Feff84 GeH4 ldos01.dat

From FEFF

This is an example LDOS output file for the H atoms from FEFF84.

#  fermi level (ev):  -6.343
#  charge transfer :  -0.030
#    electron counts for each orbital momentum:
#       0      0.960
#       1      0.071
#       2      0.000
#       3      0.000
#  number of atoms in cluster:   5
#  lorentzian broadening with hwhh     0.1000 ev
# -----------------------------------------------------------------------
#      e        sdos           pdos          ddos          fdos    @#
  -10.0000  2.559339e+00  1.117686e-01  0.000000e+00  0.000000e+00
   -9.8500  7.137526e-01  3.173290e-02  0.000000e+00  0.000000e+00
   -9.7000  2.475098e-01  1.161058e-02  0.000000e+00  0.000000e+00
   -9.5500  1.094856e-01  5.564347e-03  0.000000e+00  0.000000e+00
   -9.4000  6.763659e-02 -1.135673e-03  0.000000e+00  0.000000e+00
   -9.2500  8.055945e-02  5.427944e-02  0.000000e+00  0.000000e+00
   -9.1000  4.433260e-02  4.813712e-03  0.000000e+00  0.000000e+00
   -8.9500  4.093232e-02  4.938974e-03  0.000000e+00  0.000000e+00
   -8.8000  4.050574e-02  5.672642e-03  0.000000e+00  0.000000e+00
   -8.6500  4.024692e-02  6.399585e-03  0.000000e+00  0.000000e+00
   -8.5000  3.988173e-02  7.075470e-03  0.000000e+00  0.000000e+00
   -8.3500  3.942514e-02  7.790043e-03  0.000000e+00  0.000000e+00
   -8.2000  3.889712e-02  8.524933e-03  0.000000e+00  0.000000e+00
   -8.0500  3.833759e-02  9.301813e-03  0.000000e+00  0.000000e+00
   -7.9000  3.777279e-02  1.012289e-02  0.000000e+00  0.000000e+00
   -7.7500  3.723065e-02  1.100361e-02  0.000000e+00  0.000000e+00
   -7.6000  3.672808e-02  1.194587e-02  0.000000e+00  0.000000e+00
   -7.4500  3.627988e-02  1.295582e-02  0.000000e+00  0.000000e+00
   -7.3000  3.589932e-02  1.404027e-02  0.000000e+00  0.000000e+00
   -7.1500  3.559671e-02  1.520367e-02  0.000000e+00  0.000000e+00
   -7.0000  3.538113e-02  1.644986e-02  0.000000e+00  0.000000e+00
   -6.8500  3.526207e-02  1.778392e-02  0.000000e+00  0.000000e+00
   -6.7000  3.524818e-02  1.920976e-02  0.000000e+00  0.000000e+00
   -6.5500  3.534807e-02  2.073087e-02  0.000000e+00  0.000000e+00
   -6.4000  3.557075e-02  2.235065e-02  0.000000e+00  0.000000e+00
   -6.2500  3.592456e-02  2.407096e-02  0.000000e+00  0.000000e+00
   -6.1000  3.641915e-02  2.589416e-02  0.000000e+00  0.000000e+00
   -5.9500  3.706330e-02  2.782093e-02  0.000000e+00  0.000000e+00
   -5.8000  3.786613e-02  2.985096e-02  0.000000e+00  0.000000e+00
   -5.6500  3.883631e-02  3.198279e-02  0.000000e+00  0.000000e+00
   -5.5000  3.998142e-02  3.421316e-02  0.000000e+00  0.000000e+00
   -5.3500  4.130788e-02  3.653674e-02  0.000000e+00  0.000000e+00
   -5.2000  4.282020e-02  3.894614e-02  0.000000e+00  0.000000e+00
   -5.0500  4.452004e-02  4.143122e-02  0.000000e+00  0.000000e+00
   -4.9000  4.640550e-02  4.397908e-02  0.000000e+00  0.000000e+00
   -4.7500  4.846978e-02  4.657366e-02  0.000000e+00  0.000000e+00
