Hi,
i would like to optimize my PtSi orthorhombic structure. How can i optimize lattice parameters of my structure. If i use volume=(a^3)*(b/a)*(c/a) how would the Kpoints file looks like. Should the second and third terms be much bigger than the first parameter in the Kpoints file.
Thanks.
orthorhombic lattice parameter optimization
Moderators: Global Moderator, Moderator
-
vaspmpi
orthorhombic lattice parameter optimization
Last edited by vaspmpi on Thu Nov 01, 2012 3:56 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: orthorhombic lattice parameter optimization
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