HI,
NAMASTEY!
I WANT SOME PARAMETERS AS occopt, rprim, optcell, ionmov, tolmxf, ntime, dilatmax, ecutsm, ixc, kptopt, diemac for Sr Ti O3
AB INITIO CALCULATIONS OF Sr Ti O3
Moderator: bguster
-
avinashdaga2009
- Posts: 4
- Joined: Sun Apr 04, 2010 10:34 am
- Location: Bikaner, Rajasthan, India
Re: AB INITIO CALCULATIONS OF Sr Ti O3
The basic answer is do the tutorials. Eventually look through the test suite input files and the posts on the forum for someone else's input file.
No one will just make your input for you, that's just too hopeful
Matthieu
No one will just make your input for you, that's just too hopeful
Matthieu
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium