Feff84 Cu ldos00.dat

From FEFF

This is an example LDOS output file for the absorbing Cu atom from FEFF84.

#  Fermi level (eV):  -3.777
#  Charge transfer :   0.000
#    Electron counts for each orbital momentum:
#       0      0.000
#       1      0.000
#       2      0.000
#       3      0.000
#  Number of atoms in cluster:   0
#  Lorentzian broadening with HWHH     0.1000 eV
# -----------------------------------------------------------------------
#      e        sDOS           pDOS          dDOS          fDOS    @#
  -30.0000  1.845844E-04  3.330495E-04  1.415840E-03  1.720751E-04
  -29.8750  1.870251E-04  3.353785E-04  1.436315E-03  1.728045E-04
  -29.7500  1.895225E-04  3.377533E-04  1.457266E-03  1.735398E-04
  -29.6250  1.920785E-04  3.401748E-04  1.478706E-03  1.742813E-04
  -29.5000  1.946949E-04  3.426443E-04  1.500654E-03  1.750287E-04
  -29.3750  1.973737E-04  3.451628E-04  1.523124E-03  1.757802E-04
  -29.2500  2.001171E-04  3.477314E-04  1.546133E-03  1.765400E-04
  -29.1250  2.029272E-04  3.503515E-04  1.569700E-03  1.773062E-04
  -29.0000  2.058061E-04  3.530241E-04  1.593843E-03  1.780788E-04
  -28.8750  2.087564E-04  3.557507E-04  1.618581E-03  1.788578E-04
  -28.7500  2.117805E-04  3.585326E-04  1.643934E-03  1.796434E-04
  -28.6250  2.148809E-04  3.613710E-04  1.669923E-03  1.804357E-04
  -28.5000  2.180604E-04  3.642676E-04  1.696570E-03  1.812348E-04
  -28.3750  2.213215E-04  3.672236E-04  1.723898E-03  1.820406E-04
  -28.2500  2.246676E-04  3.702408E-04  1.751930E-03  1.828536E-04
  -28.1250  2.281016E-04  3.733206E-04  1.780692E-03  1.836735E-04
  -28.0000  2.316268E-04  3.764646E-04  1.810210E-03  1.845005E-04
  -27.8750  2.352464E-04  3.796747E-04  1.840509E-03  1.853347E-04
  -27.7500  2.389641E-04  3.829526E-04  1.871620E-03  1.861763E-04
  -27.6250  2.427840E-04  3.863002E-04  1.903572E-03  1.870253E-04
  -27.5000  2.467091E-04  3.897192E-04  1.936395E-03  1.878819E-04
  -27.3750  2.507441E-04  3.932117E-04  1.970122E-03  1.887461E-04
  -27.2500  2.548931E-04  3.967798E-04  2.004787E-03  1.896181E-04
  -27.1250  2.591607E-04  4.004256E-04  2.040426E-03  1.905002E-04
  -27.0000  2.635517E-04  4.041513E-04  2.077077E-03  1.913881E-04
  -26.8750  2.680711E-04  4.079593E-04  2.114778E-03  1.922840E-04
  -26.7500  2.727242E-04  4.118518E-04  2.153571E-03  1.931882E-04
  -26.6250  2.775164E-04  4.158314E-04  2.193499E-03  1.941007E-04
  -26.5000  2.824537E-04  4.199007E-04  2.234608E-03  1.950217E-04
  -26.3750  2.875423E-04  4.240625E-04  2.276944E-03  1.959513E-04
  -26.2500  2.927885E-04  4.283194E-04  2.320559E-03  1.968896E-04
  -26.1250  2.981994E-04  4.326746E-04  2.365504E-03  1.978369E-04
  -26.0000  3.037823E-04  4.371309E-04  2.411836E-03  1.987931E-04
  -25.8750  3.095441E-04  4.416917E-04  2.459613E-03  1.997584E-04
  -25.7500  3.154942E-04  4.463602E-04  2.508896E-03  2.007331E-04
  -25.6250  3.216407E-04  4.511400E-04  2.559751E-03  2.017172E-04
  -25.5000  3.279920E-04  4.560346E-04  2.612246E-03  2.027116E-04
  -25.3750  3.345592E-04  4.610479E-04  2.666453E-03  2.037150E-04
  -25.2500  3.413519E-04  4.661838E-04  2.722448E-03  2.047282E-04
  -25.1250  3.483810E-04  4.714465E-04  2.780312E-03  2.057516E-04
  -25.0000  3.556581E-04  4.768403E-04  2.840131E-03  2.067852E-04
  -24.8750  3.631957E-04  4.823699E-04  2.901994E-03  2.078292E-04
  -24.7500  3.710068E-04  4.880399E-04  2.965997E-03  2.088837E-04
  -24.6250  3.791055E-04  4.938553E-04  3.032241E-03  2.099490E-04
  -24.5000  3.875067E-04  4.998215E-04  3.100834E-03  2.110253E-04
  -24.3750  3.962266E-04  5.059439E-04  3.171888E-03  2.121126E-04
  -24.2500  4.052821E-04  5.122283E-04  3.245525E-03  2.132112E-04
  -24.1250  4.146918E-04  5.186808E-04  3.321873E-03  2.143214E-04
  -24.0000  4.244761E-04  5.253078E-04  3.401068E-03  2.154431E-04
  -23.8750  4.346541E-04  5.321160E-04  3.483256E-03  2.165769E-04
  -23.7500  4.452494E-04  5.391125E-04  3.568591E-03  2.177228E-04
  -23.6250  4.562862E-04  5.463049E-04  3.657237E-03  2.188810E-04
  -23.5000  4.677907E-04  5.537010E-04  3.749389E-03  2.200518E-04
  -23.3750  4.797912E-04  5.613090E-04  3.845197E-03  2.212354E-04
  -23.2500  4.923178E-04  5.691379E-04  3.944879E-03  2.224321E-04
  -23.1250  5.054036E-04  5.771969E-04  4.048651E-03  2.236420E-04
  -23.0000  5.190839E-04  5.854959E-04  4.156740E-03  2.248655E-04
  -22.8750  5.333974E-04  5.940453E-04  4.269392E-03  2.261028E-04
  -22.7500  5.483857E-04  6.028562E-04  4.386870E-03  2.273541E-04
  -22.6250  5.640942E-04  6.119403E-04  4.509458E-03  2.286186E-04
  -22.5000  5.805724E-04  6.213100E-04  4.637458E-03  2.298990E-04
  -22.3750  5.978740E-04  6.309788E-04  4.771197E-03  2.311942E-04
  -22.2500  6.160578E-04  6.409606E-04  4.911027E-03  2.325046E-04
  -22.1250  6.351882E-04  6.512705E-04  5.057327E-03  2.338306E-04
  -22.0000  6.553358E-04  6.619247E-04  5.210506E-03  2.351725E-04
  -21.8750  6.765779E-04  6.729402E-04  5.371007E-03  2.365305E-04
  -21.7500  6.989998E-04  6.843355E-04  5.539307E-03  2.379051E-04
  -21.6250  7.226954E-04  6.961303E-04  5.715926E-03  2.392966E-04
  -21.5000  7.477688E-04  7.083455E-04  5.901425E-03  2.407053E-04
  -21.3750  7.743348E-04  7.210040E-04  6.096415E-03  2.421317E-04
  -21.2500  8.025213E-04  7.341301E-04  6.301559E-03  2.435761E-04
  -21.1250  8.324707E-04  7.477501E-04  6.517583E-03  2.450389E-04
  -21.0000  8.643418E-04  7.618924E-04  6.745275E-03  2.465207E-04
  -20.8750  8.983126E-04  7.765877E-04  6.985497E-03  2.480217E-04
  -20.7500  9.345826E-04  7.918692E-04  7.239195E-03  2.495425E-04
  -20.6250  9.733805E-04  8.077731E-04  7.507401E-03  2.510836E-04
  -20.5000  1.014954E-03  8.243386E-04  7.791253E-03  2.526454E-04
  -20.3750  1.059594E-03  8.416086E-04  8.092001E-03  2.542285E-04
  -20.2500  1.107630E-03  8.596297E-04  8.411023E-03  2.558334E-04
  -20.1250  1.159437E-03  8.784533E-04  8.749841E-03  2.574606E-04
  -20.0000  1.215445E-03  8.981357E-04  9.110138E-03  2.591112E-04
  -19.8750  1.276153E-03  9.187386E-04  9.493783E-03  2.607849E-04
  -19.7500  1.342135E-03  9.403307E-04  9.902850E-03  2.624829E-04
  -19.6250  1.414060E-03  9.629878E-04  1.033965E-02  2.642058E-04
