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8.5 Other tools

Code sumpdos.x can be used to sum selected PDOS, produced by projwfc.x, by specifying the names of files containing the desired PDOS. Type sumpdos.x -h or look into the source code for more details.

Code epsilon.x calculates RPA frequency-dependent complex dielectric function. Documentation is in Doc/eps_man.tex.

The code path_int.x is intended to be used in the framework of NEB calculations. It is a tool to generate a new path (what is actually generated is the restart file) starting from an old one through interpolation (cubic splines). The new path can be discretized with a different number of images (this is its main purpose), images are equispaced and the interpolation can be also performed on a subsection of the old path. The input file needed by path_int.x can be easily set up with the help of the self-explanatory path_int.sh shell script.



Build Daemon user 2012-05-24