 8.1201 8.7956 8.7956 9.8191 9.8191 k = 0.2473-0.4279-0.8169 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5906 -31.5906 -30.8328 -30.8328 -30.6400 -30.6400 -16.8163 -16.8163 -16.6446 -16.6446 -16.6302 -16.6302 -5.3621 -5.3621 -5.0842 -5.0842 2.8508 2.8508 3.1590 3.1590 3.7563 3.7563 4.2248 4.2248 4.6361 4.6361 5.0907 5.0907 7.7413 7.7413 8.0251 8.0251 8.1191 8.1191 8.8017 8.8017 9.8082 9.8082 k = 0.2532-0.4381-0.8363 ( 5205 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8331 -30.8331 -30.6400 -30.6400 -16.8164 -16.8164 -16.6448 -16.6448 -16.6302 -16.6302 -5.3339 -5.3339 -5.0818 -5.0818 2.8278 2.8278 3.1556 3.1556 3.7374 3.7374 4.2366 4.2366 4.6005 4.6005 5.0451 5.0451 7.7577 7.7577 8.0126 8.0126 8.1180 8.1180 8.8091 8.8091 9.7928 9.7928 k = 0.2591-0.4483-0.8558 ( 5199 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5909 -31.5909 -30.8334 -30.8334 -30.6400 -30.6400 -16.8166 -16.8166 -16.6451 -16.6451 -16.6303 -16.6303 -5.3071 -5.3071 -5.0801 -5.0801 2.8095 2.8095 3.1538 3.1538 3.7066 3.7066 4.2584 4.2584 4.5664 4.5664 5.0027 5.0027 7.7727 7.7727 8.0022 8.0022 8.1168 8.1168 8.8179 8.8179 9.7734 9.7734 k = 0.2650-0.4585-0.8752 ( 5193 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5911 -31.5911 -30.8336 -30.8336 -30.6400 -30.6400 -16.8168 -16.8168 -16.6453 -16.6453 -16.6304 -16.6304 -5.2818 -5.2818 -5.0791 -5.0791 2.7963 2.7963 3.1533 3.1533 3.6665 3.6665 4.2872 4.2872 4.5339 4.5339 4.9635 4.9635 7.7857 7.7857 7.9946 7.9946 8.1153 8.1153 8.8280 8.8280 9.7501 9.7501 k = 0.2709-0.4687-0.8947 ( 5197 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8338 -30.8338 -30.6400 -30.6400 -16.8169 -16.8169 -16.6455 -16.6455 -16.6305 -16.6305 -5.2581 -5.2581 -5.0786 -5.0786 2.7884 2.7884 3.1540 3.1540 3.6198 3.6198 4.3198 4.3198 4.5036 4.5036 4.9279 4.9279 7.7959 7.7959 7.9900 7.9900 8.1136 8.1136 8.8397 8.8397 9.7236 9.7236 k = 0.2767-0.4789-0.9141 ( 5199 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8341 -30.8341 -30.6400 -30.6400 -16.8170 -16.8170 -16.6457 -16.6457 -16.6306 -16.6306 -5.2360 -5.2360 -5.0788 -5.0788 2.7859 2.7859 3.1556 3.1556 3.5686 3.5686 4.3530 4.3530 4.4766 4.4766 4.8961 4.8961 7.8030 7.8030 7.9889 7.9889 8.1116 8.1116 8.8531 8.8531 9.6942 9.6942 k = 0.2826-0.4891-0.9336 ( 5193 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5915 -31.5915 -30.8342 -30.8342 -30.6400 -30.6400 -16.8171 -16.8171 -16.6458 -16.6458 -16.6306 -16.6306 -5.2156 -5.2156 -5.0797 -5.0797 2.7889 2.7889 3.1576 3.1576 3.5144 3.5144 4.3800 4.3800 4.4581 4.4581 4.8682 4.8682 7.8070 7.8070 7.9910 7.9910 8.1094 8.1094 8.8685 8.8685 9.6624 9.6624 k = 0.2885-0.4992-0.9530 ( 5189 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5916 -31.5916 -30.8344 -30.8344 -30.6400 -30.6400 -16.8172 -16.8172 -16.6460 -16.6460 -16.6307 -16.6307 -5.1968 -5.1968 -5.0811 -5.0811 2.7974 2.7974 3.1596 3.1596 3.4586 3.4586 4.3854 4.3854 4.4627 4.4627 4.8442 4.8442 7.8083 7.8083 7.9954 7.9954 8.1069 8.1069 8.8861 8.8861 9.6288 9.6288 k = 0.2944-0.5094-0.9725 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5916 -31.5916 -30.8345 -30.8345 -30.6400 -30.6400 -16.8173 -16.8173 -16.6461 -16.6461 -16.6308 -16.6308 -5.1798 -5.1798 -5.0832 -5.0832 2.8114 2.8114 3.1608 3.1608 3.4025 3.4025 4.3700 4.3700 4.4890 4.4890 4.8243 4.8243 7.8076 7.8076 8.0013 8.0013 8.1042 8.1042 8.9061 8.9061 9.5938 9.5938 k = 0.3003-0.5196-0.9919 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5917 -31.5917 -30.8346 -30.8346 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6308 -16.6308 -5.1645 -5.1645 -5.0857 -5.0857 2.8307 2.8307 3.1599 3.1599 3.3477 3.3477 4.3495 4.3495 4.5209 4.5209 4.8084 4.8084 7.8056 7.8056 8.0078 8.0078 8.1012 8.1012 8.9287 8.9287 9.5581 9.5581 k = 0.3062-0.5298-1.0114 ( 5187 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8347 -30.8347 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6309 -16.6309 -5.1510 -5.1510 -5.0889 -5.0889 2.8552 2.8552 3.1539 3.1539 3.2975 3.2975 4.3292 4.3292 4.5531 4.5531 4.7965 4.7965 7.8027 7.8027 8.0139 8.0139 8.0979 8.0979 8.9540 8.9540 9.5220 9.5220 k = 0.3121-0.5400-1.0308 ( 5187 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1391 -5.1391 -5.0925 -5.0925 2.8844 2.8844 3.1375 3.1375 3.2577 3.2577 4.3105 4.3105 4.5839 4.5839 4.7884 4.7884 7.7994 7.7994 8.0192 8.0192 8.0943 8.0943 8.9823 8.9823 9.4862 9.4862 k = 0.3180-0.5502-1.0503 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1288 -5.1288 -5.0966 -5.0966 2.9173 2.9173 3.1060 3.1060 3.2338 3.2338 4.2943 4.2943 4.6127 4.6127 4.7842 4.7842 7.7957 7.7957 8.0232 8.0232 8.0904 8.0904 9.0133 9.0133 9.4511 9.4511 k = 0.3239-0.5604-1.0697 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1202 -5.1202 -5.1011 -5.1011 2.9504 2.9504 3.0657 3.0657 3.2231 3.2231 4.2808 4.2808 4.6390 4.6390 4.7837 4.7837 7.7917 7.7917 8.0259 8.0259 8.0862 8.0862 9.0472 9.0472 9.4172 9.4172 k = 0.3297-0.5706-1.0892 ( 5179 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6399 -30.6399 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1133 -5.1133 -5.1058 -5.1058 2.9640 2.9640 3.0421 3.0421 3.2195 3.2195 4.2705 4.2705 4.6627 4.6627 4.7868 4.7868 7.7872 7.7872 8.0272 8.0272 8.0818 8.0818 9.0837 9.0837 9.3851 9.3851 k = 0.3356-0.5808-1.1086 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1120 -5.1120 -5.1068 -5.1068 2.9299 2.9299 3.0651 3.0651 3.2211 3.2211 4.2635 4.2635 4.6835 4.6835 4.7933 4.7933 7.7821 7.7821 8.0272 8.0272 8.0772 8.0772 9.1227 9.1227 9.3553 9.3553 k = 0.3415-0.5909-1.1281 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1173 -5.1173 -5.1030 -5.1030 2.8790 2.8790 3.1006 3.1006 3.2312 3.2312 4.2599 4.2599 4.7017 4.7017 4.8030 4.8030 7.7760 7.7760 8.0259 8.0259 8.0726 8.0726 9.1638 9.1638 9.3281 9.3281 k = 0.6585-0.4569-1.0469 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1173 -5.1173 -5.1030 -5.1030 2.8790 2.8790 3.1006 3.1006 3.2312 3.2312 4.2599 4.2599 4.7017 4.7017 4.8030 4.8030 7.7760 7.7760 8.0259 8.0259 8.0726 8.0726 9.1638 9.1638 9.3281 9.3281 k = 0.6526-0.4350-1.0469 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5919 -31.5919 -30.8349 -30.8349 -30.6400 -30.6400 -16.8175 -16.8175 -16.6464 -16.6464 -16.6310 -16.6310 -5.1231 -5.1231 -5.1001 -5.1001 2.8253 2.8253 3.1265 3.1265 3.2577 3.2577 4.2597 4.2597 4.7172 4.7172 4.8153 4.8153 7.7685 7.7685 8.0234 8.0234 8.0683 8.0683 9.2065 9.2065 9.3041 9.3041 k = 0.6467-0.4131-1.0469 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1292 -5.1292 -5.0985 -5.0985 2.7713 2.7713 3.1366 3.1366 3.3042 3.3042 4.2628 4.2628 4.7306 4.7306 4.8299 4.8299 7.7594 7.7594 8.0196 8.0196 8.0649 8.0649 9.2502 9.2502 9.2841 9.2841 k = 0.6409-0.3912-1.0469 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8348 -30.8348 -30.6400 -30.6400 -16.8175 -16.8175 -16.6463 -16.6463 -16.6309 -16.6309 -5.1355 -5.1355 -5.0979 -5.0979 2.7180 2.7180 3.1357 3.1357 3.3649 3.3649 4.2691 4.2691 4.7423 4.7423 4.8460 4.8460 7.7482 7.7482 8.0143 8.0143 8.0627 8.0627 9.2650 9.2650 9.2980 9.2980 k = 0.6350-0.3693-1.0469 ( 5185 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5918 -31.5918 -30.8347 -30.8347 -30.6400 -30.6400 -16.8174 -16.8174 -16.6463 -16.6463 -16.6308 -16.6308 -5.1419 -5.1419 -5.0984 -5.0984 2.6657 2.6657 3.1291 3.1291 3.4341 3.4341 4.2785 4.2785 4.7523 4.7523 4.8634 4.8634 7.7349 7.7349 8.0076 8.0076 8.0622 8.0622 9.2529 9.2529 9.3436 9.3436 k = 0.6291-0.3474-1.0469 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7595 -44.7595 -31.5917 -31.5917 -30.8346 -30.8346 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6307 -16.6307 -5.1485 -5.1485 -5.0998 -5.0998 2.6147 2.6147 3.1191 3.1191 3.5092 3.5092 4.2906 4.2906 4.7610 4.7610 4.8817 4.8817 7.7192 7.7192 7.9996 7.9996 8.0633 8.0633 9.2445 9.2445 9.3902 9.3902 k = 0.6233-0.3255-1.0469 ( 5191 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5917 -31.5917 -30.8346 -30.8346 -30.6400 -30.6400 -16.8174 -16.8174 -16.6462 -16.6462 -16.6306 -16.6306 -5.1551 -5.1551 -5.1020 -5.1020 2.5652 2.5652 3.1071 3.1071 3.5887 3.5887 4.3053 4.3053 4.7686 4.7686 4.9007 4.9007 7.7010 7.7010 7.9905 7.9905 8.0661 8.0661 9.2404 9.2404 9.4368 9.4368 k = 0.6174-0.3036-1.0469 ( 5183 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5916 -31.5916 -30.8345 -30.8345 -30.6400 -30.6400 -16.8173 -16.8173 -16.6462 -16.6462 -16.6305 -16.6305 -5.1617 -5.1617 -5.1050 -5.1050 2.5174 2.5174 3.0937 3.0937 3.6716 3.6716 4.3225 4.3225 4.7750 4.7750 4.9199 4.9199 7.6803 7.6803 7.9808 7.9808 8.0702 8.0702 9.2411 9.2411 9.4832 9.4832 k = 0.6115-0.2818-1.0469 ( 5177 PWs) bands (ev): -57.1839 -57.1839 -44.7596 -44.7596 -31.5915 -31.5915 -30.8343 -30.8343 -30.6399 -30.6399 -16.8173 -16.8173 -16.6462 -16.6462 -16.6303 -16.6303 -5.1683 -5.1683 -5.1085 -5.1085 2.4714 2.4714 3.0793 3.0793 3.7571 3.7571 4.3418 4.3418 4.7807 4.7807 4.9392 4.9392 7.6573 7.6573 7.9708 7.9708 8.0755 8.0755 9.2464 9.2464 9.5290 9.5290 k = 0.6057-0.2599-1.0469 ( 5179 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5915 -31.5915 -30.8342 -30.8342 -30.6399 -30.6399 -16.8172 -16.8172 -16.6462 -16.6462 -16.6302 -16.6302 -5.1749 -5.1749 -5.1126 -5.1126 2.4272 2.4272 3.0642 3.0642 3.8445 3.8445 4.3631 4.3631 4.7857 4.7857 4.9583 4.9583 7.6320 7.6320 7.9606 7.9606 8.0817 8.0817 9.2565 9.2565 9.5737 9.5737 k = 0.5998-0.2380-1.0469 ( 5181 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8341 -30.8341 -30.6399 -30.6399 -16.8172 -16.8172 -16.6462 -16.6462 -16.6301 -16.6301 -5.1813 -5.1813 -5.1170 -5.1170 2.3851 2.3851 3.0489 3.0489 3.9329 3.9329 4.3864 4.3864 4.7904 4.7904 4.9768 4.9768 7.6044 7.6044 7.9507 7.9507 8.0886 8.0886 9.2713 9.2713 9.6171 9.6171 k = 0.5939-0.2161-1.0469 ( 5190 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5914 -31.5914 -30.8341 -30.8341 -30.6399 -30.6399 -16.8172 -16.8172 -16.6462 -16.6462 -16.6299 -16.6299 -5.1876 -5.1876 -5.1218 -5.1218 2.3449 2.3449 3.0335 3.0335 4.0213 4.0213 4.4115 4.4115 4.7953 4.7953 4.9946 4.9946 7.5749 7.5749 7.9411 7.9411 8.0958 8.0958 9.2909 9.2909 9.6590 9.6590 k = 0.5880-0.1942-1.0469 ( 5194 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5913 -31.5913 -30.8340 -30.8340 -30.6399 -30.6399 -16.8171 -16.8171 -16.6462 -16.6462 -16.6298 -16.6298 -5.1937 -5.1937 -5.1268 -5.1268 2.3069 2.3069 3.0182 3.0182 4.1083 4.1083 4.4386 4.4386 4.8008 4.8008 5.0114 5.0114 7.5433 7.5433 7.9322 7.9322 8.1034 8.1034 9.3150 9.3150 9.6990 9.6990 k = 0.5822-0.1723-1.0469 ( 5200 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5913 -31.5913 -30.8339 -30.8339 -30.6400 -30.6400 -16.8171 -16.8171 -16.6462 -16.6462 -16.6296 -16.6296 -5.1995 -5.1995 -5.1319 -5.1319 2.2711 2.2711 3.0032 3.0032 4.1922 4.1922 4.4680 4.4680 4.8077 4.8077 5.0272 5.0272 7.5100 7.5100 7.9240 7.9240 8.1110 8.1110 9.3436 9.3436 9.7371 9.7371 k = 0.5763-0.1504-1.0469 ( 5206 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8338 -30.8338 -30.6400 -30.6400 -16.8171 -16.8171 -16.6462 -16.6462 -16.6295 -16.6295 -5.2052 -5.2052 -5.1371 -5.1371 2.2375 2.2375 2.9887 2.9887 4.2706 4.2706 4.5001 4.5001 4.8169 4.8169 5.0421 5.0421 7.4750 7.4750 7.9167 7.9167 8.1186 8.1186 9.3764 9.3764 9.7729 9.7729 k = 0.5704-0.1286-1.0469 ( 5208 PWs) bands (ev): -57.1840 -57.1840 -44.7596 -44.7596 -31.5912 -31.5912 -30.8337 -30.8337 -30.6400 -30.6400 -16.8170 -16.8170 -16.6462 -16.6462 -16.6293 -16.6293 -5.2105 -5.2105 -5.1422 -5.1422 2.2063 2.2063 2.9748 2.9748 4.3407 4.3407 4.5354 4.5354 4.8295 4.8295 5.0562 5.0562 7.4386 7.4386 7.9103 7.9103 8.1259 8.1259 9.4132 9.4132 9.8065 9.8065 k = 0.5646-0.1067-1.0469 ( 5204 PWs) bands (ev): -57.1840 -57.1840 -44.7597 -44.7597 -31.5911 -31.5911 -30.8336 -30.8336 -30.6399 -30.6399 -16.8170 -16.8170 -16.6462 -16.6462 -16.6292 -16.6292 -5.2155 -5.2155 -5.1472 -5.1472 2.1773 2.1773 2.9617 2.9617 4.3998 4.3998 4.5733 4.5733 4.8470 4.8470 5.0705 5.0705 7.4010 7.4010 7.9049 7.9049 8.1330 8.1330 9.4536 9.4536 9.8375 9.8375 k = 0.5587-0.0848-1.0469 ( 5204 PWs) bands (ev): -57.1840 -57.1840 -44.7597 -44.7597 -31.5910 -31.5910 -30.8335 -30.8335 -30.6399 -30.6399 -16.8170 -16.8170 -16.6462 -16.6462 -16.6290 -16.6290 -5.2202 -5.2202 -5.1520 -5.1520 2.1508 2.1508 2.9494 2.9494 4.4474 4.4474 4.6115 4.6115 4.8701 4.8701 5.0862 5.0862 7.3624 7.3624 7.9004 7.9004 8.1397 8.1397 9.4971 9.4971 9.8661 9.8661 k = 0.5528-0.0629-1.0469 ( 5196 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5909 -31.5909 -30.8334 -30.8334 -30.6399 -30.6399 -16.8169 -16.8169 -16.6462 -16.6462 -16.6288 -16.6288 -5.2245 -5.2245 -5.1565 -5.1565 2.1266 2.1266 2.9380 2.9380 4.4848 4.4848 4.6465 4.6465 4.8975 4.8975 5.1057 5.1057 7.3233 7.3233 7.8968 7.8968 8.1458 8.1458 9.5431 9.5431 9.8921 9.8921 k = 0.5470-0.0410-1.0469 ( 5188 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5909 -31.5909 -30.8333 -30.8333 -30.6399 -30.6399 -16.8169 -16.8169 -16.6462 -16.6462 -16.6286 -16.6286 -5.2284 -5.2284 -5.1607 -5.1607 2.1050 2.1050 2.9276 2.9276 4.5142 4.5142 4.6761 4.6761 4.9247 4.9247 5.1320 5.1320 7.2842 7.2842 7.8940 7.8940 8.1515 8.1515 9.5907 9.5907 9.9155 9.9155 k = 0.5411-0.0191-1.0469 ( 5186 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8332 -30.8332 -30.6399 -30.6399 -16.8168 -16.8168 -16.6462 -16.6462 -16.6285 -16.6285 -5.2319 -5.2319 -5.1646 -5.1646 2.0858 2.0858 2.9183 2.9183 4.5375 4.5375 4.7008 4.7008 4.9464 4.9464 5.1673 5.1673 7.2457 7.2457 7.8919 7.8919 8.1566 8.1566 9.6390 9.6390 9.9363 9.9363 k = 0.5352 0.0028-1.0469 ( 5190 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5908 -31.5908 -30.8331 -30.8331 -30.6399 -30.6399 -16.8168 -16.8168 -16.6462 -16.6462 -16.6284 -16.6284 -5.2350 -5.2350 -5.1680 -5.1680 2.0691 2.0691 2.9102 2.9102 4.5558 4.5558 4.7220 4.7220 4.9600 4.9600 5.2100 5.2100 7.2086 7.2086 7.8904 7.8904 8.1610 8.1610 9.6866 9.6866 9.9545 9.9545 k = 0.5293 0.0247-1.0469 ( 5184 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8331 -30.8331 -30.6399 -30.6399 -16.8168 -16.8168 -16.6462 -16.6462 -16.6283 -16.6283 -5.2377 -5.2377 -5.1710 -5.1710 2.0549 2.0549 2.9032 2.9032 4.5699 4.5699 4.7407 4.7407 4.9662 4.9662 5.2561 5.2561 7.1740 7.1740 7.8893 7.8893 8.1648 8.1648 9.7319 9.7319 9.9703 9.9703 k = 0.5235 0.0465-1.0469 ( 5192 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6282 -16.6282 -5.2398 -5.2398 -5.1735 -5.1735 2.0433 2.0433 2.8974 2.8974 4.5804 4.5804 4.7575 4.7575 4.9673 4.9673 5.3006 5.3006 7.1430 7.1430 7.8886 7.8886 8.1679 8.1679 9.7731 9.7731 9.9837 9.9837 k = 0.5176 0.0684-1.0469 ( 5194 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2415 -5.2415 -5.1755 -5.1755 2.0343 2.0343 2.8929 2.8929 4.5878 4.5878 4.7722 4.7722 4.9653 4.9653 5.3395 5.3395 7.1171 7.1171 7.8882 7.8882 8.1703 8.1703 9.8082 9.8082 9.9946 9.9946 k = 0.5117 0.0903-1.0469 ( 5194 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2428 -5.2428 -5.1769 -5.1769 2.0278 2.0278 2.8897 2.8897 4.5928 4.5928 4.7840 4.7840 4.9622 4.9622 5.3695 5.3695 7.0973 7.0973 7.8880 7.8880 8.1721 8.1721 9.8350 9.8350 10.0028 10.0028 k = 0.5059 0.1122-1.0469 ( 5192 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6398 -30.6398 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2435 -5.2435 -5.1777 -5.1777 2.0239 2.0239 2.8877 2.8877 4.5956 4.5956 4.7917 4.7917 4.9594 4.9594 5.3884 5.3884 7.0849 7.0849 7.8878 7.8878 8.1731 8.1731 9.8518 9.8518 10.0081 10.0081 k = 0.5000 0.1341-1.0469 ( 5196 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2437 -5.2437 -5.1780 -5.1780 2.0226 2.0226 2.8871 2.8871 4.5965 4.5965 4.7944 4.7944 4.9583 4.9583 5.3949 5.3949 7.0807 7.0807 7.8878 7.8878 8.1735 8.1735 9.8575 9.8575 10.0099 10.0099 k = 0.5000 0.1341-1.0469 ( 5196 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2437 -5.2437 -5.1780 -5.1780 2.0226 2.0226 2.8871 2.8871 4.5965 4.5965 4.7944 4.7944 4.9583 4.9583 5.3949 5.3949 7.0807 7.0807 7.8878 7.8878 8.1735 8.1735 9.8575 9.8575 10.0099 10.0099 k = 0.5198 