   -4.6000  5.070110e-02  4.919581e-02  0.000000e+00  0.000000e+00
   -4.4500  5.308088e-02  5.182327e-02  0.000000e+00  0.000000e+00
   -4.3000  5.558366e-02  5.443090e-02  0.000000e+00  0.000000e+00
   -4.1500  5.817653e-02  5.699120e-02  0.000000e+00  0.000000e+00
   -4.0000  6.082002e-02  5.947517e-02  0.000000e+00  0.000000e+00
   -3.8500  6.346799e-02  6.185317e-02  0.000000e+00  0.000000e+00
   -3.7000  6.607048e-02  6.409611e-02  0.000000e+00  0.000000e+00
   -3.5500  6.857472e-02  6.617685e-02  0.000000e+00  0.000000e+00
   -3.4000  7.092923e-02  6.807134e-02  0.000000e+00  0.000000e+00
   -3.2500  7.308575e-02  6.975994e-02  0.000000e+00  0.000000e+00
   -3.1000  7.500255e-02  7.122816e-02  0.000000e+00  0.000000e+00
   -2.9500  7.664636e-02  7.246722e-02  0.000000e+00  0.000000e+00
   -2.8000  7.799435e-02  7.347443e-02  0.000000e+00  0.000000e+00
   -2.6500  7.903420e-02  7.425282e-02  0.000000e+00  0.000000e+00
   -2.5000  7.976423e-02  7.481075e-02  0.000000e+00  0.000000e+00
   -2.3500  8.019199e-02  7.516111e-02  0.000000e+00  0.000000e+00
   -2.2000  8.033268e-02  7.532065e-02  0.000000e+00  0.000000e+00
   -2.0500  8.020746e-02  7.530885e-02  0.000000e+00  0.000000e+00
   -1.9000  7.984141e-02  7.514716e-02  0.000000e+00  0.000000e+00
   -1.7500  7.926180e-02  7.485802e-02  0.000000e+00  0.000000e+00
   -1.6000  7.849678e-02  7.446408e-02  0.000000e+00  0.000000e+00
   -1.4500  7.757407e-02  7.398755e-02  0.000000e+00  0.000000e+00
   -1.3000  7.652001e-02  7.344961e-02  0.000000e+00  0.000000e+00
   -1.1500  7.535927e-02  7.286999e-02  0.000000e+00  0.000000e+00
   -1.0000  7.411421e-02  7.226671e-02  0.000000e+00  0.000000e+00
   -0.8500  7.280493e-02  7.165581e-02  0.000000e+00  0.000000e+00
   -0.7000  7.144908e-02  7.105139e-02  0.000000e+00  0.000000e+00
   -0.5500  7.006211e-02  7.046555e-02  0.000000e+00  0.000000e+00
   -0.4000  6.865713e-02  6.990836e-02  0.000000e+00  0.000000e+00
   -0.2500  6.724541e-02  6.938814e-02  0.000000e+00  0.000000e+00
   -0.1000  6.583633e-02  6.891149e-02  0.000000e+00  0.000000e+00
    0.0500  6.443765e-02  6.848351e-02  0.000000e+00  0.000000e+00
    0.2000  6.305573e-02  6.810800e-02  0.000000e+00  0.000000e+00
    0.3500  6.169569e-02  6.778757e-02  0.000000e+00  0.000000e+00
    0.5000  6.036155e-02  6.752376e-02  0.000000e+00  0.000000e+00
    0.6500  5.905646e-02  6.731741e-02  0.000000e+00  0.000000e+00
    0.8000  5.778274e-02  6.716860e-02  0.000000e+00  0.000000e+00
    0.9500  5.654210e-02  6.707671e-02  0.000000e+00  0.000000e+00
    1.1000  5.533566e-02  6.704088e-02  0.000000e+00  0.000000e+00
    1.2500  5.416413e-02  6.705975e-02  0.000000e+00  0.000000e+00
    1.4000  5.302783e-02  6.713173e-02  0.000000e+00  0.000000e+00
    1.5500  5.192674e-02  6.725502e-02  0.000000e+00  0.000000e+00
    1.7000  5.086066e-02  6.742767e-02  0.000000e+00  0.000000e+00
    1.8500  4.982913e-02  6.764759e-02  0.000000e+00  0.000000e+00
