<div dir="ltr">hi every one<div> in my one of lithium adsorbed graphene system , i calculated pdos . output file creates 1s orbital and 2p orbital file .i dont understand why lithium atom generates p orbital pdos file.below i attach outputs of this.please explain one ...thanks in advance.</div><div><br></div><div><div>&projwfc</div><div>outdir = '/home/kathirvel/espresso/tmp/'</div><div>prefix = '100lidscf' ,</div><div>ngauss=1,</div><div>degauss=0.02,</div><div>io_choice='both'</div><div>Emin=-25.0, Emax=25.0, DeltaE=0.05</div><div>/</div></div><div><br></div><div><br></div><div>output</div><div><b><font color="#ff0000">100lidscf.pdos_atm#109(Li)_wfc#1(s)<br></font></b></div><div><br></div><div><div># E (eV) ldos(E) pdos(E) </div><div>-19.331 -0.392E-06 -0.392E-06</div><div>-19.281 -0.102E-05 -0.102E-05</div><div>-19.231 -0.244E-05 -0.244E-05</div><div>-19.181 -0.543E-05 -0.543E-05</div><div>-19.131 -0.111E-04 -0.111E-04</div><div>-19.081 -0.209E-04 -0.209E-04</div><div>-19.031 -0.359E-04 -0.359E-04</div><div>-18.981 -0.557E-04 -0.557E-04</div><div>-18.931 -0.766E-04 -0.766E-04</div><div>-18.881 -0.901E-04 -0.901E-04</div><div>-18.831 -0.812E-04 -0.812E-04</div><div>-18.781 -0.300E-04 -0.300E-04</div><div>-18.731 0.847E-04 0.847E-04</div><div>-18.681 0.280E-03 0.280E-03</div><div>-18.631 0.562E-03 0.562E-03</div><div>-18.581 0.924E-03 0.924E-03</div><div>-18.531 0.134E-02 0.134E-02</div><div>-18.481 0.178E-02 0.178E-02</div><div>-18.431 0.219E-02 0.219E-02</div><div>-18.381 0.254E-02 0.254E-02</div><div>-18.331 0.277E-02 0.277E-02</div><div>-18.281 0.288E-02 0.288E-02</div><div>-18.231 0.284E-02 0.284E-02</div><div>-18.181 0.268E-02 0.268E-02</div><div>-18.131 0.242E-02 0.242E-02</div><div>-18.081 0.213E-02 0.213E-02</div><div>-18.031 0.185E-02 0.185E-02</div><div>-17.981 0.164E-02 0.164E-02</div><div>-17.931 0.155E-02 0.155E-02</div><div>-17.881 0.164E-02 0.164E-02</div><div>-17.831 0.194E-02 0.194E-02</div><div>-17.781 0.250E-02 0.250E-02</div><div>-17.731 0.330E-02 0.330E-02</div><div>-17.681 0.432E-02 0.432E-02</div><div>-17.631 0.548E-02 0.548E-02</div><div>-17.581 0.670E-02 0.670E-02</div><div>-17.531 0.787E-02 0.787E-02</div><div>-17.481 0.891E-02 0.891E-02</div><div>-17.431 0.969E-02 0.969E-02</div><div>-17.381 0.102E-01 0.102E-01</div><div>-17.331 0.103E-01 0.103E-01</div><div>-17.281 0.102E-01 0.102E-01</div><div>-17.231 0.983E-02 0.983E-02</div><div>-17.181 0.930E-02 0.930E-02</div><div>-17.131 0.866E-02 0.866E-02</div><div>-17.081 0.795E-02 0.795E-02</div><div>-17.031 0.722E-02 0.722E-02</div><div>-16.981 0.647E-02 0.647E-02</div><div>-16.931 0.573E-02 0.573E-02</div><div>-16.881 0.501E-02 0.501E-02</div><div>-16.831 0.433E-02 0.433E-02</div><div>-16.781 0.372E-02 0.372E-02</div><div>-16.731 0.324E-02 0.324E-02</div><div>-16.681 0.297E-02 0.297E-02</div><div>-16.631 0.299E-02 0.299E-02</div><div>-16.581 0.340E-02 0.340E-02</div><div>-16.531 0.429E-02 0.429E-02</div><div>-16.481 0.572E-02 0.572E-02</div><div>-16.431 0.769E-02 0.769E-02</div><div>-16.381 0.101E-01 0.101E-01</div><div>-16.331 0.128E-01 0.128E-01</div><div>-16.281 0.156E-01 0.156E-01</div><div>-16.231 0.179E-01 0.179E-01</div><div>-16.181 0.196E-01 0.196E-01</div><div>-16.131 0.203E-01 0.203E-01</div><div>-16.081 0.199E-01 0.199E-01</div><div>-16.031 0.184E-01 0.184E-01</div><div>-15.981 0.160E-01 0.160E-01</div><div>-15.931 0.130E-01 0.130E-01</div><div>-15.881 0.101E-01 0.101E-01</div><div>-15.831 0.739E-02 0.739E-02</div><div>-15.781 