To get the OMC in VASP 6.5.0

[Asmabi Thottahill]

Hi all,

We would like to study the properties of the Uo2. In order to avoid the metastable states in the Uo2, we need to apply the OMC method. Has anyone here used the OMC in the Uo2 before? How to compile the OMC patch files with the VASP 6.5.0,
Please let me know, I really appreciate this

Thank you.

[alexey.tal]

Dear Asmabi Thottahill,

Thank you for your question.

The Occupation Matrix Control (OMC) method is not currently available in VASP. We are planning to implement it, although there is no timeline for this yet.

I am aware of an OMC implementation patch developed by a group at Trinity College Dublin: https://chemistry.tcd.ie/staff/people/g ... thodology/

However, since this patch was not developed by our team, we are unfortunately unable to provide support for it.

Best wishes,
Alexey

[Asmabi Thottahill]

Hi Alexey,
Thanks for your suggestion. We have implemented the Watson patch files in VASP 5.4.4.
I am just checking that. Is the VASP 6.5.1 available online?

Regards
Asmabi Thottathil