Path-Integral md with ABINIT-6.12.2

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
vahid
Posts: 26
Joined: Sat Aug 21, 2010 6:53 pm

Path-Integral md with ABINIT-6.12.2

Post by vahid » Fri Mar 30, 2012 2:21 am

Dear ABINIT Users,

I was wondering if any one has an input file for path-integral md (imgmov 9)? Test 26 in tests/v6/t26.in is an example but the ions don't move as seen from t26.out.

Thanks,
Vahid
Top
Locked

Return to “Ground state”