Delete atoms

65 views
Skip to first unread message

almisrati ali

unread,
Oct 1, 2023, 8:12:08 PM10/1/23
to vesta-...@googlegroups.com
Hello everyone, 
I need some assistance please . I would like to know how to permanently delete atoms from a crystal structure. Whenever I use the selection tool to delete atoms, they reappear when I reopen the file. 
when I delete them from the structure parameters. This persistence of atoms is due to the e periodicity of the crystal. In my latest attempt, I exported the file in XYZ format after deleting the atoms, and they were successfully removed. However, when I repened xyz file  and exported  to the  POSCAR  format, the structure appeared inside a box. I'm wondering why this is happening.
Thanks for your help in advance 
Reply all
Reply to author
Forward
0 new messages