On Mon, 5 Jun 2006, bipul rakshit wrote: | Sir , can you tell me one thing. There is a string in *.fdf file, which is an input file for fcbuild and vibrator | | SuperCell_1 0 | SuperCell_2 0 | SuperCell_3 0 | What was that????
Bipul: This is decribed on p.1 (Introduction) of User's Guide to Vibra. You need SuperCell > 0 only if you want to calculate the dispersion. Your problem seems to be with Gamma phonon already, so don't worry about the SuperCell_. | And one more thing how to displace all the atoms. i.e. is there any command which can be used in *.fdf file, so that all the atoms can be displaced.. Yes: AtomicCoordinatesOrigin Good luck, Andrei Postnikov
