[ase-users] build surface of hcp structure
Jing Guo
guojing861014 at yahoo.com
Mon Sep 23 12:05:08 CEST 2024
Hi,
I am new to ASE. I am trying to build a non-common (102) surface of hcp pure Mg using ASE. I used the following code trying to achieve this (from the online manual):
s = surface('Mg', (1,0,2), 9)
However, the error showed up:
RuntimeError: Cannot create cubic cell for hcp structure
>From the online manual, it says that 'It is constructed upon the Miller Indices defining the surface and can be used for both fcc, bcc and hcp structures'
Anyone can help me with this? Thank you very much!
Kind regards,Jing
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20240923/50718475/attachment.htm>
More information about the ase-users
mailing list