Dear QE users, I'm trying to view a crystal structure in xcrysden that I have structurally optimized with and without cell relaxation. I would like to compare the bond angles and lengths outputted from the two runs. Is there any way to get xcrysden to output the all the bond angles and lengths rather than me having to do it manually using the 'distance' tab? Better yet can that be done in a post processing suite on QE?
Thanks, Apoorv Apoorv Jain Department of Chemical Engineering and Biotechnology University of Cambridge _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