0.538E-02 0.538E-02</div><div>-15.731 0.418E-02 0.418E-02</div><div>-15.681 0.376E-02 0.376E-02</div><div>-15.631 0.394E-02 0.394E-02</div><div>-15.581 0.442E-02 0.442E-02</div><div>-15.531 0.492E-02 0.492E-02</div><div>-15.481 0.519E-02 0.519E-02</div><div>-15.431 0.511E-02 0.511E-02</div><div>-15.381 0.466E-02 0.466E-02</div><div>-15.331 0.392E-02 0.392E-02</div><div>-15.281 0.302E-02 0.302E-02</div><div>-15.231 0.211E-02 0.211E-02</div><div>-15.181 0.131E-02 0.131E-02</div><div>-15.131 0.724E-03 0.724E-03</div><div>-15.081 0.366E-03 0.366E-03</div><div>-15.031 0.222E-03 0.222E-03</div><div>-14.981 0.249E-03 0.249E-03</div><div>-14.931 0.401E-03 0.401E-03</div><div>-14.881 0.643E-03 0.643E-03</div><div>-14.831 0.948E-03 0.948E-03</div><div>-14.781 0.129E-02 0.129E-02</div><div>-14.731 0.165E-02 0.165E-02</div><div>-14.681 0.197E-02 0.197E-02</div><div>-14.631 0.221E-02 0.221E-02</div><div>-14.581 0.234E-02 0.234E-02</div><div>-14.531 0.232E-02 0.232E-02</div><div>-14.481 0.218E-02 0.218E-02</div><div>-14.431 0.193E-02 0.193E-02</div><div>-14.381 0.164E-02 0.164E-02</div><div>-14.331 0.138E-02 0.138E-02</div><div>-14.281 0.118E-02 0.118E-02</div><div>-14.231 0.106E-02 0.106E-02</div><div>-14.181 0.100E-02 0.100E-02</div><div>-14.131 0.981E-03 0.981E-03</div><div>-14.081 0.950E-03 0.950E-03</div><div>-14.031 0.890E-03 0.890E-03</div><div>-13.981 0.803E-03 0.803E-03</div><div>-13.931 0.711E-03 0.711E-03</div><div>-13.881 0.644E-03 0.644E-03</div><div>-13.831 0.627E-03 0.627E-03</div><div>-13.781 0.671E-03 0.671E-03</div><div>-13.731 0.764E-03 0.764E-03</div><div>-13.681 0.883E-03 0.883E-03</div><div>-13.631 0.998E-03 0.998E-03</div><div>-13.581 0.108E-02 0.108E-02</div><div>-13.531 0.112E-02 0.112E-02</div><div>-13.481 0.112E-02 0.112E-02</div><div>-13.431 0.108E-02 0.108E-02</div><div>-13.381 0.102E-02 0.102E-02</div><div>-13.331 0.951E-03 0.951E-03</div><div>-13.281 0.879E-03 0.879E-03</div><div>-13.231 0.808E-03 0.808E-03</div><div>-13.181 0.737E-03 0.737E-03</div><div>-13.131 0.669E-03 0.669E-03</div><div>-13.081 0.611E-03 0.611E-03</div><div>-13.031 0.572E-03 0.572E-03</div><div>-12.981 0.560E-03 0.560E-03</div><div>-12.931 0.579E-03 0.579E-03</div><div>-12.881 0.629E-03 0.629E-03</div><div>-12.831 0.699E-03 0.699E-03</div><div>-12.781 0.776E-03 0.776E-03</div><div>-12.731 0.841E-03 0.841E-03</div><div>-12.681 0.877E-03 0.877E-03</div><div>-12.631 0.873E-03 0.873E-03</div><div>-12.581 0.825E-03 0.825E-03</div><div>-12.531 0.740E-03 0.740E-03</div><div>-12.481 0.631E-03 0.631E-03</div><div>-12.431 0.516E-03 0.516E-03</div><div>-12.381 0.411E-03 0.411E-03</div><div>-12.331 0.324E-03 0.324E-03</div><div>-12.281 0.260E-03 0.260E-03</div><div>-12.231 0.216E-03 0.216E-03</div><div>-12.181 0.186E-03 0.186E-03</div><div>-12.131 0.167E-03 0.167E-03</div><div>-12.081 0.156E-03 0.156E-03</div><div>-12.031 0.154E-03 0.154E-03</div><div>-11.981 0.159E-03 0.159E-03</div><div>-11.931 0.169E-03 0.169E-03</div><div>-11.881 0.182E-03 0.182E-03</div><div>-11.831 0.192E-03 0.192E-03</div><div>-11.781 0.196E-03 0.196E-03</div><div>-11.731 0.195E-03 0.195E-03</div><div>-11.681 0.192E-03 0.192E-03</div><div>-11.631 0.191E-03 0.191E-03</div><div>-11.581 0.197E-03 0.197E-03</div><div>-11.531 0.211E-03 0.211E-03</div><div>-11.481 0.230E-03 0.230E-03</div><div>-11.431 0.249E-03 0.249E-03</div><div>-11.381 0.261E-03 0.261E-03</div><div>-11.331 0.260E-03 0.260E-03</div><div>-11.281 0.245E-03 0.245E-03</div><div>-11.231 0.217E-03 