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Computational Material Science

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This page contains information about computational material science codes on the HPCx system.

The link http://www.cmmp.ucl.ac.uk/~lev/codes/index.html takes you to Lev Kantorovich's page describing several codes he has written (available from him on request, his accompanying online manuals for these codes are in the process of being updated). These include various utilities for pre- and post-processing of data for plane-wave DFT codes including CASTEP and VASP. Note that HPCx is not responsible for the content of external sites and any queries should be directed to lev.kantorovitch@kcl.ac.uk.

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