    2.0000  4.883163e-02  6.791267e-02  0.000000e+00  0.000000e+00
    2.1500  4.786739e-02  6.822080e-02  0.000000e+00  0.000000e+00
    2.3000  4.693568e-02  6.856975e-02  0.000000e+00  0.000000e+00
    2.4500  4.603562e-02  6.895746e-02  0.000000e+00  0.000000e+00
    2.6000  4.516632e-02  6.938177e-02  0.000000e+00  0.000000e+00
    2.7500  4.432686e-02  6.984064e-02  0.000000e+00  0.000000e+00
    2.9000  4.351630e-02  7.033201e-02  0.000000e+00  0.000000e+00
    3.0500  4.273372e-02  7.085401e-02  0.000000e+00  0.000000e+00
    3.2000  4.197814e-02  7.140468e-02  0.000000e+00  0.000000e+00
    3.3500  4.124866e-02  7.198221e-02  0.000000e+00  0.000000e+00
    3.5000  4.054435e-02  7.258483e-02  0.000000e+00  0.000000e+00
    3.6500  3.986434e-02  7.321083e-02  0.000000e+00  0.000000e+00
    3.8000  3.920778e-02  7.385856e-02  0.000000e+00  0.000000e+00
    3.9500  3.857380e-02  7.452643e-02  0.000000e+00  0.000000e+00
    4.1000  3.796160e-02  7.521292e-02  0.000000e+00  0.000000e+00
    4.2500  3.737039e-02  7.591658e-02  0.000000e+00  0.000000e+00
    4.4000  3.679943e-02  7.663595e-02  0.000000e+00  0.000000e+00
    4.5500  3.624798e-02  7.736971e-02  0.000000e+00  0.000000e+00
    4.7000  3.571534e-02  7.811649e-02  0.000000e+00  0.000000e+00
    4.8500  3.520085e-02  7.887505e-02  0.000000e+00  0.000000e+00
    5.0000  3.470387e-02  7.964412e-02  0.000000e+00  0.000000e+00
    5.1500  3.422377e-02  8.042253e-02  0.000000e+00  0.000000e+00
    5.3000  3.375999e-02  8.120910e-02  0.000000e+00  0.000000e+00
    5.4500  3.331194e-02  8.200272e-02  0.000000e+00  0.000000e+00
    5.6000  3.287909e-02  8.280229e-02  0.000000e+00  0.000000e+00
    5.7500  3.246092e-02  8.360673e-02  0.000000e+00  0.000000e+00
    5.9000  3.205695e-02  8.441502e-02  0.000000e+00  0.000000e+00
    6.0500  3.166669e-02  8.522614e-02  0.000000e+00  0.000000e+00
    6.2000  3.128971e-02  8.603910e-02  0.000000e+00  0.000000e+00
    6.3500  3.092556e-02  8.685294e-02  0.000000e+00  0.000000e+00
    6.5000  3.057383e-02  8.766669e-02  0.000000e+00  0.000000e+00
    6.6500  3.023412e-02  8.847948e-02  0.000000e+00  0.000000e+00
    6.8000  2.990606e-02  8.929035e-02  0.000000e+00  0.000000e+00
    6.9500  2.958928e-02  9.009843e-02  0.000000e+00  0.000000e+00
    7.1000  2.928343e-02  9.090285e-02  0.000000e+00  0.000000e+00
    7.2500  2.898818e-02  9.170276e-02  0.000000e+00  0.000000e+00
    7.4000  2.870319e-02  9.249734e-02  0.000000e+00  0.000000e+00
    7.5500  2.842816e-02  9.328579e-02  0.000000e+00  0.000000e+00
    7.7000  2.816280e-02  9.406723e-02  0.000000e+00  0.000000e+00
    7.8500  2.790680e-02  9.484096e-02  0.000000e+00  0.000000e+00
    8.0000  2.765990e-02  9.560616e-02  0.000000e+00  0.000000e+00
    8.1500  2.742182e-02  9.636212e-02  0.000000e+00  0.000000e+00
    8.3000  2.719230e-02  9.710811e-02  0.000000e+00  0.000000e+00
    8.4500  2.697109e-02  9.784340e-02  0.000000e+00  0.000000e+00
