surface energy

External optional components of Abinit (BigDFT, Wannier90, ...) and codes using / providing data from / to Abinit (AtomPAW, EXC, DP, SAX, WanT, Yambo, ...).

Moderator: rangel

surface energy

Postby saikrishna » Thu Jul 11, 2019 10:28 am

I am going through the tutorial number and I have a doubt in how the surface relaxation energy and non-relaxation energy are computed from the total energy?

Thanks in advance
Sai krishna
Posts: 8
Joined: Fri Jun 21, 2019 12:11 pm

Return to Link to other codes

Who is online

Users browsing this forum: No registered users and 1 guest