  -19.5000  1.492716E-03  9.867942E-04  1.080677E-02  2.659542E-04
  -19.3750  1.579025E-03  1.011844E-03  1.130709E-02  2.677289E-04
  -19.2500  1.674085E-03  1.038242E-03  1.184386E-02  2.695308E-04
  -19.1250  1.779204E-03  1.066108E-03  1.242073E-02  2.713605E-04
  -19.0000  1.895952E-03  1.095576E-03  1.304183E-02  2.732191E-04
  -18.8750  2.026252E-03  1.126797E-03  1.371180E-02  2.751073E-04
  -18.7500  2.172434E-03  1.159947E-03  1.443597E-02  2.770262E-04
  -18.6250  2.337391E-03  1.195224E-03  1.522035E-02  2.789768E-04
  -18.5000  2.524734E-03  1.232861E-03  1.607187E-02  2.809602E-04
  -18.3750  2.739039E-03  1.273128E-03  1.699844E-02  2.829775E-04
  -18.2500  2.986172E-03  1.316342E-03  1.800921E-02  2.850301E-04
  -18.1250  3.273773E-03  1.362881E-03  1.911476E-02  2.871192E-04
  -18.0000  3.611973E-03  1.413197E-03  2.032737E-02  2.892462E-04
  -17.8750  4.014473E-03  1.467841E-03  2.166143E-02  2.914128E-04
  -17.7500  4.500236E-03  1.527490E-03  2.313379E-02  2.936206E-04
  -17.6250  5.096228E-03  1.592996E-03  2.476438E-02  2.958715E-04
  -17.5000  5.842042E-03  1.665446E-03  2.657683E-02  2.981662E-04
  -17.3750  6.798097E-03  1.746266E-03  2.859942E-02  3.005096E-04
  -17.2500  8.061071E-03  1.837385E-03  3.086615E-02  3.029028E-04
  -17.1250  9.795168E-03  1.941505E-03  3.341824E-02  3.053487E-04
  -17.0000  1.230173E-02  2.062613E-03  3.630609E-02  3.078505E-04
  -16.8750  1.619461E-02  2.207004E-03  3.959186E-02  3.104120E-04
  -16.7500  2.292381E-02  2.385629E-03  4.335305E-02  3.130383E-04
  -16.6250  3.676290E-02  2.620670E-03  4.768757E-02  3.157326E-04
  -16.5000  7.474535E-02  2.969846E-03  5.272132E-02  3.207320E-04
  -16.3750  1.750925E-01  3.615409E-03  5.862173E-02  3.203546E-04
  -16.2500  2.444053E-01  4.776866E-03  6.561966E-02  3.242104E-04
  -16.1250  2.605704E-01  6.411023E-03  7.402517E-02  3.274664E-04
  -16.0000  2.579245E-01  8.431876E-03  8.424984E-02  3.307941E-04
  -15.8750  2.493856E-01  1.078208E-02  9.685220E-02  3.343895E-04
  -15.7500  2.392849E-01  1.342145E-02  1.126088E-01  3.383287E-04
  -15.6250  2.291532E-01  1.631940E-02  1.326264E-01  3.426948E-04
  -15.5000  2.195331E-01  1.945105E-02  1.585258E-01  3.475776E-04
  -15.3750  2.105919E-01  2.279524E-02  1.927547E-01  3.530730E-04
  -15.2500  2.023491E-01  2.633322E-02  2.391453E-01  3.592816E-04
  -15.1250  1.947671E-01  3.004799E-02  3.039581E-01  3.663088E-04
  -15.0000  1.877891E-01  3.392377E-02  3.979598E-01  3.742638E-04
  -14.8750  1.813543E-01  3.794570E-02  5.408769E-01  3.832604E-04
  -14.7500  1.754049E-01  4.209960E-02  7.718496E-01  3.934117E-04
  -14.6250  1.698885E-01  4.637186E-02  1.176959E+00  4.048371E-04
  -14.5000  1.647587E-01  5.074932E-02  1.973094E+00  4.176573E-04
  -14.3750  1.599745E-01  5.521917E-02  3.813638E+00  4.319947E-04
  -14.2500  1.555001E-01  5.976900E-02  9.056692E+00  4.479723E-04
  -14.1250  1.513046E-01  6.438670E-02  2.194117E+01  4.657188E-04
  -14.0000  1.473607E-01  6.906038E-02  1.624111E+01  4.853597E-04
  -13.8750  1.436444E-01  7.377847E-02  6.574799E+00  5.070232E-04