    8.6000  2.675795e-02  9.856731e-02  0.000000e+00  0.000000e+00
    8.7500  2.655264e-02  9.927915e-02  0.000000e+00  0.000000e+00
    8.9000  2.635493e-02  9.997831e-02  0.000000e+00  0.000000e+00
    9.0500  2.616459e-02  1.006641e-01  0.000000e+00  0.000000e+00
    9.2000  2.598141e-02  1.013360e-01  0.000000e+00  0.000000e+00
    9.3500  2.580517e-02  1.019934e-01  0.000000e+00  0.000000e+00
    9.5000  2.563567e-02  1.026357e-01  0.000000e+00  0.000000e+00
    9.6500  2.547270e-02  1.032624e-01  0.000000e+00  0.000000e+00
    9.8000  2.531606e-02  1.038730e-01  0.000000e+00  0.000000e+00
    9.9500  2.516557e-02  1.044670e-01  0.000000e+00  0.000000e+00
   10.1000  2.502102e-02  1.050440e-01  0.000000e+00  0.000000e+00
   10.2500  2.488224e-02  1.056036e-01  0.000000e+00  0.000000e+00
   10.4000  2.474904e-02  1.061453e-01  0.000000e+00  0.000000e+00
   10.5500  2.462125e-02  1.066689e-01  0.000000e+00  0.000000e+00
   10.7000  2.449867e-02  1.071739e-01  0.000000e+00  0.000000e+00
   10.8500  2.438115e-02  1.076602e-01  0.000000e+00  0.000000e+00
   11.0000  2.426851e-02  1.081274e-01  0.000000e+00  0.000000e+00
   11.1500  2.416058e-02  1.085754e-01  0.000000e+00  0.000000e+00
   11.3000  2.405720e-02  1.090040e-01  0.000000e+00  0.000000e+00
   11.4500  2.395821e-02  1.094129e-01  0.000000e+00  0.000000e+00
   11.6000  2.386344e-02  1.098022e-01  0.000000e+00  0.000000e+00
   11.7500  2.377274e-02  1.101717e-01  0.000000e+00  0.000000e+00
   11.9000  2.368595e-02  1.105214e-01  0.000000e+00  0.000000e+00
   12.0500  2.360294e-02  1.108513e-01  0.000000e+00  0.000000e+00
   12.2000  2.352353e-02  1.111614e-01  0.000000e+00  0.000000e+00
   12.3500  2.344760e-02  1.114518e-01  0.000000e+00  0.000000e+00
   12.5000  2.337499e-02  1.117226e-01  0.000000e+00  0.000000e+00
   12.6500  2.330557e-02  1.119739e-01  0.000000e+00  0.000000e+00
   12.8000  2.323920e-02  1.122059e-01  0.000000e+00  0.000000e+00
   12.9500  2.317574e-02  1.124188e-01  0.000000e+00  0.000000e+00
   13.1000  2.311506e-02  1.126129e-01  0.000000e+00  0.000000e+00
   13.2500  2.305704e-02  1.127884e-01  0.000000e+00  0.000000e+00
   13.4000  2.300155e-02  1.129456e-01  0.000000e+00  0.000000e+00
   13.5500  2.294847e-02  1.130848e-01  0.000000e+00  0.000000e+00
   13.7000  2.289767e-02  1.132064e-01  0.000000e+00  0.000000e+00
   13.8500  2.284906e-02  1.133108e-01  0.000000e+00  0.000000e+00
   14.0000  2.280250e-02  1.133983e-01  0.000000e+00  0.000000e+00
   14.1500  2.275790e-02  1.134694e-01  0.000000e+00  0.000000e+00
   14.3000  2.271515e-02  1.135245e-01  0.000000e+00  0.000000e+00
   14.4500  2.267415e-02  1.135640e-01  0.000000e+00  0.000000e+00
   14.6000  2.263480e-02  1.135885e-01  0.000000e+00  0.000000e+00
   14.7500  2.259700e-02  1.135984e-01  0.000000e+00  0.000000e+00
   14.9000  2.256068e-02  1.135942e-01  0.000000e+00  0.000000e+00
