I am using abinit v 9.6.2. I would like to use the tdep executable to obtain the IFC from a dynamic simulation. As an input, I would like to provide three separated ASCII files fcart.dat, xred.dat and
etot.dat as described here
However, in the same guide, I read
TODO : Explain the extra input variables when the 3 ASCII files are employed.
Please, could you tell me what these variables are and what is the exact format of such ascii files? Is it necessary to provide some header in those files or it is enough to grep out forces, positions and energies and concatenate them?
Thanks a lot in advance!