Dear Vasp users,
I perform the molecular dynamics calculations of a crystal and I need information on the velocities of atoms by every MD step. Whether it is possible to get this data? I would be thankful for possible help.
Bandri
Velocities output by every MD step
Moderators: Global Moderator, Moderator
-
bandri
- Newbie
- Posts: 15
- Joined: Wed Oct 29, 2008 6:44 pm
- License Nr.: 933
- Location: Sniadeckich street 2, PL-75-453 Koszalin, Poland
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Re: Velocities output by every MD step
Velocities are not stored. When necessary they are derived from atomic positions in XDATCAR.
Vasp users developed several codes for this purpose. Check older discussions in vasp forum.
Vasp users developed several codes for this purpose. Check older discussions in vasp forum.