0.1394-1.0368 ( 5196 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6398 -30.6398 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2439 -5.2439 -5.1781 -5.1781 2.0235 2.0235 2.8877 2.8877 4.5952 4.5952 4.7939 4.7939 4.9577 4.9577 5.3950 5.3950 7.0813 7.0813 7.8878 7.8878 8.1734 8.1734 9.8566 9.8566 10.0042 10.0042 k = 0.5396 0.1447-1.0267 ( 5202 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2443 -5.2443 -5.1782 -5.1782 2.0259 2.0259 2.8894 2.8894 4.5911 4.5911 4.7926 4.7926 4.9558 4.9558 5.3955 5.3955 7.0830 7.0830 7.8879 7.8879 8.1733 8.1733 9.8539 9.8539 9.9880 9.9880 k = 0.5594 0.1500-1.0165 ( 5206 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2449 -5.2449 -5.1784 -5.1784 2.0299 2.0299 2.8923 2.8923 4.5842 4.5842 4.7905 4.7905 4.9526 4.9526 5.3964 5.3964 7.0857 7.0857 7.8881 7.8881 8.1731 8.1731 9.8492 9.8492 9.9631 9.9631 k = 0.5792 0.1553-1.0064 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2460 -5.2460 -5.1787 -5.1787 2.0355 2.0355 2.8963 2.8963 4.5746 4.5746 4.7878 4.7878 4.9482 4.9482 5.3975 5.3975 7.0896 7.0896 7.8884 7.8884 8.1729 8.1729 9.8415 9.8415 9.9328 9.9328 k = 0.5990 0.1607-0.9962 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2474 -5.2474 -5.1789 -5.1789 2.0426 2.0426 2.9014 2.9014 4.5622 4.5622 4.7846 4.7846 4.9427 4.9427 5.3990 5.3990 7.0944 7.0944 7.8888 7.8888 8.1726 8.1726 9.8289 9.8289 9.9013 9.9013 k = 0.6189 0.1660-0.9861 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2493 -5.2493 -5.1789 -5.1789 2.0513 2.0513 2.9075 2.9075 4.5469 4.5469 4.7810 4.7810 4.9362 4.9362 5.4008 5.4008 7.1001 7.1001 7.8892 7.8892 8.1725 8.1725 9.8073 9.8073 9.8747 9.8747 k = 0.6387 0.1713-0.9759 ( 5209 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2517 -5.2517 -5.1788 -5.1788 2.0614 2.0614 2.9146 2.9146 4.5288 4.5288 4.7773 4.7773 4.9289 4.9289 5.4030 5.4030 7.1067 7.1067 7.8897 7.8897 8.1724 8.1724 9.7753 9.7753 9.8563 9.8563 k = 0.6585 0.1766-0.9658 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2548 -5.2548 -5.1784 -5.1784 2.0729 2.0729 2.9225 2.9225 4.5080 4.5080 4.7734 4.7734 4.9210 4.9210 5.4055 5.4055 7.1139 7.1139 7.8904 7.8904 8.1725 8.1725 9.7372 9.7372 9.8433 9.8433 k = 0.6585 0.1766-0.9658 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2548 -5.2548 -5.1784 -5.1784 2.0729 2.0729 2.9225 2.9225 4.5080 4.5080 4.7734 4.7734 4.9210 4.9210 5.4055 5.4055 7.1139 7.1139 7.8904 7.8904 8.1725 8.1725 9.7372 9.7372 9.8433 9.8433 k = 0.6551 0.1757-0.9435 ( 5212 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5906 -31.5906 -30.8328 -30.8328 -30.6399 -30.6399 -16.8167 -16.8167 -16.6461 -16.6461 -16.6281 -16.6281 -5.2696 -5.2696 -5.1737 -5.1737 2.0861 2.0861 2.9251 2.9251 4.5006 4.5006 4.7739 4.7739 4.9443 4.9443 5.4085 5.4085 7.1097 7.1097 7.8928 7.8928 8.1735 8.1735 9.7096 9.7096 9.8397 9.8397 k = 0.6517 0.1748-0.9213 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5905 -31.5905 -30.8327 -30.8327 -30.6399 -30.6399 -16.8166 -16.8166 -16.6460 -16.6460 -16.6282 -16.6282 -5.2875 -5.2875 -5.1693 -5.1693 2.1051 2.1051 2.9295 2.9295 4.4886 4.4886 4.7740 4.7740 4.9721 4.9721 5.4128 5.4128 7.1065 7.1065 7.8960 7.8960 8.1753 8.1753 9.6771 9.6771 9.8360 9.8360 k = 0.6484 0.1739-0.8990 ( 5209 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5904 -31.5904 -30.8325 -30.8325 -30.6399 -30.6399 -16.8164 -16.8164 -16.6458 -16.6458 -16.6282 -16.6282 -5.3077 -5.3077 -5.1659 -5.1659 2.1294 2.1294 2.9357 2.9357 4.4729 4.4729 4.7741 4.7741 5.0029 5.0029 5.4185 5.4185 7.1042 7.1042 7.8998 7.8998 8.1778 8.1778 9.6403 9.6403 9.8322 9.8322 k = 0.6450 0.1730-0.8767 ( 5205 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5903 -31.5903 -30.8323 -30.8323 -30.6399 -30.6399 -16.8163 -16.8163 -16.6455 -16.6455 -16.6282 -16.6282 -5.3297 -5.3297 -5.1637 -5.1637 2.1590 2.1590 2.9438 2.9438 4.4543 4.4543 4.7744 4.7744 5.0356 5.0356 5.4257 5.4257 7.1030 7.1030 7.9044 7.9044 8.1811 8.1811 9.5998 9.5998 9.8280 9.8280 k = 0.6416 0.1721-0.8544 ( 5199 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5901 -31.5901 -30.8321 -30.8321 -30.6399 -30.6399 -16.8161 -16.8161 -16.6452 -16.6452 -16.6282 -16.6282 -5.3535 -5.3535 -5.1629 -5.1629 2.1936 2.1936 2.9540 2.9540 4.4333 4.4333 4.7748 4.7748 5.0695 5.0695 5.4345 5.4345 7.1028 7.1028 7.9096 7.9096 8.1851 8.1851 9.5562 9.5562 9.8235 9.8235 k = 0.6382 0.1712-0.8322 ( 5199 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5900 -31.5900 -30.8318 -30.8318 -30.6399 -30.6399 -16.8159 -16.8159 -16.6449 -16.6449 -16.6282 -16.6282 -5.3787 -5.3787 -5.1635 -5.1635 2.2329 2.2329 2.9662 2.9662 4.4106 4.4106 4.7754 4.7754 5.1041 5.1041 5.4449 5.4449 7.1035 7.1035 7.9153 7.9153 8.1895 8.1895 9.5103 9.5103 9.8185 9.8185 k = 0.6349 0.1703-0.8099 ( 5196 PWs) bands (ev): -57.1842 -57.1842 -44.7598 -44.7598 -31.5898 -31.5898 -30.8315 -30.8315 -30.6399 -30.6399 -16.8157 -16.8157 -16.6446 -16.6446 -16.6282 -16.6282 -5.4054 -5.4054 -5.1655 -5.1655 2.2765 2.2765 2.9806 2.9806 4.3865 4.3865 4.7761 4.7761 5.1391 5.1391 5.4571 5.4571 7.1053 7.1053 7.9215 7.9215 8.1942 8.1942 9.4625 9.4625 9.8132 9.8132 k = 0.6315 0.1694-0.7876 ( 5196 PWs) bands (ev): -57.1843 -57.1843 -44.7598 -44.7598 -31.5896 -31.5896 -30.8312 -30.8312 -30.6399 -30.6399 -16.8155 -16.8155 -16.6442 -16.6442 -16.6282 -16.6282 -5.4333 -5.4333 -5.1687 -5.1687 2.3241 2.3241 2.9971 2.9971 4.3615 4.3615 4.7767 4.7767 5.1741 5.1741 5.4712 5.4712 7.1081 7.1081 7.9282 7.9282 8.1993 8.1993 9.4137 9.4137 9.8074 9.8074 k = 0.6281 0.1685-0.7653 ( 5194 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5893 -31.5893 -30.8309 -30.8309 -30.6399 -30.6399 -16.8152 -16.8152 -16.6438 -16.6438 -16.6282 -16.6282 -5.4624 -5.4624 -5.1733 -5.1733 2.3753 2.3753 3.0158 3.0158 4.3362 4.3362 4.7772 4.7772 5.2090 5.2090 5.4872 5.4872 7.1120 7.1120 7.9353 7.9353 8.2044 8.2044 9.3644 9.3644 9.8013 9.8013 k = 0.6248 0.1675-0.7431 ( 5200 PWs) bands (ev): -57.1843 -57.1843 -44.7599 -44.7599 -31.5891 -31.5891 -30.8306 -30.8306 -30.6399 -30.6399 -16.8150 -16.8150 -16.6434 -16.6434 -16.6283 -16.6283 -5.4924 -5.4924 -5.1789 -5.1789 2.4294 2.4294 3.0368 3.0368 4.3111 4.3111 4.7774 4.7774 5.2434 5.2434 5.5051 5.5051 7.1169 7.1169 7.9426 7.9426 8.2096 8.2096 9.3152 9.3152 9.7949 9.7949 k = 0.6214 0.1666-0.7208 ( 5192 PWs) bands (ev): -57.1844 -57.1844 -44.7599 -44.7599 -31.5888 -31.5888 -30.8302 -30.8302 -30.6399 -30.6399 -16.8146 -16.8146 -16.6429 -16.6429 -16.6283 -16.6283 -5.5234 -5.5234 -5.1857 -5.1857 2.4861 2.4861 3.0599 3.0599 4.2869 4.2869 4.7773 4.7773 5.2772 5.2772 5.5250 5.5250 7.1229 7.1229 7.9501 7.9501 8.2148 8.2148 9.2665 9.2665 9.7882 9.7882 k = 0.6180 0.1657-0.6985 ( 5199 PWs) bands (ev): -57.1844 -57.1844 -44.7599 -44.7599 -31.5886 -31.5886 -30.8298 -30.8298 -30.6400 -30.6400 -16.8144 -16.8144 -16.6424 -16.6424 -16.6283 -16.6283 -5.5552 -5.5552 -5.1935 -5.1935 2.5446 2.5446 3.0851 3.0851 4.2643 4.2643 4.7768 4.7768 5.3103 5.3103 5.5465 5.5465 7.1302 7.1302 7.9577 7.9577 8.2199 8.2199 9.2190 9.2190 9.7814 9.7814 k = 0.6146 0.1648-0.6762 ( 5195 PWs) bands (ev): -57.1844 -57.1844 -44.7600 -44.7600 -31.5883 -31.5883 -30.8294 -30.8294 -30.6400 -30.6400 -16.8140 -16.8140 -16.6419 -16.6419 -16.6283 -16.6283 -5.5876 -5.5876 -5.2021 -5.2021 2.6043 2.6043 3.1120 3.1120 4.2442 4.2442 4.7759 4.7759 5.3426 5.3426 5.5696 5.5696 7.1387 7.1387 7.9652 7.9652 8.2250 8.2250 9.1729 9.1729 9.7745 9.7745 k = 0.6113 0.1639-0.6540 ( 5193 PWs) bands (ev): -57.1845 -57.1845 -44.7600 -44.7600 -31.5880 -31.5880 -30.8289 -30.8289 -30.6400 -30.6400 -16.8137 -16.8137 -16.6413 -16.6413 -16.6284 -16.6284 -5.6205 -5.6205 -5.2116 -5.2116 2.6646 2.6646 3.1402 3.1402 4.2278 4.2278 4.7744 4.7744 5.3739 5.3739 5.5939 5.5939 7.1486 7.1486 7.9726 7.9726 8.2301 8.2301 9.1287 9.1287 9.7677 9.7677 k = 0.6079 0.1630-0.6317 ( 5197 PWs) bands (ev): -57.1845 -57.1845 -44.7601 -44.7601 -31.5877 -31.5877 -30.8285 -30.8285 -30.6400 -30.6400 -16.8134 -16.8134 -16.6408 -16.6408 -16.6284 -16.6284 -5.6539 -5.6539 -5.2219 -5.2219 2.7249 2.7249 3.1691 3.1691 4.2163 4.2163 4.7724 4.7724 5.4042 5.4042 5.6190 5.6190 7.1598 7.1598 7.9796 7.9796 8.2352 8.2352 9.0868 9.0868 9.7609 9.7609 k = 0.6045 0.1621-0.6094 ( 5195 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5874 -31.5874 -30.8280 -30.8280 -30.6400 -30.6400 -16.8131 -16.8131 -16.6402 -16.6402 -16.6284 -16.6284 -5.6875 -5.6875 -5.2328 -5.2328 2.7845 2.7845 3.1977 3.1977 4.2112 4.2112 4.7699 4.7699 5.4333 5.4333 5.6448 5.6448 7.1726 7.1726 7.9860 7.9860 8.2405 8.2405 9.0474 9.0474 9.7545 9.7545 k = 0.6012 0.1612-0.5871 ( 5198 PWs) bands (ev): -57.1846 -57.1846 -44.7601 -44.7601 -31.5871 -31.5871 -30.8275 -30.8275 -30.6400 -30.6400 -16.8127 -16.8127 -16.6396 -16.6396 -16.6285 -16.6285 -5.7213 -5.7213 -5.2443 -5.2443 2.8431 2.8431 3.2247 3.2247 4.2141 4.2141 4.7668 4.7668 5.4609 5.4609 5.6710 5.6710 7.1868 7.1868 7.9918 7.9918 8.2463 8.2463 9.0108 9.0108 9.7485 9.7485 k = 0.5978 0.1603-0.5649 ( 5190 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5868 -31.5868 -30.8270 -30.8270 -30.6400 -30.6400 -16.8123 -16.8123 -16.6390 -16.6390 -16.6284 -16.6284 -5.7551 -5.7551 -5.2563 -5.2563 2.9002 2.9002 3.2490 3.2490 4.2268 4.2268 4.7633 4.7633 5.4867 5.4867 5.6976 5.6976 7.2026 7.2026 7.9966 7.9966 8.2527 8.2527 8.9773 8.9773 9.7430 9.7430 k = 0.5944 0.1594-0.5426 ( 5193 PWs) bands (ev): -57.1847 -57.1847 -44.7602 -44.7602 -31.5865 -31.5865 -30.8265 -30.8265 -30.6400 -30.6400 -16.8120 -16.8120 -16.6384 -16.6384 -16.6285 -16.6285 -5.7889 -5.7889 -5.2686 -5.2686 2.9556 2.9556 3.2691 3.2691 4.2505 4.2505 4.7592 4.7592 5.5100 5.5100 5.7247 5.7247 7.2197 7.2197 8.0004 8.0004 8.2599 8.2599 8.9471 8.9471 9.7381 9.7381 k = 0.5910 0.1585-0.5203 ( 5184 PWs) bands (ev): -57.1848 -57.1848 -44.7602 -44.7602 -31.5861 -31.5861 -30.8260 -30.8260 -30.6400 -30.6400 -16.8116 -16.8116 -16.6377 -16.6377 -16.6285 -16.6285 -5.8225 -5.8225 -5.2813 -5.2813 3.0091 3.0091 3.2843 3.2843 4.2862 4.2862 4.7548 4.7548 5.5302 5.5302 5.7527 5.7527 7.2381 7.2381 8.0029 8.0029 8.2681 8.2681 8.9205 8.9205 9.7342 9.7342 k = 0.5877 0.1576-0.4980 ( 5186 PWs) bands (ev): -57.1848 -57.1848 -44.7603 -44.7603 -31.5858 -31.5858 -30.8255 -30.8255 -30.6400 -30.6400 -16.8113 -16.8113 -16.6371 -16.6371 -16.6285 -16.6285 -5.8558 -5.8558 -5.2942 -5.2942 3.0603 3.0603 3.2944 3.2944 4.3344 4.3344 4.7500 4.7500 5.5464 5.5464 5.7820 5.7820 7.2576 7.2576 8.0038 8.0038 8.2772 8.2772 8.8978 8.8978 9.7312 9.7312 k = 0.5843 0.1567-0.4758 ( 5190 PWs) bands (ev): -57.1849 -57.1849 -44.7603 -44.7603 -31.5854 -31.5854 -30.8250 -30.8250 -30.6400 -30.6400 -16.8109 -16.8109 -16.6364 -16.6364 -16.6285 -16.6285 -5.8887 -5.8887 -5.3073 -5.3073 3.1084 3.1084 3.3005 3.3005 4.3944 4.3944 4.7449 4.7449 5.5579 5.5579 5.8132 5.8132 7.2779 7.2779 8.0030 8.0030 8.2875 8.2875 8.8794 8.8794 9.7294 9.7294 k = 0.5809 0.1558-0.4535 ( 5197 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5851 -31.5851 -30.8245 -30.8245 -30.6400 -30.6400 -16.8106 -16.8106 -16.6359 -16.6359 -16.6285 -16.6285 -5.9211 -5.9211 -5.3205 -5.3205 3.1514 3.1514 3.3055 3.3055 4.4653 4.4653 4.7398 4.7398 5.5641 5.5641 5.8466 5.8466 7.2985 7.2985 8.0002 8.0002 8.2985 8.2985 8.8659 8.8659 9.7288 9.7288 k = 0.5776 0.1549-0.4312 ( 5197 PWs) bands (ev): -57.1849 -57.1849 -44.7604 -44.7604 -31.5848 -31.5848 -30.8240 -30.8240 -30.6401 -30.6401 -16.8102 -16.8102 -16.6352 -16.6352 -16.6285 -16.6285 -5.9529 -5.9529 -5.3337 -5.3337 3.1841 3.1841 3.3154 3.3154 4.5454 4.5454 4.7351 4.7351 5.5649 5.5649 5.8824 5.8824 7.3193 7.3193 7.9952 7.9952 8.3099 8.3099 8.8580 8.8580 9.7296 9.7296 k = 0.5742 0.1540-0.4089 ( 5203 PWs) bands (ev): -57.1850 -57.1850 -44.7605 -44.7605 -31.5845 -31.5845 -30.8235 -30.8235 -30.6401 -30.6401 -16.8099 -16.8099 -16.6346 -16.6346 -16.6285 -16.6285 -5.9840 -5.9840 -5.3468 -5.3468 3.1999 3.1999 3.3380 3.3380 4.6313 4.6313 4.7328 4.7328 5.5602 5.5602 5.9206 5.9206 7.3399 7.3399 7.9879 7.9879 8.3209 8.3209 8.8565 8.8565 9.7320 9.7320 k = 0.5708 0.1531-0.3867 ( 5198 PWs) bands (ev): -57.1850 -57.1850 -44.7605 -44.7605 -31.5841 -31.5841 -30.8229 -30.8229 -30.6401 -30.6401 -16.8096 -16.8096 -16.6340 -16.6340 -16.6284 -16.6284 -6.0143 -6.0143 -5.3598 -5.3598 3.1992 3.1992 3.3742 3.3742 4.6985 4.6985 4.7561 4.7561 5.5504 5.5504 5.9612 5.9612 7.3598 7.3598 7.9782 7.9782 8.3308 8.3308 8.8623 8.8623 9.7359 9.7359 k = 0.5674 0.1522-0.3644 ( 5207 PWs) bands (ev): -57.1851 -57.1851 -44.7605 -44.7605 -31.5838 -31.5838 -30.8225 -30.8225 -30.6401 -30.6401 -16.8093 -16.8093 -16.6335 -16.6335 -16.6284 -16.6284 -6.0437 -6.0437 -5.3727 -5.3727 3.1882 3.1882 3.4186 3.4186 4.7062 4.7062 4.8443 4.8443 5.5358 5.5358 6.0039 6.0039 7.3788 7.3788 7.9658 7.9658 8.3383 8.3383 8.8762 8.8762 9.7414 9.7414 k = 0.5641 0.1513-0.3421 ( 5198 PWs) bands (ev): -57.1851 -57.1851 -44.7606 -44.7606 -31.5835 -31.5835 -30.8219 -30.8219 -30.6401 -30.6401 -16.8089 -16.8089 -16.6329 -16.6329 -16.6283 -16.6283 -6.0722 -6.0722 -5.3853 -5.3853 3.1719 3.1719 3.4672 3.4672 4.7022 4.7022 4.9483 4.9483 5.5173 5.5173 6.0485 6.0485 7.3967 7.3967 7.9508 7.9508 8.3428 8.3428 8.8990 8.8990 9.7485 9.7485 k = 0.5607 0.1504-0.3198 ( 5198 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5832 -31.5832 -30.8215 -30.8215 -30.6401 -30.6401 -16.8086 -16.8086 -16.6324 -16.6324 -16.6282 -16.6282 -6.0997 -6.0997 -5.3976 -5.3976 3.1528 3.1528 3.5182 3.5182 4.6966 4.6966 5.0561 5.0561 5.4960 5.4960 6.0950 6.0950 7.4132 7.4132 7.9331 7.9331 8.3434 8.3434 8.9308 8.9308 9.7572 9.7572 k = 0.5573 0.1495-0.2975 ( 5197 PWs) bands (ev): -57.1852 -57.1852 -44.7606 -44.7606 -31.5829 -31.5829 -30.8210 -30.8210 -30.6401 -30.6401 -16.8083 -16.8083 -16.6320 -16.6320 -16.6280 -16.6280 -6.1260 -6.1260 -5.4095 -5.4095 3.1321 3.1321 3.5707 3.5707 4.6906 4.6906 5.1631 5.1631 5.4749 5.4749 6.1431 6.1431 7.4283 7.4283 7.9126 7.9126 8.3399 8.3399 8.9714 8.9714 9.7674 9.7674 k = 0.5540 0.1486-0.2753 ( 5201 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5826 -31.5826 -30.8206 -30.8206 -30.6401 -30.6401 -16.8080 -16.8080 -16.6316 -16.6316 -16.6278 -16.6278 -6.1512 -6.1512 -5.4211 -5.4211 3.1108 3.1108 3.6244 3.6244 4.6844 4.6844 5.2589 5.2589 5.4637 5.4637 6.1926 6.1926 7.4418 7.4418 7.8894 7.8894 8.3323 8.3323 9.0202 9.0202 9.7791 9.7791 k = 0.5506 0.1477-0.2530 ( 5196 PWs) bands (ev): -57.1853 -57.1853 -44.7607 -44.7607 -31.5823 -31.5823 -30.8201 -30.8201 -30.6401 -30.6401 -16.8077 -16.8077 -16.6313 -16.6313 -16.6276 -16.6276 -6.1752 -6.1752 -5.4322 -5.4322 3.0894 3.0894 3.6791 3.6791 4.6783 4.6783 5.3116 5.3116 5.4938 5.4938 6.2434 6.2434 7.4537 7.4537 7.8636 7.8636 8.3208 8.3208 9.0762 9.0762 9.7920 9.7920 k = 0.5472 0.1467-0.2307 ( 5197 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5820 -31.5820 -30.8197 -30.8197 -30.6401 -30.6401 -16.8075 -16.8075 -16.6310 -16.6310 -16.6273 -16.6273 -6.1978 -6.1978 -5.4427 -5.4427 3.0683 3.0683 3.7346 3.7346 4.6723 4.6723 5.3057 5.3057 5.5802 5.5802 6.2955 6.2955 7.4639 7.4639 7.8352 7.8352 8.3057 8.3057 9.1384 9.1384 9.8059 9.8059 k = 0.5438 0.1458-0.2084 ( 5199 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5818 -31.5818 -30.8193 -30.8193 -30.6401 -30.6401 -16.8073 -16.8073 -16.6308 -16.6308 -16.6270 -16.6270 -6.2192 -6.2192 -5.4528 -5.4528 3.0478 3.0478 3.7908 3.7908 4.6665 4.6665 5.2749 5.2749 5.6887 5.6887 6.3486 6.3486 7.4724 7.4724 7.8046 7.8046 8.2875 8.2875 9.2055 9.2055 9.8208 9.8208 k = 0.5405 0.1449-0.1862 ( 5202 PWs) bands (ev): -57.1854 -57.1854 -44.7608 -44.7608 -31.5816 -31.5816 -30.8190 -30.8190 -30.6401 -30.6401 -16.8070 -16.8070 -16.6307 -16.6307 -16.6267 -16.6267 -6.2391 -6.2391 -5.4622 -5.4622 3.0282 3.0282 3.8478 3.8478 4.6608 4.6608 5.2352 5.2352 5.8030 5.8030 6.4027 6.4027 7.4790 7.4790 7.7718 7.7718 8.2664 8.2664 9.2765 9.2765 9.8364 9.8364 k = 0.5371 0.1440-0.1639 ( 5206 PWs) bands (ev): -57.1855 -57.1855 -44.7608 -44.7608 -31.5813 -31.5813 -30.8187 -30.8187 -30.6401 -30.6401 -16.8068 -16.8068 -16.6305 -16.6305 -16.6264 -16.6264 -6.2577 -6.2577 -5.4711 -5.4711 3.0096 3.0096 3.9053 3.9053 4.6554 4.6554 5.1907 5.1907 5.9182 5.9182 6.4578 6.4578 7.4837 7.4837 7.7371 7.7371 8.2427 8.2427 9.3501 9.3501 9.8525 9.8525 k = 0.5337 0.1431-0.1416 ( 5203 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5811 -31.5811 -30.8183 -30.8183 -30.6401 -30.6401 -16.8066 -16.8066 -16.6304 -16.6304 -16.6261 -16.6261 -6.2747 -6.2747 -5.4793 -5.4793 2.9922 2.9922 3.9633 3.9633 4.6503 4.6503 5.1433 5.1433 6.0319 6.0319 6.5138 6.5138 7.4862 7.4862 7.7007 7.7007 8.2169 8.2169 9.4251 9.4251 9.8688 9.8688 k = 0.5303 0.1422-0.1193 ( 5201 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5809 -31.5809 -30.8180 -30.8180 -30.6401 -30.6401 -16.8064 -16.8064 -16.6303 -16.6303 -16.6258 -16.6258 -6.2902 -6.2902 -5.4868 -5.4868 2.9762 2.9762 4.0218 4.0218 4.6455 4.6455 5.0936 5.0936 6.1425 6.1425 6.5707 6.5707 7.4862 7.4862 7.6632 7.6632 8.1894 8.1894 9.5001 9.5001 9.8852 9.8852 k = 0.5270 0.1413-0.0971 ( 5194 PWs) bands (ev): -57.1855 -57.1855 -44.7609 -44.7609 -31.5807 -31.5807 -30.8177 -30.8177 -30.6401 -30.6401 -16.8063 -16.8063 -16.6303 -16.6303 -16.6255 -16.6255 -6.3042 -6.3042 -5.4935 -5.4935 2.9616 2.9616 4.0806 4.0806 4.6409 4.6409 5.0422 5.0422 6.2486 6.2486 6.6286 6.6286 7.4835 7.4835 7.6248 7.6248 8.1607 8.1607 9.5737 9.5737 9.9017 9.9017 k = 0.5236 0.1404-0.0748 ( 5196 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5806 -31.5806 -30.8175 -30.8175 -30.6401 -30.6401 -16.8061 -16.8061 -16.6302 -16.6302 -16.6252 -16.6252 -6.3166 -6.3166 -5.4996 -5.4996 2.9485 2.9485 4.1397 4.1397 4.6366 4.6366 4.9896 4.9896 6.3483 6.3483 6.6876 6.6876 7.4777 7.4777 7.5861 7.5861 8.1316 8.1316 9.6441 9.6441 9.9182 9.9182 k = 0.5202 0.1395-0.0525 ( 5190 PWs) bands (ev): -57.1856 -57.1856 -44.7609 -44.7609 -31.5804 -31.5804 -30.8173 -30.8173 -30.6401 -30.6401 -16.8060 -16.8060 -16.6302 -16.6302 -16.6249 -16.6249 -6.3274 -6.3274 -5.5049 -5.5049 2.9371 2.9371 4.1988 4.1988 4.6324 4.6324 4.9361 4.9361 6.4399 6.4399 6.7476 6.7476 7.4684 7.4684 7.5477 7.5477 8.1029 8.1029 9.7093 9.7093 9.9349 9.9349 k = 0.5169 0.1386-0.0302 ( 5188 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5803 -31.5803 -30.8171 -30.8171 -30.6401 -30.6401 -16.8059 -16.8059 -16.6302 -16.6302 -16.6247 -16.6247 -6.3366 -6.3366 -5.5094 -5.5094 2.9273 2.9273 4.2578 4.2578 4.6280 4.6280 4.8825 4.8825 6.5214 6.5214 6.8083 6.8083 7.4556 7.4556 7.5104 7.5104 8.0757 8.0757 9.7668 9.7668 9.9523 9.9523 k = 0.5135 0.1377-0.0080 ( 5185 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5802 -31.5802 -30.8169 -30.8169 -30.6401 -30.6401 -16.8058 -16.8058 -16.6301 -16.6301 -16.6245 -16.6245 -6.3441 -6.3441 -5.5131 -5.5131 2.9193 2.9193 4.3164 4.3164 4.6229 4.6229 4.8296 4.8296 6.5909 6.5909 6.8685 6.8685 7.4399 7.4399 7.4750 7.4750 8.0512 8.0512 9.8141 9.8141 9.9707 9.9707 k = 0.5101 0.1368 0.0143 ( 5178 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8168 -30.8168 -30.6401 -30.6401 -16.8057 -16.8057 -16.6301 -16.6301 -16.6244 -16.6244 -6.3500 -6.3500 -5.5160 -5.5160 2.9130 2.9130 4.3742 4.3742 4.6158 4.6158 4.7793 4.7793 6.6470 6.6470 6.9254 6.9254 7.4226 7.4226 7.4423 7.4423 8.0305 8.0305 9.8494 9.8494 9.9898 9.9898 k = 0.5067 0.1359 0.0366 ( 5177 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6243 -16.6243 -6.3542 -6.3542 -5.5180 -5.5180 2.9084 2.9084 4.4303 4.4303 4.6036 4.6036 4.7357 4.7357 6.6882 6.6882 6.9747 6.9747 7.4066 7.4066 7.4142 7.4142 8.0149 8.0149 9.8725 9.8725 10.0074 10.0074 k = 0.5034 0.1350 0.0589 ( 5185 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3568 -6.3568 -5.5193 -5.5193 2.9057 2.9057 4.4823 4.4823 4.5815 4.5815 4.7059 4.7059 6.7136 6.7136 7.0094 7.0094 7.3933 7.3933 7.3955 7.3955 8.0052 8.0052 9.8852 9.8852 10.0199 10.0199 k = 0.5000 0.1341 0.0811 ( 5194 PWs) bands (ev): -57.1856 -57.1856 -44.7610 -44.7610 -31.5801 -31.5801 -30.8167 -30.8167 -30.6401 -30.6401 -16.8056 -16.8056 -16.6301 -16.6301 -16.6242 -16.6242 -6.3576 -6.3576 -5.5197 -5.5197 2.9048 2.9048 4.5144 4.5144 4.5595 4.5595 4.6958 4.6958 6.7222 6.7222 7.0222 7.0222 7.3856 7.3856 7.3912 7.3912 8.0019 8.0019 9.8892 9.8892 10.0245 10.0245 k = 0.5000-0.8652-0.5235 ( 5206 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2336 -5.2336 -5.1927 -5.1927 2.2102 2.2102 3.0443 3.0443 4.1809 4.1809 4.6776 4.6776 4.7284 4.7284 5.4375 5.4375 7.2431 7.2431 7.8867 7.8867 8.1730 8.1730 9.4882 9.4882 9.7391 9.7391 k = 0.5198-0.8568-0.5184 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2337 -5.2337 -5.1926 -5.1926 2.2092 2.2092 3.0435 3.0435 4.1831 4.1831 4.6790 4.6790 4.7287 4.7287 5.4373 5.4373 7.2424 7.2424 7.8867 7.8867 8.1729 8.1729 9.4891 9.4891 9.7397 9.7397 k = 0.5396-0.8484-0.5133 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2340 -5.2340 -5.1924 -5.1924 2.2063 2.2063 3.0410 3.0410 4.1896 4.1896 4.6831 4.6831 4.7294 4.7294 5.4366 5.4366 7.2404 7.2404 7.8867 7.8867 8.1730 8.1730 9.4920 9.4920 9.7413 9.7413 k = 0.5594-0.8400-0.5083 ( 5214 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2344 -5.2344 -5.1920 -5.1920 2.2016 2.2016 3.0370 3.0370 4.2001 4.2001 4.6898 4.6898 4.7306 4.7306 5.4355 5.4355 7.2370 7.2370 7.8868 7.8868 8.1729 