Search found 1 match

by sibud
Sat Aug 27, 2011 8:29 pm
Forum: VTSTTools
Topic: CHGCAR difference for adsorbed molecules on slabs
Replies: 0
Views: 13376

CHGCAR difference for adsorbed molecules on slabs

Dear all,

First of all, I would like to thank you for this great forum.

I am interested to plot the charge density difference for a molecule adsorbed on metal slabs. In order to do that, I write a fortran code inspired from your script chargdiff.pl. The code is doing the difference as follow ...