0.217E-03</div><div>-11.181 0.181E-03 0.181E-03</div><div>-11.131 0.144E-03 0.144E-03</div><div>-11.081 0.113E-03 0.113E-03</div><div>-11.031 0.909E-04 0.909E-04</div><div>-10.981 0.812E-04 0.812E-04</div><div>-10.931 0.849E-04 0.849E-04</div><div>-10.881 0.102E-03 0.102E-03</div><div>-10.831 0.132E-03 0.132E-03</div><div>-10.781 0.173E-03 0.173E-03</div><div>-10.731 0.223E-03 0.223E-03</div><div>-10.681 0.274E-03 0.274E-03</div><div>-10.631 0.321E-03 0.321E-03</div><div>-10.581 0.358E-03 0.358E-03</div><div>-10.531 0.381E-03 0.381E-03</div><div>-10.481 0.391E-03 0.391E-03</div><div>-10.431 0.394E-03 0.394E-03</div><div>-10.381 0.398E-03 0.398E-03</div><div>-10.331 0.410E-03 0.410E-03</div><div>-10.281 0.431E-03 0.431E-03</div><div>-10.231 0.457E-03 0.457E-03</div><div>-10.181 0.481E-03 0.481E-03</div><div>-10.131 0.496E-03 0.496E-03</div><div>-10.081 0.500E-03 0.500E-03</div><div>-10.031 0.492E-03 0.492E-03</div><div> -9.981 0.478E-03 0.478E-03</div><div> -9.931 0.461E-03 0.461E-03</div><div> -9.881 0.442E-03 0.442E-03</div><div> -9.831 0.418E-03 0.418E-03</div><div> -9.781 0.387E-03 0.387E-03</div><div> -9.731 0.350E-03 0.350E-03</div><div> -9.681 0.309E-03 0.309E-03</div><div> -9.631 0.269E-03 0.269E-03</div><div> -9.581 0.237E-03 0.237E-03</div><div> -9.531 0.213E-03 0.213E-03</div><div> -9.481 0.199E-03 0.199E-03</div><div> -9.431 0.191E-03 0.191E-03</div><div> -9.381 0.185E-03 0.185E-03</div><div> -9.331 0.179E-03 0.179E-03</div><div> -9.281 0.174E-03 0.174E-03</div><div> -9.231 0.169E-03 0.169E-03</div><div> -9.181 0.166E-03 0.166E-03</div><div> -9.131 0.167E-03 0.167E-03</div><div> -9.081 0.170E-03 0.170E-03</div><div> -9.031 0.174E-03 0.174E-03</div><div> -8.981 0.176E-03 0.176E-03</div><div> -8.931 0.175E-03 0.175E-03</div><div> -8.881 0.170E-03 0.170E-03</div><div> -8.831 0.162E-03 0.162E-03</div><div> -8.781 0.152E-03 0.152E-03</div><div> -8.731 0.144E-03 0.144E-03</div><div> -8.681 0.141E-03 0.141E-03</div><div> -8.631 0.144E-03 0.144E-03</div><div> -8.581 0.151E-03 0.151E-03</div><div> -8.531 0.159E-03 0.159E-03</div><div> -8.481 0.164E-03 0.164E-03</div><div> -8.431 0.161E-03 0.161E-03</div><div> -8.381 0.149E-03 0.149E-03</div><div> -8.331 0.131E-03 0.131E-03</div><div> -8.281 0.114E-03 0.114E-03</div><div> -8.231 0.106E-03 0.106E-03</div><div> -8.181 0.116E-03 0.116E-03</div><div> -8.131 0.153E-03 0.153E-03</div><div> -8.081 0.221E-03 0.221E-03</div><div> -8.031 0.316E-03 0.316E-03</div><div> -7.981 0.432E-03 0.432E-03</div><div> -7.931 0.556E-03 0.556E-03</div><div> -7.881 0.670E-03 0.670E-03</div><div> -7.831 0.764E-03 0.764E-03</div><div> -7.781 0.830E-03 0.830E-03</div><div> -7.731 0.870E-03 0.870E-03</div><div> -7.681 0.893E-03 0.893E-03</div><div> -7.631 0.912E-03 0.912E-03</div><div> -7.581 0.934E-03 0.934E-03</div><div> -7.531 0.959E-03 0.959E-03</div><div> -7.481 0.979E-03 0.979E-03</div><div> -7.431 0.982E-03 0.982E-03</div><div> -7.381 0.959E-03 0.959E-03</div><div> -7.331 0.910E-03 0.910E-03</div><div> -7.281 0.842E-03 0.842E-03</div><div> -7.231 0.769E-03 0.769E-03</div><div> -7.181 0.705E-03 0.705E-03</div><div> -7.131 0.661E-03 0.661E-03</div><div> -7.081 0.639E-03 0.639E-03</div><div> -7.031 0.641E-03 0.641E-03</div><div> -6.981 0.669E-03 0.669E-03</div><div> -6.931 0.731E-03 0.731E-03</div><div> -6.881 0.841E-03 0.841E-03</div><div> -6.831 0.102E-02 0.102E-02</div><div> -6.781 0.126E-02 0.126E-02</div><div> -6.731 0.157E-02 0.157E-02</div><div> -6.681 0.191E-02 0.191E-02</div><div> -6.631 0.222E-02 0.222E-02</div><div> -6.581 0.245E-02 0.245E-02</div><div> -6.531 0.257E-02 0.257E-02</div><div> -6.481 0.258E-02 0.258E-02</div><div> -6.431 0.248E-02 0.248E-02</div><div> -6.381 0.231E-02 0.231E-02</div><div> -6.331 0.212E-02 0.212E-02</div><div> -6.281 0.194E-02 0.194E-02</div><div> -6.231 0.180E-02 0.180E-02</div><div> -6.181 0.171E-02 0.171E-02</div><div> -6.131 0.166E-02 0.166E-02</div><div> -6.081 0.167E-02 0.167E-02</div><div> -6.031 0.171E-02 0.171E-02</div><div> -5.981 0.178E-02 0.178E-02</div><div> -5.931 0.188E-02 0.188E-02</div><div> -5.881 0.202E-02 0.202E-02</div><div> -5.831 0.221E-02 0.221E-02</div><div> -5.781 0.244E-02 0.244E-02</div><div> -5.731 0.266E-02 0.266E-02</div><div> -5.681 0.283E-02 0.283E-02</div><div> -5.631 0.291E-02 0.291E-02</div><div> -5.581 0.287E-02 0.287E-02</div><div> -5.531 0.275E-02 0.275E-02</div><div> -5.481 0.260E-02 0.260E-02</div><div> -5.431 0.250E-02 0.250E-02</div><div> -5.381 0.247E-02 0.247E-02</div><div> -5.331 0.249E-02 0.249E-02</div><div> -5.281 0.249E-02 0.249E-02</div><div> -5.231 0.240E-02 0.240E-02</div><div> -5.181 0.216E-02 0.216E-02</div><div> -5.131 0.181E-02 0.181E-02</div><div> -5.081 0.150E-02 0.150E-02</div><div> -5.031 0.145E-02 0.145E-02</div><div> -4.981 0.190E-02 0.190E-02</div><div> -4.931 0.303E-02 0.303E-02</div><div> -4.881 0.491E-02 0.491E-02</div><div> -4.831 0.739E-02 0.739E-02</div><div> -4.781 0.102E-01 0.102E-01</div><div> -4.731 0.128E-01 0.128E-01</div><div> -4.681 0.147E-01 0.147E-01</div><div> -4.631 0.156E-01 0.156E-01</div><div> -4.581 0.154E-01 0.154E-01</div><div> -4.531 0.140E-01 0.140E-01</div><div> -4.481 0.118E-01 0.118E-01</div><div> -4.431 0.940E-02 0.940E-02</div><div> -4.381 0.745E-02 0.745E-02</div><div> -4.331 0.651E-02 0.651E-02</div><div> -4.281 0.693E-02 0.693E-02</div><div> -4.231 0.875E-02 0.875E-02</div><div> -4.181 0.116E-01 0.116E-01</div><div> -4.131 0.150E-01 0.150E-01</div><div> -4.081 0.181E-01 0.181E-01</div><div> -4.031 0.203E-01 0.203E-01</div><div> -3.981 0.211E-01 0.211E-01</div><div> -3.931 0.203E-01 0.203E-01</div><div> -3.881 0.184E-01 0.184E-01</div><div> -3.831 0.157E-01 0.157E-01</div><div> -3.781 0.128E-01 0.128E-01</div><div> -3.731 0.104E-01 0.104E-01</div><div> -3.681 0.882E-02 0.882E-02</div><div> -3.631 0.810E-02 0.810E-02</div><div> -3.581 0.812E-02 0.812E-02</div><div> -3.531 0.858E-02 0.858E-02</div><div> -3.481 0.914E-02 0.914E-02</div><div> -3.431 0.955E-02 0.955E-02</div><div> -3.381 0.971E-02 0.971E-02</div><div> -3.331 0.964E-02 0.964E-02</div><div> -3.281 0.945E-02 0.945E-02</div><div> -3.231 0.923E-02 0.923E-02</div><div> -3.181 0.903E-02 0.903E-02</div><div> -3.131 0.885E-02 0.885E-02</div><div> -3.081 0.869E-02 0.869E-02</div><div> -3.031 0.857E-02 0.857E-02</div><div> -2.981 0.853E-02 0.853E-02</div><div> -2.931 0.869E-02 0.869E-02</div><div> -2.881 0.911E-02 0.911E-02</div><div> -2.831 0.980E-02 0.980E-02</div><div> -2.781 0.106E-01 0.106E-01</div><div> -2.731 0.114E-01 0.114E-01</div><div> -2.681 0.118E-01 0.118E-01</div><div> -2.631 0.118E-01 0.118E-01</div><div> -2.581 0.112E-01 0.112E-01</div><div> -2.531 0.102E-01 0.102E-01</div><div> -2.481 0.906E-02 0.906E-02</div><div> -2.431 0.792E-02 0.792E-02</div><div> -2.381 0.698E-02 0.698E-02</div><div> -2.331 0.629E-02 0.629E-02</div><div> -2.281 0.582E-02 0.582E-02</div><div> -2.231 0.550E-02 0.550E-02</div><div> -2.181 0.528E-02 0.528E-02</div><div> -2.131 0.517E-02 0.517E-02</div><div> -2.081 0.523E-02 0.523E-02</div><div> -2.031 