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Organic Molecule On Crystal...

Posted: Mon Oct 15, 2012 11:49 am
by danith
Hi everyone,

Im trying to do a calculation of an organic molecule on crystal (MoO3), but I don't know what is wrong in my system, because my first step was optimize the crystal of MoO3, then I've trying put in the molecule under the crystal, with 2.5 A of distance, but the calculation is wrong, I don't know how I can do it.... Could someone help me with the different steps?.... Please send me the information to rezorva@gmail.com or here, because I've spent two week trying to do it, but finally nothing...

Re: Organic Molecule On Crystal...

Posted: Thu Sep 12, 2024 8:44 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP