Running Feff outside of Demeter

Using a single feffNNNN.dat file

You can import feffNNNN.dat files from a FEFF calculation run outside of DEMETER. Explicitly specify the folder and file.

  $path -> new(data     => $data,
               folder   => './',
               file     => 'feff0001.dat',
               s02      => 'amp',
               e0       => 'enot',
               delr     => 'alpha*reff',
               sigma2   => 'debye(temp, theta) + sigmm',
              );

Importing an external Feff calculation

Document Demeter::Feff::External