What are the units of SMASS?

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
xamnidar
Newbie
Newbie
Posts: 12
Joined: Tue Nov 15, 2011 8:50 pm

What are the units of SMASS?

#1 Post by xamnidar » Thu Dec 05, 2013 11:50 pm

When using a Nose thermostat, what are the units of SMASS? According to J. Chem. Phys. 81 511 (1984), it should be of dimension energy * time^2. There doesn't seem to be any mention of the units in the manual.
Last edited by xamnidar on Thu Dec 05, 2013 11:50 pm, edited 1 time in total.
Top
xamnidar
Newbie
Newbie
Posts: 12
Joined: Tue Nov 15, 2011 8:50 pm

What are the units of SMASS?

#2 Post by xamnidar » Fri Jan 10, 2014 12:58 am

After looking at the source code, I believe that SMASS is in units of

atomic mass units * (length of first lattice vector)^2
Last edited by xamnidar on Fri Jan 10, 2014 12:58 am, edited 1 time in total.
Top
Post Reply

Return to “Using VASP”