  -13.7500  1.401350E-01  7.852992E-02  3.217953E+00  5.308384E-04
  -13.6250  1.368139E-01  8.330377E-02  1.882670E+00  5.569348E-04
  -13.5000  1.336650E-01  8.808944E-02  1.239189E+00  5.854428E-04
  -13.3750  1.306738E-01  9.287669E-02  8.833855E-01  6.164929E-04
  -13.2500  1.278275E-01  9.765567E-02  6.665736E-01  6.502162E-04
  -13.1250  1.251148E-01  1.024169E-01  5.247285E-01  6.867436E-04
  -13.0000  1.225256E-01  1.071512E-01  4.267997E-01  7.262062E-04
  -12.8750  1.200505E-01  1.118500E-01  3.562938E-01  7.687348E-04
  -12.7500  1.176815E-01  1.165049E-01  3.038011E-01  8.144602E-04
  -12.6250  1.154110E-01  1.211081E-01  2.636381E-01  8.635127E-04
  -12.5000  1.132324E-01  1.256523E-01  2.322066E-01  9.160223E-04
  -12.3750  1.111396E-01  1.301305E-01  2.071382E-01  9.721186E-04
  -12.2500  1.091271E-01  1.345363E-01  1.868215E-01  1.031930E-03
  -12.1250  1.071898E-01  1.388634E-01  1.701288E-01  1.095586E-03
  -12.0000  1.053231E-01  1.431064E-01  1.562515E-01  1.163213E-03
  -11.8750  1.035228E-01  1.472602E-01  1.445971E-01  1.234938E-03
  -11.7500  1.017850E-01  1.513201E-01  1.347233E-01  1.310887E-03
  -11.6250  1.001062E-01  1.552820E-01  1.262942E-01  1.391186E-03
  -11.5000  9.848306E-02  1.591420E-01  1.190512E-01  1.475958E-03
  -11.3750  9.691263E-02  1.628970E-01  1.127921E-01  1.565326E-03
  -11.2500  9.539208E-02  1.665439E-01  1.073572E-01  1.659412E-03
  -11.1250  9.391882E-02  1.700802E-01  1.026188E-01  1.758337E-03
  -11.0000  9.249047E-02  1.735040E-01  9.847371E-02  1.862221E-03
  -10.8750  9.110481E-02  1.768136E-01  9.483794E-02  1.971183E-03
  -10.7500  8.975974E-02  1.800076E-01  9.164238E-02  2.085340E-03
  -10.6250  8.845333E-02  1.830851E-01  8.882982E-02  2.204805E-03
  -10.5000  8.718380E-02  1.860453E-01  8.635251E-02  2.329698E-03
  -10.3750  8.594945E-02  1.888881E-01  8.417033E-02  2.460131E-03
  -10.2500  8.474871E-02  1.916133E-01  8.224934E-02  2.596214E-03
  -10.1250  8.358012E-02  1.942212E-01  8.056068E-02  2.738059E-03
  -10.0000  8.244228E-02  1.967123E-01  7.907972E-02  2.885775E-03
   -9.8750  8.133390E-02  1.990874E-01  7.778521E-02  3.039471E-03
   -9.7500  8.025379E-02  2.013474E-01  7.665882E-02  3.199251E-03
   -9.6250  7.920074E-02  2.034936E-01  7.568464E-02  3.365223E-03
   -9.5000  7.817369E-02  2.055273E-01  7.484876E-02  3.537487E-03
   -9.3750  7.717164E-02  2.074501E-01  7.413910E-02  3.716148E-03
   -9.2500  7.619361E-02  2.092636E-01  7.354493E-02  3.901304E-03
   -9.1250  7.523870E-02  2.109698E-01  7.305683E-02  4.093055E-03
   -9.0000  7.430605E-02  2.125705E-01  7.266645E-02  4.291497E-03
   -8.8750  7.339484E-02  2.140679E-01  7.236635E-02  4.496727E-03
   -8.7500  7.250430E-02  2.154641E-01  7.214991E-02  4.708839E-03
   -8.6250  7.163370E-02  2.167613E-01  7.201119E-02  4.927924E-03
   -8.5000  7.078235E-02  2.179619E-01  7.194492E-02  5.154073E-03
   -8.3750  6.994959E-02  2.190682E-01  7.194623E-02  5.387376E-03
   -8.2500  6.913479E-02  2.200827E-01  7.201083E-02  5.627920E-03
   -8.1250  6.833735E-02  2.210078E-01  7.213477E-02  5.875790E-03