8.1729 9.4969 9.4969 9.7440 9.7440 k = 0.5792-0.8316-0.5032 ( 5215 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6282 -16.6282 -5.2351 -5.2351 -5.1915 -5.1915 2.1952 2.1952 3.0315 3.0315 4.2145 4.2145 4.6989 4.6989 4.7325 4.7325 5.4341 5.4341 7.2323 7.2323 7.8870 7.8870 8.1729 8.1729 9.5038 9.5038 9.7477 9.7477 k = 0.5990-0.8233-0.4981 ( 5213 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2359 -5.2359 -5.1909 -5.1909 2.1873 2.1873 3.0248 3.0248 4.2323 4.2323 4.7101 4.7101 4.7351 4.7351 5.4322 5.4322 7.2264 7.2264 7.8872 7.8872 8.1729 8.1729 9.5126 9.5126 9.7525 9.7525 k = 0.6189-0.8149-0.4930 ( 5211 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2368 -5.2368 -5.1902 -5.1902 2.1782 2.1782 3.0169 3.0169 4.2532 4.2532 4.7223 4.7223 4.7392 4.7392 5.4300 5.4300 7.2193 7.2193 7.8874 7.8874 8.1729 8.1729 9.5234 9.5234 9.7581 9.7581 k = 0.6387-0.8065-0.4880 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2380 -5.2380 -5.1893 -5.1893 2.1680 2.1680 3.0082 3.0082 4.2766 4.2766 4.7325 4.7325 4.7478 4.7478 5.4276 5.4276 7.2111 7.2111 7.8876 7.8876 8.1729 8.1729 9.5363 9.5363 9.7646 9.7646 k = 0.6585-0.7981-0.4829 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2393 -5.2393 -5.1884 -5.1884 2.1570 2.1570 2.9988 2.9988 4.3019 4.3019 4.7384 4.7384 4.7626 4.7626 5.4250 5.4250 7.2019 7.2019 7.8879 7.8879 8.1728 8.1728 9.5512 9.5512 9.7718 9.7718 k = 0.6783-0.7897-0.4778 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8330 -30.8330 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2407 -5.2407 -5.1874 -5.1874 2.1455 2.1455 2.9889 2.9889 4.3286 4.3286 4.7427 4.7427 4.7807 4.7807 5.4222 5.4222 7.1919 7.1919 7.8881 7.8881 8.1728 8.1728 9.5681 9.5681 9.7796 9.7796 k = 0.6981-0.7814-0.4728 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8168 -16.8168 -16.6463 -16.6463 -16.6281 -16.6281 -5.2423 -5.2423 -5.1863 -5.1863 2.1338 2.1338 2.9787 2.9787 4.3562 4.3562 4.7469 4.7469 4.8004 4.8004 5.4194 5.4194 7.1811 7.1811 7.8884 7.8884 8.1727 8.1727 9.5870 9.5870 9.7879 9.7879 k = 0.7179-0.7730-0.4677 ( 5198 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6463 -16.6463 -16.6281 -16.6281 -5.2440 -5.2440 -5.1852 -5.1852 2.1222 2.1222 2.9685 2.9685 4.3840 4.3840 4.7511 4.7511 4.8210 4.8210 5.4167 5.4167 7.1699 7.1699 7.8888 7.8888 8.1727 8.1727 9.6080 9.6080 9.7966 9.7966 k = 0.7377-0.7646-0.4626 ( 5198 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2458 -5.2458 -5.1839 -5.1839 2.1109 2.1109 2.9584 2.9584 4.4115 4.4115 4.7555 4.7555 4.8419 4.8419 5.4140 5.4140 7.1583 7.1583 7.8891 7.8891 8.1726 8.1726 9.6308 9.6308 9.8056 9.8056 k = 0.7575-0.7562-0.4576 ( 5200 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2478 -5.2478 -5.1826 -5.1826 2.1001 2.1001 2.9486 2.9486 4.4381 4.4381 4.7599 4.7599 4.8628 4.8628 5.4115 5.4115 7.1466 7.1466 7.8894 7.8894 8.1726 8.1726 9.6554 9.6554 9.8147 9.8147 k = 0.7773-0.7478-0.4525 ( 5202 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2500 -5.2500 -5.1813 -5.1813 2.0900 2.0900 2.9393 2.9393 4.4634 4.4634 4.7645 4.7645 4.8832 4.8832 5.4092 5.4092 7.1351 7.1351 7.8897 7.8897 8.1726 8.1726 9.6816 9.6816 9.8240 9.8240 k = 0.7971-0.7395-0.4474 ( 5208 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2523 -5.2523 -5.1799 -5.1799 2.0809 2.0809 2.9305 2.9305 4.4868 4.4868 4.7690 4.7690 4.9027 4.9027 5.4072 5.4072 7.1241 7.1241 7.8900 7.8900 8.1725 8.1725 9.7091 9.7091 9.8335 9.8335 k = 0.8170-0.7311-0.4423 ( 5204 PWs) bands (ev): -57.1841 -57.1841 -44.7597 -44.7597 -31.5907 -31.5907 -30.8329 -30.8329 -30.6399 -30.6399 -16.8167 -16.8167 -16.6462 -16.6462 -16.6281 -16.6281 -5.2548 -5.2548 -5.1784 -5.1784 2.0729 2.0729 2.9225 2.9225 4.5080 4.5080 4.7734 4.7734 4.9210 4.9210 5.4055 5.4055 7.1139 7.1139 7.8904 7.8904 8.1725 8.1725 9.7372 9.7372 9.8433 9.8433 Writing output data file NaVSe2.save init_run : 0.62s CPU 0.86s WALL ( 1 calls) electrons : 176.38s CPU 178.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 176.37s CPU 178.13s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.04s WALL ( 1 calls) newd : 0.07s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 323 calls) cegterg : 157.94s CPU 159.23s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 140.30s CPU 141.50s WALL ( 4554 calls) s_psi : 1.56s CPU 1.61s WALL ( 4554 calls) g_psi : 0.16s CPU 0.19s WALL ( 3908 calls) cdiaghg : 21.65s CPU 21.91s WALL ( 4231 calls) cegterg:over : 4.05s CPU 3.95s WALL ( 3908 calls) cegterg:upda : 3.58s CPU 3.58s WALL ( 3908 calls) cegterg:last : 1.90s CPU 1.93s WALL ( 969 calls) cdiaghg:chol : 1.25s CPU 1.32s WALL ( 4231 calls) cdiaghg:inve : 0.65s CPU 0.68s WALL ( 4231 calls) cdiaghg:para : 1.31s CPU 1.27s WALL ( 8462 calls) Called by h_psi: h_psi:vloc : 135.30s CPU 136.44s WALL ( 4554 calls) h_psi:vnl : 4.83s CPU 4.86s WALL ( 4554 calls) add_vuspsi : 2.06s CPU 2.10s WALL ( 4554 calls) General routines calbec : 2.76s CPU 2.74s WALL ( 4554 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 113.90s CPU 115.01s WALL ( 518128 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.20s CPU 0.20s WALL ( 646 calls) Parallel routines fft_scatter : 29.25s CPU 29.27s WALL ( 518151 calls) PWSCF : 3m12.04s CPU 3m41.61s WALL This run was terminated on: 21: 8: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=