   15.0500  2.252574e-02  1.135764e-01  0.000000e+00  0.000000e+00
   15.2000  2.249209e-02  1.135456e-01  0.000000e+00  0.000000e+00
   15.3500  2.245967e-02  1.135022e-01  0.000000e+00  0.000000e+00
   15.5000  2.242839e-02  1.134468e-01  0.000000e+00  0.000000e+00
   15.6500  2.239818e-02  1.133799e-01  0.000000e+00  0.000000e+00
   15.8000  2.236898e-02  1.133021e-01  0.000000e+00  0.000000e+00
   15.9500  2.234071e-02  1.132138e-01  0.000000e+00  0.000000e+00
   16.1000  2.231333e-02  1.131156e-01  0.000000e+00  0.000000e+00
   16.2500  2.228675e-02  1.130081e-01  0.000000e+00  0.000000e+00
   16.4000  2.226095e-02  1.128917e-01  0.000000e+00  0.000000e+00
   16.5500  2.223587e-02  1.127670e-01  0.000000e+00  0.000000e+00
   16.7000  2.221146e-02  1.126345e-01  0.000000e+00  0.000000e+00
   16.8500  2.218768e-02  1.124946e-01  0.000000e+00  0.000000e+00
   17.0000  2.216447e-02  1.123479e-01  0.000000e+00  0.000000e+00
   17.1500  2.214182e-02  1.121948e-01  0.000000e+00  0.000000e+00
   17.3000  2.211968e-02  1.120358e-01  0.000000e+00  0.000000e+00
   17.4500  2.209801e-02  1.118714e-01  0.000000e+00  0.000000e+00
   17.6000  2.207680e-02  1.117019e-01  0.000000e+00  0.000000e+00
   17.7500  2.205601e-02  1.115279e-01  0.000000e+00  0.000000e+00
   17.9000  2.203562e-02  1.113497e-01  0.000000e+00  0.000000e+00
   18.0500  2.201561e-02  1.111677e-01  0.000000e+00  0.000000e+00
   18.2000  2.199595e-02  1.109823e-01  0.000000e+00  0.000000e+00
   18.3500  2.197664e-02  1.107939e-01  0.000000e+00  0.000000e+00
   18.5000  2.195766e-02  1.106028e-01  0.000000e+00  0.000000e+00
   18.6500  2.193900e-02  1.104093e-01  0.000000e+00  0.000000e+00
   18.8000  2.192064e-02  1.102138e-01  0.000000e+00  0.000000e+00
   18.9500  2.190258e-02  1.100166e-01  0.000000e+00  0.000000e+00
   19.1000  2.188481e-02  1.098179e-01  0.000000e+00  0.000000e+00
   19.2500  2.186732e-02  1.096180e-01  0.000000e+00  0.000000e+00
   19.4000  2.185012e-02  1.094172e-01  0.000000e+00  0.000000e+00
   19.5500  2.183320e-02  1.092157e-01  0.000000e+00  0.000000e+00
   19.7000  2.181655e-02  1.090137e-01  0.000000e+00  0.000000e+00
   19.8500  2.180019e-02  1.088114e-01  0.000000e+00  0.000000e+00
   20.0000  2.178411e-02  1.086090e-01  0.000000e+00  0.000000e+00
   20.1500  2.176833e-02  1.084067e-01  0.000000e+00  0.000000e+00
   20.3000  2.175283e-02  1.082046e-01  0.000000e+00  0.000000e+00
   20.4500  2.173763e-02  1.080030e-01  0.000000e+00  0.000000e+00
   20.6000  2.172274e-02  1.078018e-01  0.000000e+00  0.000000e+00
   20.7500  2.170815e-02  1.076013e-01  0.000000e+00  0.000000e+00
   20.9000  2.169389e-02  1.074015e-01  0.000000e+00  0.000000e+00
   21.0500  2.167996e-02  1.072025e-01  0.000000e+00  0.000000e+00
   21.2000  2.166636e-02  1.070045e-01  0.000000e+00  0.000000e+00
   21.3500  2.165312e-02  1.068074e-01  0.000000e+00  0.000000e+00
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developer's resources