Hello
I'm using VASP software for geometry optimization and PXRD simulation pattern generation. I upload a structure of the molecule as xyz. file. When ever I apply the?create a periodic copy?and set the cell parameters for hexagonal Bravais lattice by utilizing the parameters to??x=y=20 A, z= 6 A and alpha=beta=90 degree and gamma=120 degree, then the symmetry of the structure changes to?P1 symmetry?(default symmetry). And?I'm not able to change the symmetry (P6/mmm)?or some other.
Thanking you
----------------------------------------------------
Sudhir Kumar
School of Physical Sciences
Jawaharlal Nehru University
New Delhi 110067
Problem in symmetry fixing
Moderators: Global Moderator, Moderator
-
sudhir
- Newbie
- Posts: 4
- Joined: Mon Jul 14, 2014 4:16 pm
Problem in symmetry fixing
Last edited by sudhir on Thu Jul 17, 2014 6:24 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Problem in symmetry fixing
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