0.553E-02 0.553E-02</div><div> -1.981 0.616E-02 0.616E-02</div><div> -1.931 0.716E-02 0.716E-02</div><div> -1.881 0.850E-02 0.850E-02</div><div> -1.831 0.101E-01 0.101E-01</div><div> -1.781 0.119E-01 0.119E-01</div><div> -1.731 0.137E-01 0.137E-01</div><div> -1.681 0.154E-01 0.154E-01</div><div> -1.631 0.169E-01 0.169E-01</div><div> -1.581 0.181E-01 0.181E-01</div><div> -1.531 0.188E-01 0.188E-01</div><div> -1.481 0.189E-01 0.189E-01</div><div> -1.431 0.184E-01 0.184E-01</div><div> -1.381 0.174E-01 0.174E-01</div><div> -1.331 0.160E-01 0.160E-01</div><div> -1.281 0.145E-01 0.145E-01</div><div> -1.231 0.132E-01 0.132E-01</div><div> -1.181 0.122E-01 0.122E-01</div><div> -1.131 0.116E-01 0.116E-01</div><div> -1.081 0.116E-01 0.116E-01</div><div> -1.031 0.119E-01 0.119E-01</div><div> -0.981 0.125E-01 0.125E-01</div><div> -0.931 0.133E-01 0.133E-01</div><div> -0.881 0.141E-01 0.141E-01</div><div> -0.831 0.144E-01 0.144E-01</div><div> -0.781 0.141E-01 0.141E-01</div><div> -0.731 0.131E-01 0.131E-01</div><div> -0.681 0.114E-01 0.114E-01</div><div> -0.631 0.927E-02 0.927E-02</div><div> -0.581 0.710E-02 0.710E-02</div><div> -0.531 0.529E-02 0.529E-02</div><div> -0.481 0.412E-02 0.412E-02</div><div> -0.431 0.369E-02 0.369E-02</div><div> -0.381 0.387E-02 0.387E-02</div><div> -0.331 0.444E-02 0.444E-02</div><div> -0.281 0.514E-02 0.514E-02</div><div> -0.231 0.577E-02 0.577E-02</div><div> -0.181 0.626E-02 0.626E-02</div><div> -0.131 0.666E-02 0.666E-02</div><div> -0.081 0.706E-02 0.706E-02</div><div> -0.031 0.754E-02 0.754E-02</div><div> 0.019 0.813E-02 0.813E-02</div><div> 0.069 0.880E-02 0.880E-02</div><div> 0.119 0.952E-02 0.952E-02</div><div> 0.169 0.103E-01 0.103E-01</div><div> 0.219 0.110E-01 0.110E-01</div><div> 0.269 0.116E-01 0.116E-01</div><div> 0.319 0.121E-01 0.121E-01</div><div> 0.369 0.123E-01 0.123E-01</div><div> 0.419 0.120E-01 0.120E-01</div><div> 0.469 0.113E-01 0.113E-01</div><div> 0.519 0.992E-02 0.992E-02</div><div> 0.569 0.817E-02 0.817E-02</div><div> 0.619 0.622E-02 0.622E-02</div><div> 0.669 0.430E-02 0.430E-02</div><div> 0.719 0.263E-02 0.263E-02</div><div> 0.769 0.133E-02 0.133E-02</div><div> 0.819 0.456E-03 0.456E-03</div><div> 0.869 -0.447E-04 -0.447E-04</div><div> 0.919 -0.256E-03 -0.256E-03</div><div> 0.969 -0.277E-03 -0.277E-03</div><div> 1.019 -0.199E-03 -0.199E-03</div><div> 1.069 -0.868E-04 -0.868E-04</div><div> 1.119 0.207E-04 0.207E-04</div><div> 1.169 0.105E-03 0.105E-03</div><div> 1.219 0.167E-03 0.167E-03</div><div> 1.269 0.215E-03 0.215E-03</div><div> 1.319 0.265E-03 0.265E-03</div><div> 1.369 0.329E-03 0.329E-03</div><div> 1.419 0.411E-03 0.411E-03</div><div> 1.469 0.503E-03 0.503E-03</div><div> 1.519 0.587E-03 0.587E-03</div><div> 1.569 0.642E-03 0.642E-03</div><div> 1.619 0.655E-03 0.655E-03</div><div> 1.669 0.622E-03 0.622E-03</div><div> 1.719 0.553E-03 0.553E-03</div><div> 1.769 0.467E-03 0.467E-03</div><div> 1.819 0.387E-03 0.387E-03</div><div> 1.869 0.328E-03 0.328E-03</div><div> 1.919 0.297E-03 0.297E-03</div><div> 1.969 0.296E-03 0.296E-03</div><div> 2.019 0.320E-03 0.320E-03</div><div> 2.069 0.367E-03 0.367E-03</div><div> 2.119 0.441E-03 0.441E-03</div><div> 2.169 0.543E-03 0.543E-03</div><div> 2.219 0.671E-03 0.671E-03</div><div> 2.269 0.796E-03 0.796E-03</div><div> 2.319 0.847E-03 0.847E-03</div><div> 2.369 0.656E-03 0.656E-03</div><div> 2.419 -0.131E-03 -0.131E-03</div><div> 2.469 -0.224E-02 -0.224E-02</div><div> 2.519 -0.700E-02 -0.700E-02</div><div> 2.569 -0.167E-01 -0.167E-01</div><div> 2.619 -0.344E-01 -0.344E-01</div><div> 2.669 -0.634E-01 -0.634E-01</div><div> 2.719 -0.105E+00 -0.105E+00</div><div> 2.769 -0.153E+00 -0.153E+00</div><div> 2.819 -0.190E+00 -0.190E+00</div><div> 2.869 -0.182E+00 -0.182E+00</div><div> 2.919 -0.753E-01 -0.753E-01</div><div> 2.969 0.188E+00 0.188E+00</div><div> 3.019 0.655E+00 0.655E+00</div><div> 3.069 0.133E+01 0.133E+01</div><div> 3.119 0.216E+01 0.216E+01</div><div> 3.169 0.301E+01 0.301E+01</div><div> 3.219 0.372E+01 0.372E+01</div><div> 3.269 0.412E+01 0.412E+01</div><div> 3.319 0.413E+01 0.413E+01</div><div> 3.369 0.374E+01 0.374E+01</div><div> 3.419 0.305E+01 0.305E+01</div><div> 3.469 0.222E+01 0.222E+01</div><div> 3.519 0.141E+01 0.141E+01</div><div> 3.569 0.753E+00 0.753E+00</div><div> 3.619 0.299E+00 0.299E+00</div><div> 3.669 0.411E-01 0.411E-01</div><div> 3.719 -0.659E-01 -0.659E-01</div><div> 3.769 -0.797E-01 -0.797E-01</div><div> 3.819 -0.505E-01 -0.505E-01</div><div> 3.869 -0.115E-01 -0.115E-01</div><div> 3.919 0.202E-01 0.202E-01</div><div> 3.969 0.393E-01 0.393E-01</div><div> 4.019 0.469E-01 0.469E-01</div><div> 4.069 0.467E-01 0.467E-01</div><div> 4.119 0.422E-01 0.422E-01</div><div> 4.169 0.362E-01 0.362E-01</div><div> 4.219 0.302E-01 0.302E-01</div><div> 4.269 0.253E-01 0.253E-01</div><div> 4.319 0.219E-01 0.219E-01</div><div> 4.369 0.200E-01 0.200E-01</div><div> 4.419 0.194E-01 0.194E-01</div><div> 4.469 0.197E-01 0.197E-01</div><div> 4.519 0.206E-01 0.206E-01</div><div> 4.569 0.218E-01 0.218E-01</div><div> 4.619 0.232E-01 0.232E-01</div><div> 4.669 0.248E-01 0.248E-01</div><div> 4.719 0.262E-01 0.262E-01</div><div> 4.769 0.269E-01 0.269E-01</div><div> 4.819 0.263E-01 0.263E-01</div><div> 4.869 0.241E-01 0.241E-01</div><div> 4.919 0.208E-01 0.208E-01</div><div> 4.969 0.169E-01 0.169E-01</div><div> 5.019 0.139E-01 0.139E-01</div><div> 5.069 0.129E-01 0.129E-01</div><div> 5.119 0.148E-01 0.148E-01</div><div> 5.169 0.202E-01 0.202E-01</div><div> 5.219 0.290E-01 0.290E-01</div><div> 5.269 0.405E-01 0.405E-01</div><div> 5.319 0.537E-01 0.537E-01</div><div> 5.369 0.673E-01 0.673E-01</div><div> 5.419 0.802E-01 0.802E-01</div><div> 5.469 0.914E-01 0.914E-01</div><div> 5.519 0.101E+00 0.101E+00</div><div> 5.569 0.107E+00 0.107E+00</div><div> 5.619 0.111E+00 0.111E+00</div><div> 5.669 0.112E+00 0.112E+00</div><div> 5.719 0.110E+00 0.110E+00</div><div> 5.769 0.105E+00 0.105E+00</div><div> 5.819 0.961E-01 0.961E-01</div><div> 5.869 0.846E-01 0.846E-01</div><div> 5.919 0.710E-01 0.710E-01</div><div> 5.969 0.562E-01 0.562E-01</div><div> 6.019 0.414E-01 0.414E-01</div><div> 6.069 0.276E-01 0.276E-01</div><div> 6.119 0.161E-01 0.161E-01</div><div> 6.169 0.724E-02 0.724E-02</div><div> 6.219 0.137E-02 0.137E-02</div><div> 6.269 -0.187E-02 -0.187E-02</div><div> 6.319 -0.312E-02 -0.312E-02</div><div> 6.369 -0.311E-02 -0.311E-02</div><div> 6.419 -0.249E-02 -0.249E-02</div><div> 6.469 -0.173E-02 -0.173E-02</div><div> 6.519 -0.108E-02 -0.108E-02</div><div> 6.569 -0.606E-03 -0.606E-03</div><div> 6.619 -0.311E-03 -0.311E-03</div><div> 6.669 -0.147E-03 -0.147E-03</div><div> 6.719 -0.640E-04 -0.640E-04</div><div> 6.769 -0.258E-04 -0.258E-04</div><div> 6.819 -0.961E-05 -0.961E-05</div></div><div> </div><div><b style="background-color:rgb(255,0,0)">100lidscf.pdos_atm#109(Li)_wfc#2(p)</b><br></div><div><br></div><div><div># E (eV) ldos(E) pdos(E) pdos(E) pdos(E) </div><div>-19.331 -0.105E-05 -0.104E-05 -0.206E-08 -0.119E-07</div><div>-19.281 -0.274E-05 -0.270E-05 -0.705E-08 -0.338E-07</div><div>-19.231 -0.660E-05 -0.649E-05 -0.225E-07 -0.889E-07</div><div>-19.181 -0.147E-04 -0.144E-04 -0.664E-07 -0.216E-06</div><div>-19.131 -0.303E-04 -0.296E-04 -0.182E-06 -0.486E-06</div><div>-19.081 -0.573E-04 -0.559E-04 -0.464E-06 -0.101E-05</div><div>-19.031 -0.992E-04 -0.962E-04 -0.109E-05 -0.192E-05</div><div>-18.981 -0.156E-03 -0.150E-03 -0.237E-05 -0.334E-05</div><div>-18.931 -0.218E-03 -0.208E-03 -0.471E-05 -0.529E-05</div><div>-18.881 -0.263E-03 -0.247E-03 -0.854E-05 -0.753E-05</div><div>-18.831 -0.252E-03 -0.229E-03 -0.140E-04 -0.942E-05</div><div>-18.781 -0.130E-03 -0.996E-04 -0.203E-04 -0.983E-05</div><div>-18.731 0.168E-03 0.200E-03 -0.251E-04 -0.716E-05</div><div>-18.681 0.695E-03 0.718E-03 -0.239E-04 0.476E-06</div><div>-18.631 0.148E-02 0.148E-02 -0.105E-04 0.150E-04</div><div>-18.581 0.253E-02 0.247E-02 0.221E-04 0.383E-04</div><div>-18.531 0.377E-02 0.362E-02 0.786E-04 0.716E-04</div><div>-18.481 0.513E-02 0.486E-02 0.159E-03 0.116E-03</div><div>-18.431 0.647E-02 0.605E-02 0.254E-03 0.170E-03</div><div>-18.381 0.765E-02 0.707E-02 0.352E-03 0.233E-03</div><div>-18.331 0.853E-02 0.779E-02 0.434E-03 0.301E-03</div><div>-18.281 0.900E-02 0.814E-02 0.488E-03 0.366E-03</div><div>-18.231 0.903E-02 0.809E-02 0.508E-03 0.424E-03</div><div>-18.181 0.865E-02 0.769E-02 0.500E-03 0.468E-03</div><div>-18.131 0.799E-02 0.702E-02 0.475E-03 0.495E-03</div><div>-18.081 0.719E-02 0.624E-02 0.449E-03 0.505E-03</div><div>-18.031 0.642E-02 0.548E-02 0.437E-03 0.501E-03</div><div>-17.981 0.586E-02 0.492E-02 0.452E-03 0.491E-03</div><div>-17.931 0.567E-02 0.469E-02 0.500E-03 0.483E-03</div><div>-17.881 0.602E-02 0.495E-02 0.581E-03 0.485E-03</div><div>-17.831 0.701E-02 0.581E-02 0.692E-03 0.507E-03</div><div>-17.781 0.871E-02 0.734E-02 0.824E-03 0.551E-03</div><div>-17.731 0.111E-01 0.953E-02 0.971E-03 0.616E-03</div><div>-17.681 0.141E-01 0.123E-01 0.113E-02 0.698E-03</div><div>-17.631 0.175E-01 0.154E-01 0.131E-02 0.793E-03</div><div>-17.581 0.211E-01 0.187E-01 0.150E-02 0.902E-03</div><div>-17.531 0.245E-01 0.218E-01 0.170E-02 0.103E-02</div><div>-17.481 0.276E-01 0.245E-01 0.188E-02 0.118E-02</div><div>-17.431 0.300E-01 0.266E-01 0.202E-02 0.136E-02</div><div>-17.381 0.315E-01 0.278E-01 0.210E-02 0.158E-02</div><div>-17.331 0.321E-01 0.282E-01 0.211E-02 0.182E-02</div><div>-17.281 0.319E-01 0.278E-01 0.208E-02 0.207E-02</div><div>-17.231 0.311E-01 0.267E-01 0.205E-02 0.229E-02</div><div>-17.181 0.298E-01 0.253E-01 0.207E-02 0.245E-02</div><div>-17.131 0.283E-01 0.236E-01 0.219E-02 0.250E-02</div><div>-17.081 0.267E-01 0.219E-01 0.242E-02 0.243E-02</div><div>-17.031 0.250E-01 0.200E-01 0.275E-02 0.224E-02</div><div>-16.981 0.233E-01 0.182E-01 0.315E-02 0.195E-02</div><div>-16.931 0.216E-01 0.164E-01 0.355E-02 0.163E-02</div><div>-16.881 0.199E-01 0.147E-01 0.389E-02 0.133E-02</div><div>-16.831 0.182E-01 0.130E-01 0.412E-02 0.112E-02</div><div>-16.781 0.167E-01 0.115E-01 0.420E-02 0.104E-02</div><div>-16.731 0.155E-01 0.103E-01 0.415E-02 0.109E-02</div><div>-16.681 0.148E-01 0.957E-02 0.400E-02 0.127E-02</div><div>-16.631 0.148E-01 0.952E-02 0.377E-02 0.153E-02</div><div>-16.581 0.157E-01 0.104E-01 0.350E-02 0.184E-02</div><div>-16.531 0.176E-01 0.123E-01 0.320E-02 0.215E-02</div><div>-16.481 0.207E-01 0.153E-01 0.291E-02 0.246E-02</div><div>-16.431 0.251E-01 0.196E-01 0.270E-02 0.279E-02</div><div>-16.381 0.306E-01 0.248E-01 0.263E-02 0.314E-02</div><div>-16.331 0.370E-01 0.307E-01 0.277E-02 0.353E-02</div><div>-16.281 0.438E-01 0.367E-01 0.314E-02 0.397E-02</div><div>-16.231 0.500E-01 0.419E-01 0.371E-02 0.441E-02</div><div>-16.181 0.548E-01 0.456E-01 0.438E-02 0.479E-02</div><div>-16.131 0.572E-01 0.471E-01 0.504E-02 0.504E-02</div><div>-16.081 0.567E-01 0.461E-01 0.556E-02 0.508E-02</div><div>-16.031 0.533E-01 0.426E-01 0.583E-02 0.490E-02</div><div>-15.981 0.475E-01 0.372E-01 0.584E-02 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0.355E+00</div><div> 4.569 0.117E+01 0.547E-01 0.766E+00 0.352E+00</div><div> 4.619 0.171E+01 0.466E-01 0.131E+01 0.352E+00</div><div> 4.669 0.237E+01 0.378E-01 0.194E+01 0.384E+00</div><div> 4.719 0.306E+01 0.308E-01 0.255E+01 0.487E+00</div><div> 4.769 0.370E+01 0.276E-01 0.298E+01 0.692E+00</div><div> 4.819 0.419E+01 0.290E-01 0.314E+01 0.102E+01</div><div> 4.869 0.447E+01 0.348E-01 0.299E+01 0.145E+01</div><div> 4.919 0.457E+01 0.433E-01 0.260E+01 0.193E+01</div><div> 4.969 0.453E+01 0.522E-01 0.210E+01 0.238E+01</div><div> 5.019 0.441E+01 0.594E-01 0.165E+01 0.270E+01</div><div> 5.069 0.425E+01 0.633E-01 0.137E+01 0.282E+01</div><div> 5.119 0.406E+01 0.641E-01 0.129E+01 0.270E+01</div><div> 5.169 0.379E+01 0.633E-01 0.136E+01 0.237E+01</div><div> 5.219 0.345E+01 0.641E-01 0.148E+01 0.191E+01</div><div> 5.269 0.303E+01 0.698E-01 0.155E+01 0.142E+01</div><div> 5.319 0.256E+01 0.832E-01 0.149E+01 0.982E+00</div><div> 5.369 0.208E+01 0.106E+00 0.132E+01 0.658E+00</div><div> 5.419 0.165E+01 0.139E+00 0.105E+01 0.454E+00</div><div> 5.469 0.129E+01 0.180E+00 0.767E+00 0.348E+00</div><div> 5.519 0.104E+01 0.226E+00 0.507E+00 0.307E+00</div><div> 5.569 0.881E+00 0.274E+00 0.307E+00 0.300E+00</div><div> 5.619 0.800E+00 0.318E+00 0.174E+00 0.308E+00</div><div> 5.669 0.770E+00 0.353E+00 0.959E-01 0.321E+00</div><div> 5.719 0.767E+00 0.375E+00 0.553E-01 0.337E+00</div><div> 5.769 0.766E+00 0.379E+00 0.350E-01 0.352E+00</div><div> 5.819 0.751E+00 0.366E+00 0.235E-01 0.362E+00</div><div> 5.869 0.711E+00 0.336E+00 0.153E-01 0.360E+00</div><div> 5.919 0.640E+00 0.292E+00 0.839E-02 0.340E+00</div><div> 5.969 0.543E+00 0.238E+00 0.292E-02 0.301E+00</div><div> 6.019 0.426E+00 0.181E+00 -0.865E-03 0.246E+00</div><div> 6.069 0.304E+00 0.125E+00 -0.297E-02 0.182E+00</div><div> 6.119 0.191E+00 0.757E-01 -0.373E-02 0.119E+00</div><div> 6.169 0.980E-01 0.369E-01 -0.361E-02 0.647E-01</div><div> 6.219 0.315E-01 0.101E-01 -0.305E-02 0.244E-01</div><div> 6.269 -0.846E-02 -0.536E-02 -0.235E-02 -0.753E-03</div><div> 6.319 -0.266E-01 -0.119E-01 -0.168E-02 -0.130E-01</div><div> 6.369 -0.299E-01 -0.127E-01 -0.113E-02 -0.161E-01</div><div> 6.419 -0.254E-01 -0.105E-01 -0.714E-03 -0.142E-01</div><div> 6.469 -0.183E-01 -0.743E-02 -0.424E-03 -0.105E-01</div><div> 6.519 -0.117E-01 -0.467E-02 -0.236E-03 -0.676E-02</div><div> 6.569 -0.670E-02 -0.265E-02 -0.122E-03 -0.392E-02</div><div> 6.619 -0.350E-02 -0.137E-02 -0.595E-04 -0.207E-02</div><div> 6.669 -0.168E-02 -0.653E-03 -0.269E-04 -0.998E-03</div><div> 6.719 -0.740E-03 -0.286E-03 -0.114E-04 -0.443E-03</div><div> 6.769 -0.302E-03 -0.116E-03 -0.446E-05 -0.181E-03</div><div> 6.819 -0.114E-03 -0.433E-04 -0.163E-05 -0.687E-04</div></div><div><br></div><div><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">BEST REGARDS,</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">RAJKAMAL.A.</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">RS,(SRM UNIV).</font></em></div></div></div>
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