   -8.0000  6.755672E-02  2.218460E-01  7.231450E-02  6.131071E-03
   -7.8750  6.679234E-02  2.225997E-01  7.254676E-02  6.393844E-03
   -7.7500  6.604370E-02  2.232716E-01  7.282857E-02  6.664192E-03
   -7.6250  6.531032E-02  2.238642E-01  7.315723E-02  6.942191E-03
   -7.5000  6.459172E-02  2.243797E-01  7.353021E-02  7.227921E-03
   -7.3750  6.388745E-02  2.248208E-01  7.394523E-02  7.521455E-03
   -7.2500  6.319710E-02  2.251898E-01  7.440015E-02  7.822868E-03
   -7.1250  6.252024E-02  2.254894E-01  7.489300E-02  8.132232E-03
   -7.0000  6.185649E-02  2.257219E-01  7.542195E-02  8.449617E-03
   -6.8750  6.120547E-02  2.258894E-01  7.598529E-02  8.775091E-03
   -6.7500  6.056682E-02  2.259947E-01  7.658119E-02  9.108722E-03
   -6.6250  5.994020E-02  2.260401E-01  7.720870E-02  9.450573E-03
   -6.5000  5.932528E-02  2.260276E-01  7.786615E-02  9.800709E-03
   -6.3750  5.872173E-02  2.259595E-01  7.855224E-02  1.015919E-02
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   15.8750  2.370769E-02  9.401471E-02  2.187011E-01  1.886839E-01
   16.0000  2.368081E-02  9.362998E-02  2.186586E-01  1.898652E-01
   16.1250  2.365467E-02  9.324955E-02  2.186068E-01  1.910410E-01
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   16.7500  2.353468E-02  9.141077E-02  2.182116E-01  1.968317E-01
   16.8750  2.351276E-02  9.105548E-02  2.181061E-01  1.979714E-01
   17.0000  2.349150E-02  9.070428E-02  2.179922E-01  1.991047E-01
   17.1250  2.347092E-02  9.035715E-02  2.178697E-01  2.002314E-01
   17.2500  2.345097E-02  9.001411E-02  2.177387E-01  2.013515E-01
   17.3750  2.343166E-02  8.967501E-02  2.175995E-01  2.024648E-01
   17.5000  2.341298E-02  8.933987E-02  2.174521E-01  2.035713E-01
   17.6250  2.339493E-02  8.900868E-02  2.172967E-01  2.046710E-01
   17.7500  2.337749E-02  8.868140E-02  2.171333E-01  2.057634E-01
   17.8750  2.336065E-02  8.835801E-02  2.169621E-01  2.068486E-01
   18.0000  2.334441E-02  8.803848E-02  2.167832E-01  2.079265E-01
   18.1250  2.332875E-02  8.772277E-02  2.165966E-01  2.089970E-01
   18.2500  2.331368E-02  8.741086E-02  2.164026E-01  2.100600E-01
   18.3750  2.329917E-02  8.710272E-02  2.162011E-01  2.111154E-01
   18.5000  2.328522E-02  8.679832E-02  2.159924E-01  2.121631E-01
   18.6250  2.327183E-02  8.649764E-02  2.157764E-01  2.132030E-01
   18.7500  2.325898E-02  8.620065E-02  2.155534E-01  2.142350E-01
   18.8750  2.324667E-02  8.590731E-02  2.153235E-01  2.152590E-01
   19.0000  2.323488E-02  8.561761E-02  2.150866E-01  2.162750E-01
   19.1250  2.322362E-02  8.533151E-02  2.148430E-01  2.172827E-01
   19.2500  2.321286E-02  8.504898E-02  2.145928E-01  2.182823E-01
   19.3750  2.320262E-02  8.477001E-02  2.143360E-01  2.192734E-01
   19.5000  2.319286E-02  8.449456E-02  2.140728E-01  2.202562E-01
   19.6250  2.318360E-02  8.422259E-02  2.138033E-01  2.212304E-01
   19.7500  2.317481E-02  8.395410E-02  2.135276E-01  2.221961E-01
   19.8750  2.316649E-02  8.368904E-02  2.132457E-01  2.231531E-01
   20.0000  2.315864E-02  8.342740E-02  2.129578E-01  2.241013E-01
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